/usr/share/gromacs/top/gromos53a6.ff/ffnonbonded.itp is in gromacs-data 5.0.2-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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;name at.num mass charge ptype c6 c12
O 8 0.000 0.000 A 0.0022619536 1e-06
OM 8 0.000 0.000 A 0.0022619536 7.4149321e-07
OA 8 0.000 0.000 A 0.0022619536 1.505529e-06
OE 8 0.000 0.000 A 0.0022619536 1.21e-06
OW 8 0.000 0.000 A 0.0026173456 2.634129e-06
N 7 0.000 0.000 A 0.0024364096 2.319529e-06
NT 7 0.000 0.000 A 0.0024364096 5.0625e-06
NL 7 0.000 0.000 A 0.0024364096 2.319529e-06
NR 7 0.000 0.000 A 0.0024364096 3.389281e-06
NZ 7 0.000 0.000 A 0.0024364096 2.319529e-06
NE 7 0.000 0.000 A 0.0024364096 2.319529e-06
C 6 0.000 0.000 A 0.0023406244 4.937284e-06
CH0 6 0.000 0.000 A 0.0023970816 0.0002053489
CH1 6 0.000 0.000 A 0.00606841 9.70225e-05
CH2 6 0.000 0.000 A 0.0074684164 3.3965584e-05
CH3 6 0.000 0.000 A 0.0096138025 2.6646244e-05
CH4 6 0.000 0.000 A 0.01317904 3.4363044e-05
CH2r 6 0.000 0.000 A 0.0073342096 2.8058209e-05
CR1 6 0.000 0.000 A 0.0055130625 1.5116544e-05
HC 1 0.000 0.000 A 8.464e-05 1.5129e-08
H 1 0.000 0.000 A 0 0
DUM 0 0.000 0.000 A 0 0
S 16 0.000 0.000 A 0.0099840064 1.3075456e-05
CU1+ 29 0.000 0.000 A 0.0004182025 5.1251281e-09
CU2+ 29 0.000 0.000 A 0.0004182025 5.1251281e-09
FE 26 0.000 0.000 A 0 0
ZN2+ 30 0.000 0.000 A 0.0004182025 9.4400656e-09
MG2+ 12 0.000 0.000 A 6.52864e-05 3.4082244e-09
CA2+ 20 0.000 0.000 A 0.00100489 4.9801249e-07
P 15 0.000 0.000 A 0.01473796 2.2193521e-05
AR 18 0.000 0.000 A 0.0062647225 9.847044e-06
F 9 0.000 0.000 A 0.0011778624 7.6073284e-07
CL 17 0.000 0.000 A 0.0087647044 1.5295921e-05
BR 35 0.000 0.000 A 0.02765569 6.5480464e-05
CMet 6 0.000 0.000 A 0.0088755241 1.936e-05
OMet 8 0.000 0.000 A 0.0022619536 2.325625e-06
NA+ 11 0.000 0.000 A 7.2063121e-05 2.1025e-08
CL- 17 0.000 0.000 A 0.01380625 0.0001069156
CChl 6 0.000 0.000 A 0.0026308693 4.064256e-06
CLChl 17 0.000 0.000 A 0.0083066819 1.3764842e-05
HChl 1 0.000 0.000 A 3.76996e-05 4.2999495e-09
SDmso 16 0.000 0.000 A 0.010561673 2.149806e-05
CDmso 6 0.000 0.000 A 0.0096138025 2.6646244e-05
ODmso 8 0.000 0.000 A 0.0022707131 7.5144626e-07
CCl4 6 0.000 0.000 A 0.0026308693 7.5999462e-06
CLCl4 17 0.000 0.000 A 0.0076040144 1.2767758e-05
FTFE 9 0.000 0.000 A 0.0011778624 1e-06
CTFE 6 0.000 0.000 A 0.0023406244 3.374569e-06
CHTFE 6 0.000 0.000 A 0.0071048041 2.5775929e-05
OTFE 8 0.000 0.000 A 0.0022619536 1.505529e-06
CUrea 6 0.000 0.000 A 0.0048868488 1.3589545e-05
OUrea 8 0.000 0.000 A 0.0023639044 1.5898688e-06
NUrea 7 0.000 0.000 A 0.0033527574 3.9509513e-06
SI 14 0.000 0.000 A 0.01473796 2.2193521e-05
MNH3 0 0.000 0.000 A 0.0 0.0
MW 0 0.000 0.000 D 0.0 0.0
[ nonbond_params ]
; i j func c6 c12
OM O 1 0.0022619536 8.611e-07
OA O 1 0.0022619536 1.38651e-06
OA OM 1 0.0022619536 2.258907e-06
OE O 1 0.0022619536 1.1e-06
OE OM 1 0.0022619536 9.4721e-07
OE OA 1 0.0022619536 1.505529e-06
OW O 1 0.0024331696 1.83399e-06
OW OM 1 0.0024331696 2.987943e-06
OW OA 1 0.0024331696 1.991421e-06
OW OE 1 0.0024331696 1.991421e-06
N O 1 0.0023475616 2.19559e-06
N OM 1 0.0023475616 3.577063e-06
N OA 1 0.0023475616 2.384061e-06
N OE 1 0.0023475616 2.384061e-06
N OW 1 0.0025252576 3.153489e-06
NT O 1 0.0023475616 2.5425e-06
NT OM 1 0.0023475616 4.14225e-06
NT OA 1 0.0023475616 2.76075e-06
NT OE 1 0.0023475616 2.76075e-06
NT OW 1 0.0025252576 3.65175e-06
NT N 1 0.0024364096 4.37175e-06
NL O 1 0.0023475616 3.46684e-06
NL OM 1 0.0023475616 9.412624e-06
NL OA 1 0.0023475616 3.764436e-06
NL OE 1 0.0023475616 3.764436e-06
NL OW 1 0.0025252576 4.979364e-06
NL N 1 0.0024364096 2.319529e-06
NL NT 1 0.0024364096 6.903e-06
NR O 1 0.0023475616 2.08033e-06
NR OM 1 0.0023475616 3.389281e-06
NR OA 1 0.0023475616 2.258907e-06
NR OE 1 0.0023475616 2.258907e-06
NR OW 1 0.0025252576 2.987943e-06
NR N 1 0.0024364096 3.577063e-06
NR NT 1 0.0024364096 4.14225e-06
NR NL 1 0.0024364096 5.648188e-06
NZ O 1 0.0023475616 2.42724e-06
NZ OM 1 0.0023475616 6.590064e-06
NZ OA 1 0.0023475616 2.635596e-06
NZ OE 1 0.0023475616 2.635596e-06
NZ OW 1 0.0025252576 3.486204e-06
NZ N 1 0.0024364096 2.319529e-06
NZ NT 1 0.0024364096 4.833e-06
NZ NL 1 0.0024364096 2.319529e-06
NZ NR 1 0.0024364096 3.954468e-06
NE O 1 0.0023475616 2.24192e-06
NE OM 1 0.0023475616 6.086912e-06
NE OA 1 0.0023475616 2.434368e-06
NE OE 1 0.0023475616 2.434368e-06
NE OW 1 0.0025252576 3.220032e-06
NE N 1 0.0024364096 2.319529e-06
NE NT 1 0.0024364096 4.464e-06
NE NL 1 0.0024364096 2.319529e-06
NE NR 1 0.0024364096 3.652544e-06
NE NZ 1 0.0024364096 2.319529e-06
C O 1 0.0023009528 2.222e-06
C OM 1 0.0023009528 1.9133642e-06
C OA 1 0.0023009528 2.4442e-06
C OE 1 0.0023009528 2.4442e-06
C OW 1 0.0024751208 3.606306e-06
C N 1 0.0023880368 3.384106e-06
C NT 1 0.0023880368 3.384106e-06
C NL 1 0.0023880368 3.384106e-06
C NR 1 0.0023880368 3.384106e-06
C NZ 1 0.0023880368 3.384106e-06
C NE 1 0.0023880368 3.384106e-06
CH0 O 1 0.0023285376 1.433e-05
CH0 OM 1 0.0023285376 1.2339563e-05
CH0 OA 1 0.0023285376 1.5763e-05
CH0 OE 1 0.0023285376 1.5763e-05
CH0 OW 1 0.0025047936 2.325759e-05
CH0 N 1 0.0024166656 2.182459e-05
CH0 NT 1 0.0024166656 2.182459e-05
CH0 NL 1 0.0024166656 2.182459e-05
CH0 NR 1 0.0024166656 2.182459e-05
CH0 NZ 1 0.0024166656 2.182459e-05
CH0 NE 1 0.0024166656 2.182459e-05
CH0 C 1 0.0023686848 3.184126e-05
CH1 O 1 0.003704924 9.85e-06
CH1 OM 1 0.003704924 8.481835e-06
CH1 OA 1 0.003704924 1.0835e-05
CH1 OE 1 0.003704924 1.0835e-05
CH1 OW 1 0.003985364 1.598655e-05
CH1 N 1 0.003845144 1.500155e-05
CH1 NT 1 0.003845144 1.500155e-05
CH1 NL 1 0.003845144 1.500155e-05
CH1 NR 1 0.003845144 1.500155e-05
CH1 NZ 1 0.003845144 1.500155e-05
CH1 NE 1 0.003845144 1.500155e-05
CH1 C 1 0.003768802 2.18867e-05
CH1 CH0 1 0.003813984 0.0001411505
CH2 O 1 0.0041101352 5.828e-06
CH2 OM 1 0.0041101352 5.0184908e-06
CH2 OA 1 0.0041101352 6.4108e-06
CH2 OE 1 0.0041101352 6.4108e-06
CH2 OW 1 0.0044212472 9.458844e-06
CH2 N 1 0.0042656912 8.876044e-06
CH2 NT 1 0.0042656912 8.876044e-06
CH2 NL 1 0.0042656912 8.876044e-06
CH2 NR 1 0.0042656912 8.876044e-06
CH2 NZ 1 0.0042656912 8.876044e-06
CH2 NE 1 0.0042656912 8.876044e-06
CH2 C 1 0.0041809996 1.2949816e-05
CH2 CH0 1 0.0042311232 8.351524e-05
CH2 CH1 1 0.006732118 5.74058e-05
CH3 O 1 0.004663258 5.162e-06
CH3 OM 1 0.004663258 4.4449982e-06
CH3 OA 1 0.004663258 5.6782e-06
CH3 OE 1 0.004663258 5.6782e-06
CH3 OW 1 0.005016238 8.377926e-06
CH3 N 1 0.004839748 7.861726e-06
CH3 NT 1 0.004839748 7.861726e-06
CH3 NL 1 0.004839748 7.861726e-06
CH3 NR 1 0.004839748 7.861726e-06
CH3 NZ 1 0.004839748 7.861726e-06
CH3 NE 1 0.004839748 7.861726e-06
CH3 C 1 0.004743659 1.1469964e-05
CH3 CH0 1 0.004800528 7.397146e-05
CH3 CH1 1 0.007638095 5.08457e-05
CH3 CH2 1 0.008473481 3.0084136e-05
CH4 O 1 0.005459888 5.862e-06
CH4 OM 1 0.005459888 5.0477682e-06
CH4 OA 1 0.005459888 6.4482e-06
CH4 OE 1 0.005459888 6.4482e-06
CH4 OW 1 0.005873168 9.514026e-06
CH4 N 1 0.005666528 8.927826e-06
CH4 NT 1 0.005666528 8.927826e-06
CH4 NL 1 0.005666528 8.927826e-06
CH4 NR 1 0.005666528 8.927826e-06
CH4 NZ 1 0.005666528 8.927826e-06
CH4 NE 1 0.005666528 8.927826e-06
CH4 C 1 0.005554024 1.3025364e-05
CH4 CH0 1 0.005620608 8.400246e-05
CH4 CH1 1 0.00894292 5.77407e-05
CH4 CH2 1 0.009921016 3.4163736e-05
CH4 CH3 1 0.01125614 3.0259644e-05
CH2r O 1 0.0040730384 5.297e-06
CH2r OM 1 0.0040730384 4.5612467e-06
CH2r OA 1 0.0040730384 5.8267e-06
CH2r OE 1 0.0040730384 5.8267e-06
CH2r OW 1 0.0043813424 8.597031e-06
CH2r N 1 0.0042271904 8.067331e-06
CH2r NT 1 0.0042271904 8.067331e-06
CH2r NL 1 0.0042271904 8.067331e-06
CH2r NR 1 0.0042271904 8.067331e-06
CH2r NZ 1 0.0042271904 8.067331e-06
CH2r NE 1 0.0042271904 8.067331e-06
CH2r C 1 0.0041432632 1.1769934e-05
CH2r CH0 1 0.0041929344 7.590601e-05
CH2r CH1 1 0.006671356 5.217545e-05
CH2r CH2 1 0.0074010088 3.0870916e-05
CH2r CH3 1 0.008397002 2.7343114e-05
CH2r CH4 1 0.009831472 3.1051014e-05
CR1 O 1 0.00353133 3.888e-06
CR1 OM 1 0.00353133 3.3479568e-06
CR1 OA 1 0.00353133 4.2768e-06
CR1 OE 1 0.00353133 4.2768e-06
CR1 OW 1 0.00379863 6.310224e-06
CR1 N 1 0.00366498 5.921424e-06
CR1 NT 1 0.00366498 5.921424e-06
CR1 NL 1 0.00366498 5.921424e-06
CR1 NR 1 0.00366498 5.921424e-06
CR1 NZ 1 0.00366498 5.921424e-06
CR1 NE 1 0.00366498 5.921424e-06
CR1 C 1 0.003592215 8.639136e-06
CR1 CH0 1 0.00363528 5.571504e-05
CR1 CH1 1 0.005784075 3.82968e-05
CR1 CH2 1 0.006416685 2.2659264e-05
CR1 CH3 1 0.0072802125 2.0069856e-05
CR1 CH4 1 0.0085239 2.2791456e-05
CR1 CH2r 1 0.00635877 2.0594736e-05
HC O 1 0.000437552 1.23e-07
HC OM 1 0.000437552 1.059153e-07
HC OA 1 0.000437552 1.353e-07
HC OE 1 0.000437552 1.353e-07
HC OW 1 0.000470672 1.99629e-07
HC N 1 0.000454112 1.87329e-07
HC NT 1 0.000454112 1.87329e-07
HC NL 1 0.000454112 1.87329e-07
HC NR 1 0.000454112 1.87329e-07
HC NZ 1 0.000454112 1.87329e-07
HC NE 1 0.000454112 1.87329e-07
HC C 1 0.000445096 2.73306e-07
HC CH0 1 0.000450432 1.76259e-06
HC CH1 1 0.00071668 1.21155e-06
HC CH2 1 0.000795064 7.16844e-07
HC CH3 1 0.00090206 6.34926e-07
HC CH4 1 0.00105616 7.21026e-07
HC CH2r 1 0.000787888 6.51531e-07
HC CR1 1 0.0006831 4.78224e-07
H O 1 0 0
H OM 1 0 0
H OA 1 0 0
H OE 1 0 0
H OW 1 0 0
H N 1 0 0
H NT 1 0 0
H NL 1 0 0
H NR 1 0 0
H NZ 1 0 0
H NE 1 0 0
H C 1 0 0
H CH0 1 0 0
H CH1 1 0 0
H CH2 1 0 0
H CH3 1 0 0
H CH4 1 0 0
H CH2r 1 0 0
H CR1 1 0 0
H HC 1 0 0
DUM O 1 0 0
DUM OM 1 0 0
DUM OA 1 0 0
DUM OE 1 0 0
DUM OW 1 0 0
DUM N 1 0 0
DUM NT 1 0 0
DUM NL 1 0 0
DUM NR 1 0 0
DUM NZ 1 0 0
DUM NE 1 0 0
DUM C 1 0 0
DUM CH0 1 0 0
DUM CH1 1 0 0
DUM CH2 1 0 0
DUM CH3 1 0 0
DUM CH4 1 0 0
DUM CH2r 1 0 0
DUM CR1 1 0 0
DUM HC 1 0 0
DUM H 1 0 0
S O 1 0.0047521952 3.616e-06
S OM 1 0.0047521952 3.1137376e-06
S OA 1 0.0047521952 3.9776e-06
S OE 1 0.0047521952 3.9776e-06
S OW 1 0.0051119072 5.868768e-06
S N 1 0.0049320512 5.507168e-06
S NT 1 0.0049320512 5.507168e-06
S NL 1 0.0049320512 5.507168e-06
S NR 1 0.0049320512 5.507168e-06
S NZ 1 0.0049320512 5.507168e-06
S NE 1 0.0049320512 5.507168e-06
S C 1 0.0048341296 8.034752e-06
S CH0 1 0.0048920832 5.181728e-05
S CH1 1 0.007783768 3.56176e-05
S CH2 1 0.0086350864 2.1074048e-05
S CH3 1 0.009797156 1.8665792e-05
S CH4 1 0.011470816 2.1196992e-05
S CH2r 1 0.0085571488 1.9153952e-05
S CR1 1 0.00741906 1.4059008e-05
S HC 1 0.000919264 4.44768e-07
S H 1 0 0
S DUM 1 0 0
CU1+ O 1 0.000972602 2.5425e-07
CU1+ OM 1 0.000972602 6.903e-07
CU1+ OA 1 0.000972602 2.76075e-07
CU1+ OE 1 0.000972602 2.76075e-07
CU1+ OW 1 0.001046222 3.65175e-07
CU1+ N 1 0.001009412 1.0903157e-07
CU1+ NT 1 0.001009412 1.0903157e-07
CU1+ NL 1 0.001009412 1.0903157e-07
CU1+ NR 1 0.001009412 4.14225e-07
CU1+ NZ 1 0.001009412 1.0903157e-07
CU1+ NE 1 0.001009412 1.0903157e-07
CU1+ C 1 0.000989371 1.5907298e-07
CU1+ CH0 1 0.001001232 1.0258847e-06
CU1+ CH1 1 0.001593055 7.051615e-07
CU1+ CH2 1 0.001767289 4.1722652e-07
CU1+ CH3 1 0.0020051225 3.6954758e-07
CU1+ CH4 1 0.00234766 4.1966058e-07
CU1+ CH2r 1 0.001751338 3.7921223e-07
CU1+ CR1 1 0.0015184125 2.7834192e-07
CU1+ HC 1 0.00018814 8.80557e-09
CU1+ H 1 0 0
CU1+ DUM 1 0 0
CU1+ S 1 0.002043364 2.5886944e-07
CU2+ O 1 0.000972602 4.62283e-07
CU2+ OM 1 0.000972602 1.2551188e-06
CU2+ OA 1 0.000972602 5.019657e-07
CU2+ OE 1 0.000972602 5.019657e-07
CU2+ OW 1 0.001046222 6.639693e-07
CU2+ N 1 0.001009412 1.0903157e-07
CU2+ NT 1 0.001009412 1.0903157e-07
CU2+ NL 1 0.001009412 1.0903157e-07
CU2+ NR 1 0.001009412 7.531531e-07
CU2+ NZ 1 0.001009412 1.0903157e-07
CU2+ NE 1 0.001009412 1.0903157e-07
CU2+ C 1 0.000989371 1.5907298e-07
CU2+ CH0 1 0.001001232 1.0258847e-06
CU2+ CH1 1 0.001593055 7.051615e-07
CU2+ CH2 1 0.001767289 4.1722652e-07
CU2+ CH3 1 0.0020051225 3.6954758e-07
CU2+ CH4 1 0.00234766 4.1966058e-07
CU2+ CH2r 1 0.001751338 3.7921223e-07
CU2+ CR1 1 0.0015184125 2.7834192e-07
CU2+ HC 1 0.00018814 8.80557e-09
CU2+ H 1 0 0
CU2+ DUM 1 0 0
CU2+ S 1 0.002043364 2.5886944e-07
CU2+ CU1+ 1 0.0004182025 5.1251281e-09
FE O 1 0 0
FE OM 1 0 0
FE OA 1 0 0
FE OE 1 0 0
FE OW 1 0 0
FE N 1 0 0
FE NT 1 0 0
FE NL 1 0 0
FE NR 1 0 0
FE NZ 1 0 0
FE NE 1 0 0
FE C 1 0 0
FE CH0 1 0 0
FE CH1 1 0 0
FE CH2 1 0 0
FE CH3 1 0 0
FE CH4 1 0 0
FE CH2r 1 0 0
FE CR1 1 0 0
FE HC 1 0 0
FE H 1 0 0
FE DUM 1 0 0
FE S 1 0 0
FE CU1+ 1 0 0
FE CU2+ 1 0 0
ZN2+ O 1 0.000972602 1.097908e-07
ZN2+ OM 1 0.000972602 2.9808688e-07
ZN2+ OA 1 0.000972602 1.1921532e-07
ZN2+ OE 1 0.000972602 1.1921532e-07
ZN2+ OW 1 0.001046222 1.5769068e-07
ZN2+ N 1 0.001009412 1.4797468e-07
ZN2+ NT 1 0.001009412 1.4797468e-07
ZN2+ NL 1 0.001009412 1.4797468e-07
ZN2+ NR 1 0.001009412 1.7887156e-07
ZN2+ NZ 1 0.001009412 1.4797468e-07
ZN2+ NE 1 0.001009412 1.4797468e-07
ZN2+ C 1 0.000989371 2.1588952e-07
ZN2+ CH0 1 0.001001232 1.3923028e-06
ZN2+ CH1 1 0.001593055 9.57026e-07
ZN2+ CH2 1 0.001767289 5.6624848e-07
ZN2+ CH3 1 0.0020051225 5.0153992e-07
ZN2+ CH4 1 0.00234766 5.6955192e-07
ZN2+ CH2r 1 0.001751338 5.1465652e-07
ZN2+ CR1 1 0.0015184125 3.7775808e-07
ZN2+ HC 1 0.00018814 1.195068e-08
ZN2+ H 1 0 0
ZN2+ DUM 1 0 0
ZN2+ S 1 0.002043364 3.5133056e-07
ZN2+ CU1+ 1 0.0004182025 6.9556844e-09
ZN2+ CU2+ 1 0.0004182025 6.9556844e-09
ZN2+ FE 1 0 0
MG2+ O 1 0.0003842848 6.59694e-08
MG2+ OM 1 0.0003842848 1.7910984e-07
MG2+ OA 1 0.0003842848 7.163226e-08
MG2+ OE 1 0.0003842848 7.163226e-08
MG2+ OW 1 0.0004133728 9.475074e-08
MG2+ N 1 0.0003988288 8.891274e-08
MG2+ NT 1 0.0003988288 8.891274e-08
MG2+ NL 1 0.0003988288 8.891274e-08
MG2+ NR 1 0.0003988288 1.0747758e-07
MG2+ NZ 1 0.0003988288 8.891274e-08
MG2+ NE 1 0.0003988288 8.891274e-08
MG2+ C 1 0.0003909104 1.2972036e-07
MG2+ CH0 1 0.0003955968 8.365854e-07
MG2+ CH1 1 0.000629432 5.75043e-07
MG2+ CH2 1 0.0006982736 3.4023864e-07
MG2+ CH3 1 0.000792244 3.0135756e-07
MG2+ CH4 1 0.000927584 3.4222356e-07
MG2+ CH2r 1 0.0006919712 3.0923886e-07
MG2+ CR1 1 0.00059994 2.2698144e-07
MG2+ HC 1 7.4336e-05 7.18074e-09
MG2+ H 1 0 0
MG2+ DUM 1 0 0
MG2+ S 1 0.0008073536 2.1110208e-07
MG2+ CU1+ 1 0.000165236 4.1794242e-09
MG2+ CU2+ 1 0.000165236 4.1794242e-09
MG2+ FE 1 0 0
MG2+ ZN2+ 1 0.000165236 5.6722008e-09
CA2+ O 1 0.001507652 7.97441e-07
CA2+ OM 1 0.001507652 2.1650876e-06
CA2+ OA 1 0.001507652 8.658939e-07
CA2+ OE 1 0.001507652 8.658939e-07
CA2+ OW 1 0.001621772 1.1453511e-06
CA2+ N 1 0.001564712 1.0747811e-06
CA2+ NT 1 0.001564712 1.0747811e-06
CA2+ NL 1 0.001564712 1.0747811e-06
CA2+ NR 1 0.001564712 1.2991937e-06
CA2+ NZ 1 0.001564712 1.0747811e-06
CA2+ NE 1 0.001564712 1.0747811e-06
CA2+ C 1 0.001533646 1.5680654e-06
CA2+ CH0 1 0.001552032 1.0112681e-05
CA2+ CH1 1 0.00246943 6.951145e-06
CA2+ CH2 1 0.002739514 4.1128196e-06
CA2+ CH3 1 0.003108185 3.6428234e-06
CA2+ CH4 1 0.00363916 4.1368134e-06
CA2+ CH2r 1 0.002714788 3.7380929e-06
CA2+ CR1 1 0.002353725 2.7437616e-06
CA2+ HC 1 0.00029164 8.68011e-08
CA2+ H 1 0 0
CA2+ DUM 1 0 0
CA2+ S 1 0.003167464 2.5518112e-06
CA2+ CU1+ 1 0.000648265 5.0521063e-08
CA2+ CU2+ 1 0.000648265 5.0521063e-08
CA2+ FE 1 0 0
CA2+ ZN2+ 1 0.000648265 6.8565812e-08
CA2+ MG2+ 1 0.000256136 4.1198766e-08
P O 1 0.005773784 5.32343e-06
P OM 1 0.005773784 1.4453348e-05
P OA 1 0.005773784 5.780397e-06
P OE 1 0.005773784 5.780397e-06
P OW 1 0.006210824 7.645953e-06
P N 1 0.005992304 7.174853e-06
P NT 1 0.005992304 7.174853e-06
P NL 1 0.005992304 7.174853e-06
P NR 1 0.005992304 8.672951e-06
P NZ 1 0.005992304 7.174853e-06
P NE 1 0.005992304 7.174853e-06
P C 1 0.005873332 1.0467842e-05
P CH0 1 0.005943744 6.750863e-05
P CH1 1 0.00945706 4.640335e-05
P CH2 1 0.010491388 2.7455708e-05
P CH3 1 0.01190327 2.4318182e-05
P CH4 1 0.01393672 2.7615882e-05
P CH2r 1 0.010396696 2.4954167e-05
P CR1 1 0.00901395 1.8316368e-05
P HC 1 0.00111688 5.79453e-07
P H 1 0 0
P DUM 1 0 0
P S 1 0.012130288 1.7034976e-05
P CU1+ 1 0.00248263 3.3726049e-07
P CU2+ 1 0.00248263 3.3726049e-07
P FE 1 0 0
P ZN2+ 1 0.00248263 4.5772076e-07
P MG2+ 1 0.000980912 2.7502818e-07
P CA2+ 1 0.00384838 3.3245527e-06
AR O 1 0.003764374 3.138e-06
AR OM 1 0.003764374 2.7021318e-06
AR OA 1 0.003764374 3.4518e-06
AR OE 1 0.003764374 3.4518e-06
AR OW 1 0.004049314 5.092974e-06
AR N 1 0.003906844 4.779174e-06
AR NT 1 0.003906844 4.779174e-06
AR NL 1 0.003906844 4.779174e-06
AR NR 1 0.003906844 4.779174e-06
AR NZ 1 0.003906844 4.779174e-06
AR NE 1 0.003906844 4.779174e-06
AR C 1 0.003829277 6.972636e-06
AR CH0 1 0.003875184 4.496754e-05
AR CH1 1 0.006165785 3.09093e-05
AR CH2 1 0.006840143 1.8288264e-05
AR CH3 1 0.0077606575 1.6198356e-05
AR CH4 1 0.00908642 1.8394956e-05
AR CH2r 1 0.006778406 1.6621986e-05
AR CR1 1 0.0058768875 1.2200544e-05
AR HC 1 0.00072818 3.85974e-07
AR H 1 0 0
AR DUM 1 0 0
AR S 1 0.007908668 1.1347008e-05
AR CU1+ 1 0.0016186175 2.2464942e-07
AR CU2+ 1 0.0016186175 2.2464942e-07
AR FE 1 0 0
AR ZN2+ 1 0.0016186175 3.0488808e-07
AR MG2+ 1 0.000639532 1.8319644e-07
AR CA2+ 1 0.002509055 2.2144866e-06
AR P 1 0.00960881 1.4783118e-05
F O 1 0.0016322592 8.722e-07
F OM 1 0.0016322592 7.5105142e-07
F OA 1 0.0016322592 1.505529e-06
F OE 1 0.0016322592 9.5942e-07
F OW 1 0.0017558112 1.991421e-06
F N 1 0.0016940352 2.384061e-06
F NT 1 0.0016940352 2.76075e-06
F NL 1 0.0016940352 3.764436e-06
F NR 1 0.0016940352 2.258907e-06
F NZ 1 0.0016940352 2.635596e-06
F NE 1 0.0016940352 2.434368e-06
F C 1 0.0016604016 1.9380284e-06
F CH0 1 0.0016803072 1.2498626e-05
F CH1 1 0.002673528 8.59117e-06
F CH2 1 0.0029659344 5.0831816e-06
F CH3 1 0.003365076 4.5022964e-06
F CH4 1 0.003939936 5.1128364e-06
F CH2r 1 0.0029391648 4.6200434e-06
F CR1 1 0.00254826 3.3911136e-06
F HC 1 0.000315744 1.072806e-07
F H 1 0 0
F DUM 1 0 0
F S 1 0.0034292544 3.1538752e-06
F CU1+ 1 0.000701844 2.76075e-07
F CU2+ 1 0.000701844 5.019657e-07
F FE 1 0 0
F ZN2+ 1 0.000701844 1.1921532e-07
F MG2+ 1 0.0002773056 7.163226e-08
F CA2+ 1 0.001087944 8.658939e-07
F P 1 0.004166448 5.780397e-06
F AR 1 0.002716428 2.7369636e-06
CL O 1 0.0044525672 3.911e-06
CL OM 1 0.0044525672 3.3677621e-06
CL OA 1 0.0044525672 4.798797e-06
CL OE 1 0.0044525672 4.3021e-06
CL OW 1 0.0047895992 6.347553e-06
CL N 1 0.0046210832 7.599073e-06
CL NT 1 0.0046210832 8.79975e-06
CL NL 1 0.0046210832 1.1998948e-05
CL NR 1 0.0046210832 7.200151e-06
CL NZ 1 0.0046210832 8.400828e-06
CL NE 1 0.0046210832 7.759424e-06
CL C 1 0.0045293356 8.690242e-06
CL CH0 1 0.0045836352 5.604463e-05
CL CH1 1 0.007292998 3.852335e-05
CL CH2 1 0.0080906404 2.2793308e-05
CL CH3 1 0.009179441 2.0188582e-05
CL CH4 1 0.010747576 2.2926282e-05
CL CH2r 1 0.0080176168 2.0716567e-05
CL CR1 1 0.006951285 1.5205968e-05
CL HC 1 0.000861304 4.81053e-07
CL H 1 0 0
CL DUM 1 0 0
CL S 1 0.0093545104 1.4142176e-05
CL CU1+ 1 0.001914529 8.79975e-07
CL CU2+ 1 0.001914529 1.5999901e-06
CL FE 1 0 0
CL ZN2+ 1 0.001914529 3.7999276e-07
CL MG2+ 1 0.0007564496 2.2832418e-07
CL CA2+ 1 0.002967754 2.7599927e-06
CL P 1 0.011365468 1.8424721e-05
CL AR 1 0.007410023 1.2272718e-05
CL F 1 0.0032130384 3.4111742e-06
BR O 1 0.007909228 8.092e-06
BR OM 1 0.007909228 6.9680212e-06
BR OA 1 0.007909228 9.928884e-06
BR OE 1 0.007909228 8.9012e-06
BR OW 1 0.008507908 1.3133316e-05
BR N 1 0.008208568 1.5722756e-05
BR NT 1 0.008208568 1.8207e-05
BR NL 1 0.008208568 2.4826256e-05
BR NR 1 0.008208568 1.4897372e-05
BR NZ 1 0.008208568 1.7381616e-05
BR NE 1 0.008208568 1.6054528e-05
BR C 1 0.008045594 1.7980424e-05
BR CH0 1 0.008142048 0.00011595836
BR CH1 1 0.01295477 7.97062e-05
BR CH2 1 0.014371646 4.7160176e-05
BR CH3 1 0.016305715 4.1770904e-05
BR CH4 1 0.01909124 4.7435304e-05
BR CH2r 1 0.014241932 4.2863324e-05
BR CR1 1 0.012347775 3.1461696e-05
BR HC 1 0.00152996 9.95316e-07
BR H 1 0 0
BR DUM 1 0 0
BR S 1 0.016616696 2.9260672e-05
BR CU1+ 1 0.003400835 1.8207e-06
BR CU2+ 1 0.003400835 3.3104372e-06
BR FE 1 0 0
BR ZN2+ 1 0.003400835 7.8621872e-07
BR MG2+ 1 0.001343704 4.7241096e-07
BR CA2+ 1 0.00527171 5.7105244e-06
BR P 1 0.02018882 3.8121412e-05
BR AR 1 0.013162645 2.5392696e-05
BR F 1 0.005707416 7.0578424e-06
BR CL 1 0.015569006 3.1647812e-05
CMet O 1 0.0044806276 4.4e-06
CMet OM 1 0.0044806276 3.78884e-06
CMet OA 1 0.0044806276 4.84e-06
CMet OE 1 0.0044806276 4.84e-06
CMet OW 1 0.0048197836 7.1412e-06
CMet N 1 0.0046502056 6.7012e-06
CMet NT 1 0.0046502056 6.7012e-06
CMet NL 1 0.0046502056 6.7012e-06
CMet NR 1 0.0046502056 6.7012e-06
CMet NZ 1 0.0046502056 6.7012e-06
CMet NE 1 0.0046502056 6.7012e-06
CMet C 1 0.0045578798 9.7768e-06
CMet CH0 1 0.0046125216 6.3052e-05
CMet CH1 1 0.007338959 4.334e-05
CMet CH2 1 0.0081416282 2.56432e-05
CMet CH3 1 0.0092372905 2.27128e-05
CMet CH4 1 0.010815308 2.57928e-05
CMet CH2r 1 0.0080681444 2.33068e-05
CMet CR1 1 0.0069950925 1.71072e-05
CMet HC 1 0.000866732 5.412e-07
CMet H 1 0 0
CMet DUM 1 0 0
CMet S 1 0.0094134632 1.59104e-05
CMet CU1+ 1 0.0019265945 3.14996e-07
CMet CU2+ 1 0.0019265945 3.14996e-07
CMet FE 1 0 0
CMet ZN2+ 1 0.0019265945 4.27504e-07
CMet MG2+ 1 0.0007612168 2.56872e-07
CMet CA2+ 1 0.002986457 3.10508e-06
CMet P 1 0.011437094 2.07284e-05
CMet AR 1 0.0074567215 1.38072e-05
CMet F 1 0.0032332872 3.83768e-06
CMet CL 1 0.0088199402 1.72084e-05
CMet BR 1 0.015667123 3.56048e-05
OMet O 1 0.0022619536 1.72325e-06
OMet OM 1 0.0022619536 2.807525e-06
OMet OA 1 0.0022619536 1.871175e-06
OMet OE 1 0.0022619536 1.871175e-06
OMet OW 1 0.0024331696 2.475075e-06
OMet N 1 0.0023475616 2.963075e-06
OMet NT 1 0.0023475616 3.43125e-06
OMet NL 1 0.0023475616 4.6787e-06
OMet NR 1 0.0023475616 2.807525e-06
OMet NZ 1 0.0023475616 3.2757e-06
OMet NE 1 0.0023475616 3.0256e-06
OMet C 1 0.0023009528 3.38855e-06
OMet CH0 1 0.0023285376 2.185325e-05
OMet CH1 1 0.003704924 1.502125e-05
OMet CH2 1 0.0041101352 8.8877e-06
OMet CH3 1 0.004663258 7.87205e-06
OMet CH4 1 0.005459888 8.93955e-06
OMet CH2r 1 0.0040730384 8.077925e-06
OMet CR1 1 0.00353133 5.9292e-06
OMet HC 1 0.000437552 1.87575e-07
OMet H 1 0 0
OMet DUM 1 0 0
OMet S 1 0.0047521952 5.5144e-06
OMet CU1+ 1 0.000972602 3.43125e-07
OMet CU2+ 1 0.000972602 6.238775e-07
OMet FE 1 0 0
OMet ZN2+ 1 0.000972602 1.48169e-07
OMet MG2+ 1 0.0003842848 8.90295e-08
OMet CA2+ 1 0.001507652 1.0761925e-06
OMet P 1 0.005773784 7.184275e-06
OMet AR 1 0.003764374 4.78545e-06
OMet F 1 0.0016322592 1.871175e-06
OMet CL 1 0.0044525672 5.964275e-06
OMet BR 1 0.007909228 1.23403e-05
OMet CMet 1 0.0044806276 6.71e-06
NA+ O 1 0.00040373684 1.6385e-07
NA+ OM 1 0.00040373684 4.4486e-07
NA+ OA 1 0.00040373684 1.77915e-07
NA+ OE 1 0.00040373684 1.77915e-07
NA+ OW 1 0.00043429724 2.35335e-07
NA+ N 1 0.00041901704 2.20835e-07
NA+ NT 1 0.00041901704 2.20835e-07
NA+ NL 1 0.00041901704 2.20835e-07
NA+ NR 1 0.00041901704 2.66945e-07
NA+ NZ 1 0.00041901704 2.20835e-07
NA+ NE 1 0.00041901704 2.20835e-07
NA+ C 1 0.00041069782 3.2219e-07
NA+ CH0 1 0.00041562144 2.07785e-06
NA+ CH1 1 0.0006612931 1.42825e-06
NA+ CH2 1 0.00073361938 8.4506e-07
NA+ CH3 1 0.00083234645 7.4849e-07
NA+ CH4 1 0.0009745372 8.4999e-07
NA+ CH2r 1 0.00072699796 7.68065e-07
NA+ CR1 1 0.00063030825 5.6376e-07
NA+ HC 1 7.80988e-05 1.7835e-08
NA+ H 1 0 0
NA+ DUM 1 0 0
NA+ S 1 0.00084822088 5.2432e-07
NA+ CU1+ 1 0.00017360005 1.038055e-08
NA+ CU2+ 1 0.00017360005 1.038055e-08
NA+ FE 1 0 0
NA+ ZN2+ 1 0.00017360005 1.40882e-08
NA+ MG2+ 1 6.859112e-05 8.4651e-09
NA+ CA2+ 1 0.0002691013 1.023265e-07
NA+ P 1 0.0010305646 6.83095e-07
NA+ AR 1 0.00067190435 4.5501e-07
NA+ F 1 0.00029134248 1.77915e-07
NA+ CL 1 0.00079474018 5.67095e-07
NA+ BR 1 0.0014117207 1.17334e-06
NA+ CMet 1 0.00079974869 6.38e-07
NA+ OMet 1 0.00040373684 2.21125e-07
CL- O 1 0.0055883 1.034e-05
CL- OM 1 0.0055883 8.903774e-06
CL- OA 1 0.0055883 1.268718e-05
CL- OE 1 0.0055883 1.1374e-05
CL- OW 1 0.0060113 1.678182e-05
CL- N 1 0.0057998 2.009062e-05
CL- NT 1 0.0057998 2.3265e-05
CL- NL 1 0.0057998 3.172312e-05
CL- NR 1 0.0057998 1.903594e-05
CL- NZ 1 0.0057998 2.221032e-05
CL- NE 1 0.0057998 2.051456e-05
CL- C 1 0.00568465 2.297548e-05
CL- CH0 1 0.0057528 0.0001481722
CL- CH1 1 0.00915325 0.000101849
CL- CH2 1 0.01015435 6.026152e-05
CL- CH3 1 0.011520875 5.337508e-05
CL- CH4 1 0.013489 6.061308e-05
CL- CH2r 1 0.0100627 5.477098e-05
CL- CR1 1 0.008724375 4.020192e-05
CL- HC 1 0.001081 1.27182e-06
CL- H 1 0 0
CL- DUM 1 0 0
CL- S 1 0.0117406 3.738944e-05
CL- CU1+ 1 0.002402875 2.3265e-06
CL- CU2+ 1 0.002402875 4.230094e-06
CL- FE 1 0 0
CL- ZN2+ 1 0.002402875 1.0046344e-06
CL- MG2+ 1 0.0009494 6.036492e-07
CL- CA2+ 1 0.00372475 7.296938e-06
CL- P 1 0.0142645 4.871174e-05
CL- AR 1 0.009300125 3.244692e-05
CL- F 1 0.0040326 9.018548e-06
CL- CL 1 0.01100035 4.043974e-05
CL- BR 1 0.01954025 8.367128e-05
CL- CMet 1 0.011069675 4.5496e-05
CL- OMet 1 0.0055883 1.57685e-05
CL- NA+ 1 0.0009974575 1.4993e-06
CChl O 1 0.0024394475 2.016e-06
CChl OM 1 0.0024394475 1.7359776e-06
CChl OA 1 0.0024394475 2.2176e-06
CChl OE 1 0.0024394475 2.2176e-06
CChl OW 1 0.0026240987 3.271968e-06
CChl N 1 0.0025317731 3.070368e-06
CChl NT 1 0.0025317731 3.070368e-06
CChl NL 1 0.0025317731 3.070368e-06
CChl NR 1 0.0025317731 3.070368e-06
CChl NZ 1 0.0025317731 3.070368e-06
CChl NE 1 0.0025317731 3.070368e-06
CChl C 1 0.002481507 4.479552e-06
CChl CH0 1 0.0025112563 2.888928e-05
CChl CH1 1 0.0039956468 1.98576e-05
CChl CH2 1 0.0044326546 1.1749248e-05
CChl CH3 1 0.0050291806 1.0406592e-05
CChl CH4 1 0.0058883216 1.1817792e-05
CChl CH2r 1 0.0043926469 1.0678752e-05
CChl CR1 1 0.003808431 7.838208e-06
CChl HC 1 0.0004718864 2.47968e-07
CChl H 1 0 0
CChl DUM 1 0 0
CChl S 1 0.0051250966 7.289856e-06
CChl CU1+ 1 0.0010489214 1.4432544e-07
CChl CU2+ 1 0.0010489214 1.4432544e-07
CChl FE 1 0 0
CChl ZN2+ 1 0.0010489214 1.9587456e-07
CChl MG2+ 1 0.00041443936 1.1769408e-07
CChl CA2+ 1 0.0016259564 1.4226912e-06
CChl P 1 0.0062268488 9.497376e-06
CChl AR 1 0.0040597618 6.326208e-06
CChl F 1 0.0017603414 1.7583552e-06
CChl CL 1 0.004801957 7.884576e-06
CChl BR 1 0.0085298596 1.6313472e-05
CChl CMet 1 0.0048322193 8.8704e-06
CChl OMet 1 0.0024394475 3.0744e-06
CChl NA+ 1 0.00043541779 2.9232e-07
CChl CL- 1 0.00602681 2.084544e-05
CLChl O 1 0.004334666 3.7101e-06
CLChl OM 1 0.004334666 3.1947671e-06
CLChl OA 1 0.004334666 4.08111e-06
CLChl OE 1 0.004334666 4.08111e-06
CLChl OW 1 0.0046627736 6.0214923e-06
CLChl N 1 0.0044987198 5.6504823e-06
CLChl NT 1 0.0044987198 5.6504823e-06
CLChl NL 1 0.0044987198 5.6504823e-06
CLChl NR 1 0.0044987198 5.6504823e-06
CLChl NZ 1 0.0044987198 5.6504823e-06
CLChl NE 1 0.0044987198 5.6504823e-06
CLChl C 1 0.0044094016 8.2438422e-06
CLChl CH0 1 0.0044622634 5.3165733e-05
CLChl CH1 1 0.0070998839 3.6544485e-05
CLChl CH2 1 0.0078764052 2.1622463e-05
CLChl CH3 1 0.0089363751 1.9151536e-05
CLChl CH4 1 0.010462987 2.1748606e-05
CLChl CH2r 1 0.0078053152 1.96524e-05
CLChl CR1 1 0.0067672192 1.4424869e-05
CLChl HC 1 0.0008384972 4.563423e-07
CLChl H 1 0 0
CLChl DUM 1 0 0
CLChl S 1 0.0091068087 1.3415722e-05
CLChl CU1+ 1 0.0018638335 2.6560606e-07
CLChl CU2+ 1 0.0018638335 2.6560606e-07
CLChl FE 1 0 0
CLChl ZN2+ 1 0.0018638335 3.6047332e-07
CLChl MG2+ 1 0.00073641928 2.1659564e-07
CLChl CA2+ 1 0.0028891697 2.6182176e-06
CLChl P 1 0.011064517 1.7478281e-05
CLChl AR 1 0.0072138101 1.1642294e-05
CLChl F 1 0.0031279591 3.2359492e-06
CLChl CL 1 0.0085326204 1.4510201e-05
CLChl BR 1 0.015156748 3.0022129e-05
CLChl CMet 1 0.0085863936 1.632444e-05
CLChl OMet 1 0.004334666 5.6579025e-06
CLChl NA+ 1 0.00077369595 5.379645e-07
CLChl CL- 1 0.010709067 3.8362434e-05
CLChl CChl 1 0.0046754 7.4813e-06
HChl O 1 0.0002920184 6.5574e-08
HChl OM 1 0.0002920184 5.6465771e-08
HChl OA 1 0.0002920184 7.21314e-08
HChl OE 1 0.0002920184 7.21314e-08
HChl OW 1 0.0003141224 1.064266e-07
HChl N 1 0.0003030704 9.9869202e-08
HChl NT 1 0.0003030704 9.9869202e-08
HChl NL 1 0.0003030704 9.9869202e-08
HChl NR 1 0.0003030704 9.9869202e-08
HChl NZ 1 0.0003030704 9.9869202e-08
HChl NE 1 0.0003030704 9.9869202e-08
HChl C 1 0.0002970532 1.4570543e-07
HChl CH0 1 0.0003006144 9.3967542e-07
HChl CH1 1 0.000478306 6.459039e-07
HChl CH2 1 0.0005306188 3.8216527e-07
HChl CH3 1 0.000602027 3.3849299e-07
HChl CH4 1 0.000704872 3.8439479e-07
HChl CH2r 1 0.0005258296 3.4734548e-07
HChl CR1 1 0.000455895 2.5495171e-07
HChl HC 1 5.6488e-05 8.065602e-09
HChl H 1 0 0
HChl DUM 1 0 0
HChl S 1 0.0006135088 2.3711558e-07
HChl CU1+ 1 0.000125563 4.6944427e-09
HChl CU2+ 1 0.000125563 4.6944427e-09
HChl FE 1 0 0
HChl ZN2+ 1 0.000125563 6.3711698e-09
HChl MG2+ 1 4.96112e-05 3.8282101e-09
HChl CA2+ 1 0.000194638 4.6275572e-08
HChl P 1 0.000745396 3.0891911e-07
HChl AR 1 0.000485981 2.0577121e-07
HChl F 1 0.0002107248 5.7193643e-08
HChl CL 1 0.0005748268 2.5645991e-07
HChl BR 1 0.001021082 5.3062481e-07
HChl CMet 1 0.0005784494 2.885256e-07
HChl OMet 1 0.0002920184 1.0000035e-07
HChl NA+ 1 5.212246e-05 9.50823e-09
HChl CL- 1 0.00072145 6.7803516e-07
HChl CChl 1 0.0003622 0.1745e-06
HChl CLChl 1 0.0006493 0.3266e-06
SDmso O 1 0.0048877412 4.6366e-06
SDmso OM 1 0.0048877412 3.9925763e-06
SDmso OA 1 0.0048877412 5.10026e-06
SDmso OE 1 0.0048877412 5.10026e-06
SDmso OW 1 0.0052577132 7.5252018e-06
SDmso N 1 0.0050727272 7.0615418e-06
SDmso NT 1 0.0050727272 7.0615418e-06
SDmso NL 1 0.0050727272 7.0615418e-06
SDmso NR 1 0.0050727272 7.0615418e-06
SDmso NZ 1 0.0050727272 7.0615418e-06
SDmso NE 1 0.0050727272 7.0615418e-06
SDmso C 1 0.0049720126 1.0302525e-05
SDmso CH0 1 0.0050316192 6.6442478e-05
SDmso CH1 1 0.008005783 4.567051e-05
SDmso CH2 1 0.0088813834 2.7022105e-05
SDmso CH3 1 0.010076599 2.3934129e-05
SDmso CH4 1 0.011797996 2.7179749e-05
SDmso CH2r 1 0.0088012228 2.456007e-05
SDmso CR1 1 0.0076306725 1.8027101e-05
SDmso HC 1 0.000945484 5.703018e-07
SDmso H 1 0 0
SDmso DUM 1 0 0
SDmso S 1 0.010268778 1.6765946e-05
SDmso CU1+ 1 0.0021016465 3.3193419e-07
SDmso CU2+ 1 0.0021016465 3.3193419e-07
SDmso FE 1 0 0
SDmso ZN2+ 1 0.0021016465 4.5049206e-07
SDmso MG2+ 1 0.0008303816 2.7068471e-07
SDmso CA2+ 1 0.003257809 3.2720486e-06
SDmso P 1 0.012476278 2.1843023e-05
SDmso AR 1 0.0081342455 1.4549651e-05
SDmso F 1 0.0035270664 4.0440425e-06
SDmso CL 1 0.0096213274 1.8133743e-05
SDmso BR 1 0.017090651 3.7519367e-05
SDmso CMet 1 0.0096819617 2.040104e-05
SDmso OMet 1 0.0048877412 7.070815e-06
SDmso NA+ 1 0.00087241453 6.72307e-07
SDmso CL- 1 0.012075475 4.7942444e-05
SDmso CChl 1 0.0052712788 9.3473856e-06
SDmso CLChl 1 0.0093665606 1.720225e-05
SDmso HChl 1 0.0006310078 3.0404041e-07
CDmso O 1 0.004663258 5.162e-06
CDmso OM 1 0.004663258 4.4449982e-06
CDmso OA 1 0.004663258 5.6782e-06
CDmso OE 1 0.004663258 5.6782e-06
CDmso OW 1 0.005016238 8.377926e-06
CDmso N 1 0.004839748 7.861726e-06
CDmso NT 1 0.004839748 7.861726e-06
CDmso NL 1 0.004839748 7.861726e-06
CDmso NR 1 0.004839748 7.861726e-06
CDmso NZ 1 0.004839748 7.861726e-06
CDmso NE 1 0.004839748 7.861726e-06
CDmso C 1 0.004743659 1.1469964e-05
CDmso CH0 1 0.004800528 7.397146e-05
CDmso CH1 1 0.007638095 5.08457e-05
CDmso CH2 1 0.008473481 3.0084136e-05
CDmso CH3 1 0.0096138025 2.6646244e-05
CDmso CH4 1 0.01125614 3.0259644e-05
CDmso CH2r 1 0.008397002 2.7343114e-05
CDmso CR1 1 0.0072802125 2.0069856e-05
CDmso HC 1 0.00090206 6.34926e-07
CDmso H 1 0 0
CDmso DUM 1 0 0
CDmso S 1 0.009797156 1.8665792e-05
CDmso CU1+ 1 0.0020051225 3.6954758e-07
CDmso CU2+ 1 0.0020051225 3.6954758e-07
CDmso FE 1 0 0
CDmso ZN2+ 1 0.0020051225 5.0153992e-07
CDmso MG2+ 1 0.000792244 3.0135756e-07
CDmso CA2+ 1 0.003108185 3.6428234e-06
CDmso P 1 0.01190327 2.4318182e-05
CDmso AR 1 0.0077606575 1.6198356e-05
CDmso F 1 0.003365076 4.5022964e-06
CDmso CL 1 0.009179441 2.0188582e-05
CDmso BR 1 0.016305715 4.1770904e-05
CDmso CMet 1 0.0092372905 2.27128e-05
CDmso OMet 1 0.004663258 7.87205e-06
CDmso NA+ 1 0.00083234645 7.4849e-07
CDmso CL- 1 0.011520875 5.337508e-05
CDmso CChl 1 0.0050291806 1.0406592e-05
CDmso CLChl 1 0.0089363751 1.9151536e-05
CDmso HChl 1 0.000602027 3.3849299e-07
CDmso SDmso 1 0.010076599 2.3934129e-05
ODmso O 1 0.0022663291 8.6686e-07
ODmso OM 1 0.0022663291 7.4645315e-07
ODmso OA 1 0.0022663291 1.380375e-06
ODmso OE 1 0.0022663291 9.53546e-07
ODmso OW 1 0.0024378763 1.825875e-06
ODmso N 1 0.0023521027 2.185875e-06
ODmso NT 1 0.0023521027 2.53125e-06
ODmso NL 1 0.0023521027 3.4515e-06
ODmso NR 1 0.0023521027 2.071125e-06
ODmso NZ 1 0.0023521027 2.4165e-06
ODmso NE 1 0.0023521027 2.232e-06
ODmso C 1 0.0023054038 1.9261629e-06
ODmso CH0 1 0.0023330419 1.2422104e-05
ODmso CH1 1 0.0037120908 8.538571e-06
ODmso CH2 1 0.0041180858 5.0520601e-06
ODmso CH3 1 0.0046722786 4.4747313e-06
ODmso CH4 1 0.0054704496 5.0815333e-06
ODmso CH2r 1 0.0040809173 4.5917574e-06
ODmso CR1 1 0.003538161 3.3703517e-06
ODmso HC 1 0.0004383984 1.0662378e-07
ODmso H 1 0 0
ODmso DUM 1 0 0
ODmso S 1 0.0047613878 3.1345658e-06
ODmso CU1+ 1 0.0009744834 2.53125e-07
ODmso CU2+ 1 0.0009744834 4.602375e-07
ODmso FE 1 0 0
ODmso ZN2+ 1 0.0009744834 1.09305e-07
ODmso MG2+ 1 0.00038502816 6.56775e-08
ODmso CA2+ 1 0.0015105684 7.939125e-07
ODmso P 1 0.0057849528 5.299875e-06
ODmso AR 1 0.0037716558 2.7202067e-06
ODmso F 1 0.0016354166 7.5607529e-07
ODmso CL 1 0.0044611802 3.3902895e-06
ODmso BR 1 0.0079245276 7.0146311e-06
ODmso CMet 1 0.0044892949 3.814184e-06
ODmso OMet 1 0.0022663291 1.715625e-06
ODmso NA+ 1 0.00040451783 1.63125e-07
ODmso CL- 1 0.00559911 8.9633324e-06
ODmso CChl 1 0.0024441664 1.7475898e-06
ODmso CLChl 1 0.0043430509 3.2161373e-06
ODmso HChl 1 0.00029258328 5.6843478e-08
ODmso SDmso 1 0.004897196 4.0192831e-06
ODmso CDmso 1 0.0046722786 4.4747313e-06
CCl4 O 1 0.0024394475 2.7568e-06
CCl4 OM 1 0.0024394475 2.3738805e-06
CCl4 OA 1 0.0024394475 3.03248e-06
CCl4 OE 1 0.0024394475 3.03248e-06
CCl4 OW 1 0.0026240987 4.4742864e-06
CCl4 N 1 0.0025317731 4.1986064e-06
CCl4 NT 1 0.0025317731 4.1986064e-06
CCl4 NL 1 0.0025317731 4.1986064e-06
CCl4 NR 1 0.0025317731 4.1986064e-06
CCl4 NZ 1 0.0025317731 4.1986064e-06
CCl4 NE 1 0.0025317731 4.1986064e-06
CCl4 C 1 0.002481507 6.1256096e-06
CCl4 CH0 1 0.0025112563 3.9504944e-05
CCl4 CH1 1 0.0039956468 2.715448e-05
CCl4 CH2 1 0.0044326546 1.606663e-05
CCl4 CH3 1 0.0050291806 1.4230602e-05
CCl4 CH4 1 0.0058883216 1.6160362e-05
CCl4 CH2r 1 0.0043926469 1.460277e-05
CCl4 CR1 1 0.003808431 1.0718438e-05
CCl4 HC 1 0.0004718864 3.390864e-07
CCl4 H 1 0 0
CCl4 DUM 1 0 0
CCl4 S 1 0.0051250966 9.9685888e-06
CCl4 CU1+ 1 0.0010489214 1.9735931e-07
CCl4 CU2+ 1 0.0010489214 1.9735931e-07
CCl4 FE 1 0 0
CCl4 ZN2+ 1 0.0010489214 2.6785069e-07
CCl4 MG2+ 1 0.00041443936 1.6094198e-07
CCl4 CA2+ 1 0.0016259564 1.9454738e-06
CCl4 P 1 0.0062268488 1.2987285e-05
CCl4 AR 1 0.0040597618 8.6508384e-06
CCl4 F 1 0.0017603414 2.404481e-06
CCl4 CL 1 0.004801957 1.0781845e-05
CCl4 BR 1 0.0085298596 2.2308026e-05
CCl4 CMet 1 0.0048322193 1.212992e-05
CCl4 OMet 1 0.0024394475 4.20412e-06
CCl4 NA+ 1 0.00043541779 3.99736e-07
CCl4 CL- 1 0.00602681 2.8505312e-05
CCl4 CChl 1 0.0026308693 5.5577088e-06
CCl4 CLChl 1 0.0046748042 1.0228004e-05
CCl4 HChl 1 0.00031493288 1.807744e-07
CCl4 SDmso 1 0.0052712788 1.2782179e-05
CCl4 CDmso 1 0.0050291806 1.4230602e-05
CCl4 ODmso 1 0.0024441664 2.3897596e-06
CLCl4 O 1 0.0041472796 3.5732e-06
CLCl4 OM 1 0.0041472796 3.0768825e-06
CLCl4 OA 1 0.0041472796 3.93052e-06
CLCl4 OE 1 0.0041472796 3.93052e-06
CLCl4 OW 1 0.0044612032 5.7993036e-06
CLCl4 N 1 0.0043042414 5.4419836e-06
CLCl4 NT 1 0.0043042414 5.4419836e-06
CLCl4 NL 1 0.0043042414 5.4419836e-06
CLCl4 NR 1 0.0043042414 5.4419836e-06
CLCl4 NZ 1 0.0043042414 5.4419836e-06
CLCl4 NE 1 0.0043042414 5.4419836e-06
CLCl4 C 1 0.0042187844 7.9396504e-06
CLCl4 CH0 1 0.004269361 5.1203956e-05
CLCl4 CH1 1 0.0067929579 3.519602e-05
CLCl4 CH2 1 0.0075359104 2.082461e-05
CLCl4 CH3 1 0.008550058 1.8444858e-05
CLCl4 CH4 1 0.010010675 2.0946098e-05
CLCl4 CH2r 1 0.0074678936 1.892724e-05
CLCl4 CR1 1 0.0064746742 1.3892602e-05
CLCl4 HC 1 0.0008022492 4.395036e-07
CLCl4 H 1 0 0
CLCl4 DUM 1 0 0
CLCl4 S 1 0.0087131239 1.2920691e-05
CLCl4 CU1+ 1 0.0017832604 2.5580539e-07
CLCl4 CU2+ 1 0.0017832604 2.5580539e-07
CLCl4 FE 1 0 0
CLCl4 ZN2+ 1 0.0017832604 3.4717211e-07
CLCl4 MG2+ 1 0.00070458408 2.0860342e-07
CLCl4 CA2+ 1 0.0027642717 2.5216072e-06
CLCl4 P 1 0.010586201 1.6833345e-05
CLCl4 AR 1 0.0069019592 1.1212702e-05
CLCl4 F 1 0.0029927383 3.116545e-06
CLCl4 CL 1 0.0081637576 1.3974785e-05
CLCl4 BR 1 0.014501526 2.8914334e-05
CLCl4 CMet 1 0.0082152062 1.572208e-05
CLCl4 OMet 1 0.0041472796 5.44913e-06
CLCl4 NA+ 1 0.00074024929 5.18114e-07
CLCl4 CL- 1 0.010246117 3.6946888e-05
CLCl4 CChl 1 0.0044727137 7.2035712e-06
CLCl4 CLChl 1 0.0079475863 1.3256929e-05
CLCl4 HChl 1 0.00053541414 2.3430902e-07
CLCl4 SDmso 1 0.0089616468 1.6567499e-05
CLCl4 CDmso 1 0.008550058 1.8444858e-05
CLCl4 ODmso 1 0.0041553021 3.0974642e-06
CLCl4 CCl4 1 0.0044727137 9.8505978e-06
FTFE O 1 0.0016322592 1e-06
FTFE OM 1 0.0016322592 8.611e-07
FTFE OA 1 0.0016322592 1.227e-06
FTFE OE 1 0.0016322592 1.1e-06
FTFE OW 1 0.0017558112 1.623e-06
FTFE N 1 0.0016940352 1.943e-06
FTFE NT 1 0.0016940352 2.25e-06
FTFE NL 1 0.0016940352 3.068e-06
FTFE NR 1 0.0016940352 1.841e-06
FTFE NZ 1 0.0016940352 2.148e-06
FTFE NE 1 0.0016940352 1.984e-06
FTFE C 1 0.0016604016 2.222e-06
FTFE CH0 1 0.0016803072 1.433e-05
FTFE CH1 1 0.002673528 9.85e-06
FTFE CH2 1 0.0029659344 5.828e-06
FTFE CH3 1 0.003365076 5.162e-06
FTFE CH4 1 0.003939936 5.862e-06
FTFE CH2r 1 0.0029391648 5.297e-06
FTFE CR1 1 0.00254826 3.888e-06
FTFE HC 1 0.000315744 1.23e-07
FTFE H 1 0 0
FTFE DUM 1 0 0
FTFE S 1 0.0034292544 3.616e-06
FTFE CU1+ 1 0.000701844 2.25e-07
FTFE CU2+ 1 0.000701844 4.091e-07
FTFE FE 1 0 0
FTFE ZN2+ 1 0.000701844 9.716e-08
FTFE MG2+ 1 0.0002773056 5.838e-08
FTFE CA2+ 1 0.001087944 7.057e-07
FTFE P 1 0.004166448 4.711e-06
FTFE AR 1 0.002716428 3.138e-06
FTFE F 1 0.0011778624 8.722e-07
FTFE CL 1 0.0032130384 3.911e-06
FTFE BR 1 0.005707416 8.092e-06
FTFE CMet 1 0.0032332872 4.4e-06
FTFE OMet 1 0.0016322592 1.525e-06
FTFE NA+ 1 0.00029134248 1.45e-07
FTFE CL- 1 0.0040326 1.034e-05
FTFE CChl 1 0.0017603414 2.016e-06
FTFE CLChl 1 0.0031279591 3.7101e-06
FTFE HChl 1 0.0002107248 6.5574e-08
FTFE SDmso 1 0.0035270664 4.6366e-06
FTFE CDmso 1 0.003365076 5.162e-06
FTFE ODmso 1 0.0016354166 8.6686e-07
FTFE CCl4 1 0.0017603414 2.7568e-06
FTFE CLCl4 1 0.0029927383 3.5732e-06
CTFE O 1 0.0023009528 1.837e-06
CTFE OM 1 0.0023009528 1.5818407e-06
CTFE OA 1 0.0023009528 2.0207e-06
CTFE OE 1 0.0023009528 2.0207e-06
CTFE OW 1 0.0024751208 2.981451e-06
CTFE N 1 0.0023880368 2.797751e-06
CTFE NT 1 0.0023880368 2.797751e-06
CTFE NL 1 0.0023880368 2.797751e-06
CTFE NR 1 0.0023880368 2.797751e-06
CTFE NZ 1 0.0023880368 2.797751e-06
CTFE NE 1 0.0023880368 2.797751e-06
CTFE C 1 0.0023406244 4.081814e-06
CTFE CH0 1 0.0023686848 2.632421e-05
CTFE CH1 1 0.003768802 1.809445e-05
CTFE CH2 1 0.0041809996 1.0706036e-05
CTFE CH3 1 0.004743659 9.482594e-06
CTFE CH4 1 0.005554024 1.0768494e-05
CTFE CH2r 1 0.0041432632 9.730589e-06
CTFE CR1 1 0.003592215 7.142256e-06
CTFE HC 1 0.000445096 2.25951e-07
CTFE H 1 0 0
CTFE DUM 1 0 0
CTFE S 1 0.0048341296 6.642592e-06
CTFE CU1+ 1 0.000989371 1.3151083e-07
CTFE CU2+ 1 0.000989371 1.3151083e-07
CTFE FE 1 0 0
CTFE ZN2+ 1 0.000989371 1.7848292e-07
CTFE MG2+ 1 0.0003909104 1.0724406e-07
CTFE CA2+ 1 0.001533646 1.2963709e-06
CTFE P 1 0.005873332 8.654107e-06
CTFE AR 1 0.003829277 5.764506e-06
CTFE F 1 0.0016604016 1.6022314e-06
CTFE CL 1 0.0045293356 7.184507e-06
CTFE BR 1 0.008045594 1.4865004e-05
CTFE CMet 1 0.0045578798 8.0828e-06
CTFE OMet 1 0.0023009528 2.801425e-06
CTFE NA+ 1 0.00041069782 2.66365e-07
CTFE CL- 1 0.00568465 1.899458e-05
CTFE CChl 1 0.002481507 3.703392e-06
CTFE CLChl 1 0.0044094016 6.8154537e-06
CTFE HChl 1 0.0002970532 1.2045944e-07
CTFE SDmso 1 0.0049720126 8.5174342e-06
CTFE CDmso 1 0.004743659 9.482594e-06
CTFE ODmso 1 0.0023054038 1.5924218e-06
CTFE CCl4 1 0.002481507 5.0642416e-06
CTFE CLCl4 1 0.0042187844 6.5639684e-06
CTFE FTFE 1 0.0016604016 1.837e-06
CHTFE O 1 0.0040088324 5.077e-06
CHTFE OM 1 0.0040088324 4.3718047e-06
CHTFE OA 1 0.0040088324 5.5847e-06
CHTFE OE 1 0.0040088324 5.5847e-06
CHTFE OW 1 0.0043122764 8.239971e-06
CHTFE N 1 0.0041605544 7.732271e-06
CHTFE NT 1 0.0041605544 7.732271e-06
CHTFE NL 1 0.0041605544 7.732271e-06
CHTFE NR 1 0.0041605544 7.732271e-06
CHTFE NZ 1 0.0041605544 7.732271e-06
CHTFE NE 1 0.0041605544 7.732271e-06
CHTFE C 1 0.0040779502 1.1281094e-05
CHTFE CH0 1 0.0041268384 7.275341e-05
CHTFE CH1 1 0.006566191 5.000845e-05
CHTFE CH2 1 0.0072843418 2.9588756e-05
CHTFE CH3 1 0.0082646345 2.6207474e-05
CHTFE CH4 1 0.009676492 2.9761374e-05
CHTFE CH2r 1 0.0072185956 2.6892869e-05
CHTFE CR1 1 0.0062585325 1.9739376e-05
CHTFE HC 1 0.000775468 6.24471e-07
CHTFE H 1 0 0
CHTFE DUM 1 0 0
CHTFE S 1 0.0084222568 1.8358432e-05
CHTFE CU1+ 1 0.0017237305 3.6346243e-07
CHTFE CU2+ 1 0.0017237305 3.6346243e-07
CHTFE FE 1 0 0
CHTFE ZN2+ 1 0.0017237305 4.9328132e-07
CHTFE MG2+ 1 0.0006810632 2.9639526e-07
CHTFE CA2+ 1 0.002671993 3.5828389e-06
CHTFE P 1 0.010232806 2.3917747e-05
CHTFE AR 1 0.0066715535 1.5931626e-05
CHTFE F 1 0.0028928328 4.4281594e-06
CHTFE CL 1 0.0078912298 1.9856147e-05
CHTFE BR 1 0.014017427 4.1083084e-05
CHTFE CMet 1 0.0079409609 2.23388e-05
CHTFE OMet 1 0.0040088324 7.742425e-06
CHTFE NA+ 1 0.00071553781 7.36165e-07
CHTFE CL- 1 0.009904075 5.249618e-05
CHTFE CChl 1 0.0043234027 1.0235232e-05
CHTFE CLChl 1 0.0076822749 1.8836178e-05
CHTFE HChl 1 0.0005175406 3.329192e-07
CHTFE SDmso 1 0.0086624833 2.3540018e-05
CHTFE CDmso 1 0.0082646345 2.6207474e-05
CHTFE ODmso 1 0.0040165871 4.4010482e-06
CHTFE CCl4 1 0.0043234027 1.3996274e-05
CHTFE CLCl4 1 0.0073501723 1.8141136e-05
CHTFE FTFE 1 0.0028928328 5.077e-06
CHTFE CTFE 1 0.0040779502 9.326449e-06
OTFE O 1 0.0022619536 1.227e-06
OTFE OM 1 0.0022619536 1.0565697e-06
OTFE OA 1 0.0022619536 1.505529e-06
OTFE OE 1 0.0022619536 1.3497e-06
OTFE OW 1 0.0024331696 1.991421e-06
OTFE N 1 0.0023475616 1.868721e-06
OTFE NT 1 0.0023475616 2.76075e-06
OTFE NL 1 0.0023475616 1.868721e-06
OTFE NR 1 0.0023475616 2.258907e-06
OTFE NZ 1 0.0023475616 1.868721e-06
OTFE NE 1 0.0023475616 1.868721e-06
OTFE C 1 0.0023009528 2.726394e-06
OTFE CH0 1 0.0023285376 1.758291e-05
OTFE CH1 1 0.003704924 1.208595e-05
OTFE CH2 1 0.0041101352 7.150956e-06
OTFE CH3 1 0.004663258 6.333774e-06
OTFE CH4 1 0.005459888 7.192674e-06
OTFE CH2r 1 0.0040730384 6.499419e-06
OTFE CR1 1 0.00353133 4.770576e-06
OTFE HC 1 0.000437552 1.50921e-07
OTFE H 1 0 0
OTFE DUM 1 0 0
OTFE S 1 0.0047521952 4.436832e-06
OTFE CU1+ 1 0.000972602 8.784093e-08
OTFE CU2+ 1 0.000972602 8.784093e-08
OTFE FE 1 0 0
OTFE ZN2+ 1 0.000972602 1.1921532e-07
OTFE MG2+ 1 0.0003842848 7.163226e-08
OTFE CA2+ 1 0.001507652 8.658939e-07
OTFE P 1 0.005773784 5.780397e-06
OTFE AR 1 0.003764374 3.850326e-06
OTFE F 1 0.0016322592 1.0701894e-06
OTFE CL 1 0.0044525672 4.798797e-06
OTFE BR 1 0.007909228 9.928884e-06
OTFE CMet 1 0.0044806276 5.3988e-06
OTFE OMet 1 0.0022619536 1.871175e-06
OTFE NA+ 1 0.00040373684 1.77915e-07
OTFE CL- 1 0.0055883 1.268718e-05
OTFE CChl 1 0.0024394475 2.473632e-06
OTFE CLChl 1 0.004334666 4.5522927e-06
OTFE HChl 1 0.0002920184 8.0459298e-08
OTFE SDmso 1 0.0048877412 5.6891082e-06
OTFE CDmso 1 0.004663258 6.333774e-06
OTFE ODmso 1 0.0022663291 1.380375e-06
OTFE CCl4 1 0.0024394475 3.3825936e-06
OTFE CLCl4 1 0.0041472796 4.3843164e-06
OTFE FTFE 1 0.0016322592 1.227e-06
OTFE CTFE 1 0.0023009528 2.253999e-06
OTFE CHTFE 1 0.0040088324 6.229479e-06
CUrea O 1 0.0033247294 3.6864e-06
CUrea OM 1 0.0033247294 3.174359e-06
CUrea OA 1 0.0033247294 4.05504e-06
CUrea OE 1 0.0033247294 4.05504e-06
CUrea OW 1 0.003576391 5.9830272e-06
CUrea N 1 0.0034505602 5.6143872e-06
CUrea NT 1 0.0034505602 5.6143872e-06
CUrea NL 1 0.0034505602 5.6143872e-06
CUrea NR 1 0.0034505602 5.6143872e-06
CUrea NZ 1 0.0034505602 5.6143872e-06
CUrea NE 1 0.0034505602 5.6143872e-06
CUrea C 1 0.0033820523 8.1911808e-06
CUrea CH0 1 0.0034225978 5.2826112e-05
CUrea CH1 1 0.0054456774 3.631104e-05
CUrea CH2 1 0.0060412765 2.1484339e-05
CUrea CH3 1 0.0068542833 1.9029197e-05
CUrea CH4 1 0.0080252088 2.1609677e-05
CUrea CH2r 1 0.0059867498 1.9526861e-05
CUrea CR1 1 0.0051905205 1.4332723e-05
CUrea HC 1 0.0006431352 4.534272e-07
CUrea H 1 0 0
CUrea DUM 1 0 0
CUrea S 1 0.0069850075 1.3330022e-05
CUrea CU1+ 1 0.0014295777 2.6390938e-07
CUrea CU2+ 1 0.0014295777 2.6390938e-07
CUrea FE 1 0 0
CUrea ZN2+ 1 0.0014295777 3.5817062e-07
CUrea MG2+ 1 0.00056484048 2.1521203e-07
CUrea CA2+ 1 0.0022160202 2.6014925e-06
CUrea P 1 0.0084865884 1.736663e-05
CUrea AR 1 0.0055330599 1.1567923e-05
CUrea F 1 0.0023991739 3.2152781e-06
CUrea CL 1 0.0065445997 1.441751e-05
CUrea BR 1 0.011625368 2.9830349e-05
CUrea CMet 1 0.0065858443 1.622016e-05
CUrea OMet 1 0.0033247294 5.62176e-06
CUrea NA+ 1 0.00059343203 5.34528e-07
CUrea CL- 1 0.008213955 3.8117376e-05
CUrea CChl 1 0.0035856186 7.4317824e-06
CUrea CLChl 1 0.0063713027 1.3676913e-05
CUrea HChl 1 0.00042922284 2.4173199e-07
CUrea SDmso 1 0.0071842396 1.7092362e-05
CUrea CDmso 1 0.0068542833 1.9029197e-05
CUrea ODmso 1 0.0033311607 3.1955927e-06
CUrea CCl4 1 0.0035856186 1.0162668e-05
CUrea CLCl4 1 0.0060958731 1.3172244e-05
CUrea FTFE 1 0.0023991739 3.6864e-06
CUrea CTFE 1 0.0033820523 6.7719168e-06
CUrea CHTFE 1 0.0058923767 1.8715853e-05
CUrea OTFE 1 0.0033247294 4.5232128e-06
OUrea O 1 0.0023123672 1.2609e-06
OUrea OM 1 0.0023123672 1.085761e-06
OUrea OA 1 0.0023123672 1.5471243e-06
OUrea OE 1 0.0023123672 1.38699e-06
OUrea OW 1 0.0024873992 2.0464407e-06
OUrea N 1 0.0023998832 2.4499287e-06
OUrea NT 1 0.0023998832 2.837025e-06
OUrea NL 1 0.0023998832 3.8684412e-06
OUrea NR 1 0.0023998832 2.3213169e-06
OUrea NZ 1 0.0023998832 2.7084132e-06
OUrea NE 1 0.0023998832 2.5016256e-06
OUrea C 1 0.0023522356 2.8017198e-06
OUrea CH0 1 0.0023804352 1.8068697e-05
OUrea CH1 1 0.003787498 1.2419865e-05
OUrea CH2 1 0.0042017404 7.3485252e-06
OUrea CH3 1 0.004767191 6.5087658e-06
OUrea CH4 1 0.005581576 7.3913958e-06
OUrea CH2r 1 0.0041638168 6.6789873e-06
OUrea CR1 1 0.003610035 4.9023792e-06
OUrea HC 1 0.000447304 1.550907e-07
OUrea H 1 0 0
OUrea DUM 1 0 0
OUrea S 1 0.0048581104 4.5594144e-06
OUrea CU1+ 1 0.000994279 2.837025e-07
OUrea CU2+ 1 0.000994279 5.1583419e-07
OUrea FE 1 0 0
OUrea ZN2+ 1 0.000994279 1.2250904e-07
OUrea MG2+ 1 0.0003928496 7.3611342e-08
OUrea CA2+ 1 0.001541254 8.8981713e-07
OUrea P 1 0.005902468 5.9400999e-06
OUrea AR 1 0.003848273 3.9567042e-06
OUrea F 1 0.0016686384 1.099757e-06
OUrea CL 1 0.0045518044 4.9313799e-06
OUrea BR 1 0.008085506 1.0203203e-05
OUrea CMet 1 0.0045804902 5.54796e-06
OUrea OMet 1 0.0023123672 1.9228725e-06
OUrea NA+ 1 0.00041273518 1.828305e-07
OUrea CL- 1 0.00571285 1.3037706e-05
OUrea CChl 1 0.002493817 2.5419744e-06
OUrea CLChl 1 0.0044312754 4.6780651e-06
OUrea HChl 1 0.0002985268 8.2682257e-08
OUrea SDmso 1 0.0049966774 5.8462889e-06
OUrea CDmso 1 0.004767191 6.5087658e-06
OUrea ODmso 1 0.0023168402 1.0930238e-06
OUrea CCl4 1 0.002493817 3.4760491e-06
OUrea CLCl4 1 0.0042397126 4.5054479e-06
OUrea FTFE 1 0.0016686384 1.2609e-06
OUrea CTFE 1 0.0023522356 2.3162733e-06
OUrea CHTFE 1 0.0040981798 6.4015893e-06
OUrea OTFE 1 0.0023123672 1.5471243e-06
OUrea CUrea 1 0.0033988297 4.6481818e-06
NUrea O 1 0.0027538667 2.246101e-06
NUrea OM 1 0.0027538667 3.6593557e-06
NUrea OA 1 0.0027538667 2.4389079e-06
NUrea OE 1 0.0027538667 2.4389079e-06
NUrea OW 1 0.0029623175 3.2260371e-06
NUrea N 1 0.0028580921 3.8621011e-06
NUrea NT 1 0.0028580921 4.472325e-06
NUrea NL 1 0.0028580921 6.0982636e-06
NUrea NR 1 0.0028580921 3.6593557e-06
NUrea NZ 1 0.0028580921 4.2695796e-06
NUrea NE 1 0.0028580921 3.9435968e-06
NUrea C 1 0.0028013471 4.4166694e-06
NUrea CH0 1 0.0028349309 2.8483741e-05
NUrea CH1 1 0.0045106437 1.9578845e-05
NUrea CH2 1 0.0050039773 1.1584316e-05
NUrea CH3 1 0.0056773891 1.0260507e-05
NUrea CH4 1 0.0066472644 1.1651897e-05
NUrea CH2r 1 0.0049588129 1.0528847e-05
NUrea CR1 1 0.0042992978 7.7281776e-06
NUrea HC 1 0.0005327076 2.444871e-07
NUrea H 1 0 0
NUrea DUM 1 0 0
NUrea S 1 0.0057856678 7.1875232e-06
NUrea CU1+ 1 0.0011841163 1.4229944e-07
NUrea CU2+ 1 0.0011841163 1.4229944e-07
NUrea FE 1 0 0
NUrea ZN2+ 1 0.0011841163 1.9312493e-07
NUrea MG2+ 1 0.00046785624 1.1604193e-07
NUrea CA2+ 1 0.0018355251 1.4027199e-06
NUrea P 1 0.0070294242 9.3640547e-06
NUrea AR 1 0.0045830224 6.2374026e-06
NUrea F 1 0.001987231 2.4389079e-06
NUrea CL 1 0.0054208789 7.7738947e-06
NUrea BR 1 0.0096292689 1.6084468e-05
NUrea CMet 1 0.0054550416 8.74588e-06
NUrea OMet 1 0.0027538667 3.0312425e-06
NUrea NA+ 1 0.00049153857 2.882165e-07
NUrea CL- 1 0.0068036025 2.0552818e-05
NUrea CChl 1 0.0029699607 4.0072032e-06
NUrea CLChl 1 0.0052773373 7.3745658e-06
NUrea HChl 1 0.00035552442 1.3034144e-07
NUrea SDmso 1 0.0059506913 9.2161698e-06
NUrea CDmso 1 0.0056773891 1.0260507e-05
NUrea ODmso 1 0.0027591938 2.2361625e-06
NUrea CCl4 1 0.0029699607 5.4796914e-06
NUrea CLCl4 1 0.0050491995 7.1024496e-06
NUrea FTFE 1 0.001987231 1.9877e-06
NUrea CTFE 1 0.0028013471 3.6514049e-06
NUrea CHTFE 1 0.0048806439 1.0091553e-05
NUrea OTFE 1 0.0027538667 2.4389079e-06
NUrea CUrea 1 0.0040477671 7.3274573e-06
NUrea OUrea 1 0.0028152439 2.5062909e-06
SI O 1 0.005773784 5.32343e-06
SI OM 1 0.005773784 1.4453348e-05
SI OA 1 0.005773784 5.780397e-06
SI OE 1 0.005773784 5.780397e-06
SI OW 1 0.006210824 7.645953e-06
SI N 1 0.005992304 7.174853e-06
SI NT 1 0.005992304 7.174853e-06
SI NL 1 0.005992304 7.174853e-06
SI NR 1 0.005992304 8.672951e-06
SI NZ 1 0.005992304 7.174853e-06
SI NE 1 0.005992304 7.174853e-06
SI C 1 0.005873332 1.0467842e-05
SI CH0 1 0.005943744 6.750863e-05
SI CH1 1 0.00945706 4.640335e-05
SI CH2 1 0.010491388 2.7455708e-05
SI CH3 1 0.01190327 2.4318182e-05
SI CH4 1 0.01393672 2.7615882e-05
SI CH2r 1 0.010396696 2.4954167e-05
SI CR1 1 0.00901395 1.8316368e-05
SI HC 1 0.00111688 5.79453e-07
SI H 1 0 0
SI DUM 1 0 0
SI S 1 0.012130288 1.7034976e-05
SI CU1+ 1 0.00248263 3.3726049e-07
SI CU2+ 1 0.00248263 3.3726049e-07
SI FE 1 0 0
SI ZN2+ 1 0.00248263 4.5772076e-07
SI MG2+ 1 0.000980912 2.7502818e-07
SI CA2+ 1 0.00384838 3.3245527e-06
SI P 1 0.01473796 2.2193521e-05
SI AR 1 0.00960881 1.4783118e-05
SI F 1 0.004166448 5.780397e-06
SI CL 1 0.011365468 1.8424721e-05
SI BR 1 0.02018882 3.8121412e-05
SI CMet 1 0.011437094 2.07284e-05
SI OMet 1 0.005773784 7.184275e-06
SI NA+ 1 0.0010305646 6.83095e-07
SI CL- 1 0.0142645 4.871174e-05
SI CChl 1 0.0062268488 9.497376e-06
SI CLChl 1 0.011064517 1.7478281e-05
SI HChl 1 0.000745396 3.0891911e-07
SI SDmso 1 0.012476278 2.1843023e-05
SI CDmso 1 0.01190327 2.4318182e-05
SI ODmso 1 0.0057849528 5.299875e-06
SI CCl4 1 0.0062268488 1.2987285e-05
SI CLCl4 1 0.010586201 1.6833345e-05
SI FTFE 1 0.004166448 4.711e-06
SI CTFE 1 0.005873332 8.654107e-06
SI CHTFE 1 0.010232806 2.3917747e-05
SI OTFE 1 0.005773784 5.780397e-06
SI CUrea 1 0.0084865884 1.736663e-05
SI OUrea 1 0.005902468 5.9400999e-06
SI NUrea 1 0.0070294242 9.3640547e-06
[ pairtypes ]
; i j func c6 c12
O O 1 0.0022619536 7.4149321e-07
OM O 1 0.0022619536 7.4149321e-07
OM OM 1 0.0022619536 7.4149321e-07
OA O 1 0.0022619536 9.687375e-07
OA OM 1 0.0022619536 9.687375e-07
OA OA 1 0.0022619536 1.265625e-06
OE O 1 0.0022619536 9.687375e-07
OE OM 1 0.0022619536 9.687375e-07
OE OA 1 0.0022619536 1.265625e-06
OE OE 1 0.0022619536 1.265625e-06
OW O 1 0.0024331696 1.3975653e-06
OW OM 1 0.0024331696 1.3975653e-06
OW OA 1 0.0024331696 1.825875e-06
OW OE 1 0.0024331696 1.825875e-06
OW OW 1 0.0026173456 2.634129e-06
N O 1 0.0023475616 1.1202911e-06
N OM 1 0.0023475616 1.1202911e-06
N OA 1 0.0023475616 1.463625e-06
N OE 1 0.0023475616 1.463625e-06
N OW 1 0.0025252576 2.111523e-06
N N 1 0.0024364096 1.692601e-06
NT O 1 0.0023475616 1.1202911e-06
NT OM 1 0.0023475616 1.1202911e-06
NT OA 1 0.0023475616 1.463625e-06
NT OE 1 0.0023475616 1.463625e-06
NT OW 1 0.0025252576 2.111523e-06
NT N 1 0.0024364096 1.692601e-06
NT NT 1 0.0024364096 1.692601e-06
NL O 1 0.0023475616 1.1202911e-06
NL OM 1 0.0023475616 1.1202911e-06
NL OA 1 0.0023475616 1.463625e-06
NL OE 1 0.0023475616 1.463625e-06
NL OW 1 0.0025252576 2.111523e-06
NL N 1 0.0024364096 1.692601e-06
NL NT 1 0.0024364096 1.692601e-06
NL NL 1 0.0024364096 1.692601e-06
NR O 1 0.0023475616 1.1202911e-06
NR OM 1 0.0023475616 1.1202911e-06
NR OA 1 0.0023475616 1.463625e-06
NR OE 1 0.0023475616 1.463625e-06
NR OW 1 0.0025252576 2.111523e-06
NR N 1 0.0024364096 1.692601e-06
NR NT 1 0.0024364096 1.692601e-06
NR NL 1 0.0024364096 1.692601e-06
NR NR 1 0.0024364096 1.692601e-06
NZ O 1 0.0023475616 1.1202911e-06
NZ OM 1 0.0023475616 1.1202911e-06
NZ OA 1 0.0023475616 1.463625e-06
NZ OE 1 0.0023475616 1.463625e-06
NZ OW 1 0.0025252576 2.111523e-06
NZ N 1 0.0024364096 1.692601e-06
NZ NT 1 0.0024364096 1.692601e-06
NZ NL 1 0.0024364096 1.692601e-06
NZ NR 1 0.0024364096 1.692601e-06
NZ NZ 1 0.0024364096 1.692601e-06
NE O 1 0.0023475616 1.1202911e-06
NE OM 1 0.0023475616 1.1202911e-06
NE OA 1 0.0023475616 1.463625e-06
NE OE 1 0.0023475616 1.463625e-06
NE OW 1 0.0025252576 2.111523e-06
NE N 1 0.0024364096 1.692601e-06
NE NT 1 0.0024364096 1.692601e-06
NE NL 1 0.0024364096 1.692601e-06
NE NR 1 0.0024364096 1.692601e-06
NE NZ 1 0.0024364096 1.692601e-06
NE NE 1 0.0024364096 1.692601e-06
C O 1 0.0023009528 1.5818407e-06
C OM 1 0.0023009528 1.5818407e-06
C OA 1 0.0023009528 2.066625e-06
C OE 1 0.0023009528 2.066625e-06
C OW 1 0.0024751208 2.981451e-06
C N 1 0.0023880368 2.389937e-06
C NT 1 0.0023880368 2.389937e-06
C NL 1 0.0023880368 2.389937e-06
C NR 1 0.0023880368 2.389937e-06
C NZ 1 0.0023880368 2.389937e-06
C NE 1 0.0023880368 2.389937e-06
C C 1 0.0023406244 3.374569e-06
CH0 O 1 0.0023009528 1.5818407e-06
CH0 OM 1 0.0023009528 1.5818407e-06
CH0 OA 1 0.0023009528 2.066625e-06
CH0 OE 1 0.0023009528 2.066625e-06
CH0 OW 1 0.0024751208 2.981451e-06
CH0 N 1 0.0023880368 2.389937e-06
CH0 NT 1 0.0023880368 2.389937e-06
CH0 NL 1 0.0023880368 2.389937e-06
CH0 NR 1 0.0023880368 2.389937e-06
CH0 NZ 1 0.0023880368 2.389937e-06
CH0 NE 1 0.0023880368 2.389937e-06
CH0 C 1 0.0023406244 3.374569e-06
CH0 CH0 1 0.0023406244 3.374569e-06
CH1 O 1 0.0025663376 1.6645063e-06
CH1 OM 1 0.0025663376 1.6645063e-06
CH1 OA 1 0.0025663376 2.174625e-06
CH1 OE 1 0.0025663376 2.174625e-06
CH1 OW 1 0.0027605936 3.137259e-06
CH1 N 1 0.0026634656 2.514833e-06
CH1 NT 1 0.0026634656 2.514833e-06
CH1 NL 1 0.0026634656 2.514833e-06
CH1 NR 1 0.0026634656 2.514833e-06
CH1 NZ 1 0.0026634656 2.514833e-06
CH1 NE 1 0.0026634656 2.514833e-06
CH1 C 1 0.0026105848 3.550921e-06
CH1 CH0 1 0.0026105848 3.550921e-06
CH1 CH1 1 0.0029116816 3.736489e-06
CH2 O 1 0.0032687988 1.8751283e-06
CH2 OM 1 0.0032687988 1.8751283e-06
CH2 OA 1 0.0032687988 2.4497959e-06
CH2 OE 1 0.0032687988 2.4497959e-06
CH2 OW 1 0.0035162268 3.534239e-06
CH2 N 1 0.0033925128 2.8330529e-06
CH2 NT 1 0.0033925128 2.8330529e-06
CH2 NL 1 0.0033925128 2.8330529e-06
CH2 NR 1 0.0033925128 2.8330529e-06
CH2 NZ 1 0.0033925128 2.8330529e-06
CH2 NE 1 0.0033925128 2.8330529e-06
CH2 C 1 0.0033251574 4.0002446e-06
CH2 CH0 1 0.0033251574 4.0002446e-06
CH2 CH1 1 0.0037086708 4.2092938e-06
CH2 CH2 1 0.0047238129 4.7419261e-06
CH3 O 1 0.0039370168 2.1146739e-06
CH3 OM 1 0.0039370168 2.1146739e-06
CH3 OA 1 0.0039370168 2.7627548e-06
CH3 OE 1 0.0039370168 2.7627548e-06
CH3 OW 1 0.0042350248 3.9857342e-06
CH3 N 1 0.0040860208 3.1949724e-06
CH3 NT 1 0.0040860208 3.1949724e-06
CH3 NL 1 0.0040860208 3.1949724e-06
CH3 NR 1 0.0040860208 3.1949724e-06
CH3 NZ 1 0.0040860208 3.1949724e-06
CH3 NE 1 0.0040860208 3.1949724e-06
CH3 C 1 0.0040048964 4.5112715e-06
CH3 CH0 1 0.0040048964 4.5112715e-06
CH3 CH1 1 0.0044668088 4.7470266e-06
CH3 CH2 1 0.0056894694 5.347702e-06
CH3 CH3 1 0.0068525284 6.0308652e-06
CH4 O 1 0.005459888 5.0477682e-06
CH4 OM 1 0.005459888 5.0477682e-06
CH4 OA 1 0.005459888 6.59475e-06
CH4 OE 1 0.005459888 6.59475e-06
CH4 OW 1 0.005873168 9.514026e-06
CH4 N 1 0.005666528 7.626462e-06
CH4 NT 1 0.005666528 7.626462e-06
CH4 NL 1 0.005666528 7.626462e-06
CH4 NR 1 0.005666528 7.626462e-06
CH4 NZ 1 0.005666528 7.626462e-06
CH4 NE 1 0.005666528 7.626462e-06
CH4 C 1 0.005554024 1.0768494e-05
CH4 CH0 1 0.005554024 1.0768494e-05
CH4 CH1 1 0.006194608 1.1331246e-05
CH4 CH2 1 0.007890204 1.276507e-05
CH4 CH3 1 0.009503144 1.4395794e-05
CH4 CH4 1 0.01317904 3.4363044e-05
CH2r O 1 0.0032687988 1.8751283e-06
CH2r OM 1 0.0032687988 1.8751283e-06
CH2r OA 1 0.0032687988 2.4497959e-06
CH2r OE 1 0.0032687988 2.4497959e-06
CH2r OW 1 0.0035162268 3.534239e-06
CH2r N 1 0.0033925128 2.8330529e-06
CH2r NT 1 0.0033925128 2.8330529e-06
CH2r NL 1 0.0033925128 2.8330529e-06
CH2r NR 1 0.0033925128 2.8330529e-06
CH2r NZ 1 0.0033925128 2.8330529e-06
CH2r NE 1 0.0033925128 2.8330529e-06
CH2r C 1 0.0033251574 4.0002446e-06
CH2r CH0 1 0.0033251574 4.0002446e-06
CH2r CH1 1 0.0037086708 4.2092938e-06
CH2r CH2 1 0.0047238129 4.7419261e-06
CH2r CH3 1 0.0056894694 5.347702e-06
CH2r CH4 1 0.007890204 1.276507e-05
CH2r CH2r 1 0.0047238129 4.7419261e-06
CR1 O 1 0.003536086 2.4851346e-06
CR1 OM 1 0.003536086 2.4851346e-06
CR1 OA 1 0.003536086 3.24675e-06
CR1 OE 1 0.003536086 3.24675e-06
CR1 OW 1 0.003803746 4.683978e-06
CR1 N 1 0.003669916 3.754686e-06
CR1 NT 1 0.003669916 3.754686e-06
CR1 NL 1 0.003669916 3.754686e-06
CR1 NR 1 0.003669916 3.754686e-06
CR1 NZ 1 0.003669916 3.754686e-06
CR1 NE 1 0.003669916 3.754686e-06
CR1 C 1 0.003597053 5.301582e-06
CR1 CH0 1 0.003597053 5.301582e-06
CR1 CH1 1 0.004011926 5.578638e-06
CR1 CH2 1 0.0051100755 6.2845432e-06
CR1 CH3 1 0.006154693 7.0873869e-06
CR1 CH4 1 0.00853538 1.6917732e-05
CR1 CH2r 1 0.0051100755 6.2845432e-06
CR1 CR1 1 0.0055279225 8.328996e-06
HC O 1 0.000437552 1.059153e-07
HC OM 1 0.000437552 1.059153e-07
HC OA 1 0.000437552 1.38375e-07
HC OE 1 0.000437552 1.38375e-07
HC OW 1 0.000470672 1.99629e-07
HC N 1 0.000454112 1.60023e-07
HC NT 1 0.000454112 1.60023e-07
HC NL 1 0.000454112 1.60023e-07
HC NR 1 0.000454112 1.60023e-07
HC NZ 1 0.000454112 1.60023e-07
HC NE 1 0.000454112 1.60023e-07
HC C 1 0.000445096 2.25951e-07
HC CH0 1 0.000445096 2.25951e-07
HC CH1 1 0.000496432 2.37759e-07
HC CH2 1 0.000632316 2.6784436e-07
HC CH3 1 0.000761576 3.0206119e-07
HC CH4 1 0.00105616 7.21026e-07
HC CH2r 1 0.000632316 2.6784436e-07
HC CR1 1 0.00068402 3.54978e-07
HC HC 1 8.464e-05 1.5129e-08
H O 1 0 0
H OM 1 0 0
H OA 1 0 0
H OE 1 0 0
H OW 1 0 0
H N 1 0 0
H NT 1 0 0
H NL 1 0 0
H NR 1 0 0
H NZ 1 0 0
H NE 1 0 0
H C 1 0 0
H CH0 1 0 0
H CH1 1 0 0
H CH2 1 0 0
H CH3 1 0 0
H CH4 1 0 0
H CH2r 1 0 0
H CR1 1 0 0
H HC 1 0 0
H H 1 0 0
DUM O 1 0 0
DUM OM 1 0 0
DUM OA 1 0 0
DUM OE 1 0 0
DUM OW 1 0 0
DUM N 1 0 0
DUM NT 1 0 0
DUM NL 1 0 0
DUM NR 1 0 0
DUM NZ 1 0 0
DUM NE 1 0 0
DUM C 1 0 0
DUM CH0 1 0 0
DUM CH1 1 0 0
DUM CH2 1 0 0
DUM CH3 1 0 0
DUM CH4 1 0 0
DUM CH2r 1 0 0
DUM CR1 1 0 0
DUM HC 1 0 0
DUM H 1 0 0
DUM DUM 1 0 0
S O 1 0.0047521952 3.1137376e-06
S OM 1 0.0047521952 3.1137376e-06
S OA 1 0.0047521952 4.068e-06
S OE 1 0.0047521952 4.068e-06
S OW 1 0.0051119072 5.868768e-06
S N 1 0.0049320512 4.704416e-06
S NT 1 0.0049320512 4.704416e-06
S NL 1 0.0049320512 4.704416e-06
S NR 1 0.0049320512 4.704416e-06
S NZ 1 0.0049320512 4.704416e-06
S NE 1 0.0049320512 4.704416e-06
S C 1 0.0048341296 6.642592e-06
S CH0 1 0.0048341296 6.642592e-06
S CH1 1 0.0053916832 6.989728e-06
S CH2 1 0.0068675016 7.8741886e-06
S CH3 1 0.0082713776 8.8801077e-06
S CH4 1 0.011470816 2.1196992e-05
S CH2r 1 0.0068675016 7.8741886e-06
S CR1 1 0.007429052 1.0435776e-05
S HC 1 0.000919264 4.44768e-07
S H 1 0 0
S DUM 1 0 0
S S 1 0.0099840064 1.3075456e-05
CU1+ O 1 0.000972602 6.1646149e-08
CU1+ OM 1 0.000972602 6.1646149e-08
CU1+ OA 1 0.000972602 8.053875e-08
CU1+ OE 1 0.000972602 8.053875e-08
CU1+ OW 1 0.001046222 1.1619057e-07
CU1+ N 1 0.001009412 9.313859e-08
CU1+ NT 1 0.001009412 9.313859e-08
CU1+ NL 1 0.001009412 9.313859e-08
CU1+ NR 1 0.001009412 9.313859e-08
CU1+ NZ 1 0.001009412 9.313859e-08
CU1+ NE 1 0.001009412 9.313859e-08
CU1+ C 1 0.000989371 1.3151083e-07
CU1+ CH0 1 0.000989371 1.3151083e-07
CU1+ CH1 1 0.001103482 1.3838347e-07
CU1+ CH2 1 0.0014055285 1.5589413e-07
CU1+ CH3 1 0.001692851 1.7580943e-07
CU1+ CH4 1 0.00234766 4.1966058e-07
CU1+ CH2r 1 0.0014055285 1.5589413e-07
CU1+ CR1 1 0.0015204575 2.0660874e-07
CU1+ HC 1 0.00018814 8.80557e-09
CU1+ H 1 0 0
CU1+ DUM 1 0 0
CU1+ S 1 0.002043364 2.5886944e-07
CU1+ CU1+ 1 0.0004182025 5.1251281e-09
CU2+ O 1 0.000972602 6.1646149e-08
CU2+ OM 1 0.000972602 6.1646149e-08
CU2+ OA 1 0.000972602 8.053875e-08
CU2+ OE 1 0.000972602 8.053875e-08
CU2+ OW 1 0.001046222 1.1619057e-07
CU2+ N 1 0.001009412 9.313859e-08
CU2+ NT 1 0.001009412 9.313859e-08
CU2+ NL 1 0.001009412 9.313859e-08
CU2+ NR 1 0.001009412 9.313859e-08
CU2+ NZ 1 0.001009412 9.313859e-08
CU2+ NE 1 0.001009412 9.313859e-08
CU2+ C 1 0.000989371 1.3151083e-07
CU2+ CH0 1 0.000989371 1.3151083e-07
CU2+ CH1 1 0.001103482 1.3838347e-07
CU2+ CH2 1 0.0014055285 1.5589413e-07
CU2+ CH3 1 0.001692851 1.7580943e-07
CU2+ CH4 1 0.00234766 4.1966058e-07
CU2+ CH2r 1 0.0014055285 1.5589413e-07
CU2+ CR1 1 0.0015204575 2.0660874e-07
CU2+ HC 1 0.00018814 8.80557e-09
CU2+ H 1 0 0
CU2+ DUM 1 0 0
CU2+ S 1 0.002043364 2.5886944e-07
CU2+ CU1+ 1 0.0004182025 5.1251281e-09
CU2+ CU2+ 1 0.0004182025 5.1251281e-09
FE O 1 0 0
FE OM 1 0 0
FE OA 1 0 0
FE OE 1 0 0
FE OW 1 0 0
FE N 1 0 0
FE NT 1 0 0
FE NL 1 0 0
FE NR 1 0 0
FE NZ 1 0 0
FE NE 1 0 0
FE C 1 0 0
FE CH0 1 0 0
FE CH1 1 0 0
FE CH2 1 0 0
FE CH3 1 0 0
FE CH4 1 0 0
FE CH2r 1 0 0
FE CR1 1 0 0
FE HC 1 0 0
FE H 1 0 0
FE DUM 1 0 0
FE S 1 0 0
FE CU1+ 1 0 0
FE CU2+ 1 0 0
FE FE 1 0 0
ZN2+ O 1 0.000972602 8.3664476e-08
ZN2+ OM 1 0.000972602 8.3664476e-08
ZN2+ OA 1 0.000972602 1.09305e-07
ZN2+ OE 1 0.000972602 1.09305e-07
ZN2+ OW 1 0.001046222 1.5769068e-07
ZN2+ N 1 0.001009412 1.2640516e-07
ZN2+ NT 1 0.001009412 1.2640516e-07
ZN2+ NL 1 0.001009412 1.2640516e-07
ZN2+ NR 1 0.001009412 1.2640516e-07
ZN2+ NZ 1 0.001009412 1.2640516e-07
ZN2+ NE 1 0.001009412 1.2640516e-07
ZN2+ C 1 0.000989371 1.7848292e-07
ZN2+ CH0 1 0.000989371 1.7848292e-07
ZN2+ CH1 1 0.001103482 1.8781028e-07
ZN2+ CH2 1 0.0014055285 2.1157527e-07
ZN2+ CH3 1 0.001692851 2.3860378e-07
ZN2+ CH4 1 0.00234766 5.6955192e-07
ZN2+ CH2r 1 0.0014055285 2.1157527e-07
ZN2+ CR1 1 0.0015204575 2.8040376e-07
ZN2+ HC 1 0.00018814 1.195068e-08
ZN2+ H 1 0 0
ZN2+ DUM 1 0 0
ZN2+ S 1 0.002043364 3.5133056e-07
ZN2+ CU1+ 1 0.0004182025 6.9556844e-09
ZN2+ CU2+ 1 0.0004182025 6.9556844e-09
ZN2+ FE 1 0 0
ZN2+ ZN2+ 1 0.0004182025 9.4400656e-09
MG2+ O 1 0.0003842848 5.0271018e-08
MG2+ OM 1 0.0003842848 5.0271018e-08
MG2+ OA 1 0.0003842848 6.56775e-08
MG2+ OE 1 0.0003842848 6.56775e-08
MG2+ OW 1 0.0004133728 9.475074e-08
MG2+ N 1 0.0003988288 7.595238e-08
MG2+ NT 1 0.0003988288 7.595238e-08
MG2+ NL 1 0.0003988288 7.595238e-08
MG2+ NR 1 0.0003988288 7.595238e-08
MG2+ NZ 1 0.0003988288 7.595238e-08
MG2+ NE 1 0.0003988288 7.595238e-08
MG2+ C 1 0.0003909104 1.0724406e-07
MG2+ CH0 1 0.0003909104 1.0724406e-07
MG2+ CH1 1 0.0004359968 1.1284854e-07
MG2+ CH2 1 0.0005553384 1.2712808e-07
MG2+ CH3 1 0.0006688624 1.4336855e-07
MG2+ CH4 1 0.000927584 3.4222356e-07
MG2+ CH2r 1 0.0005553384 1.2712808e-07
MG2+ CR1 1 0.000600748 1.6848468e-07
MG2+ HC 1 7.4336e-05 7.18074e-09
MG2+ H 1 0 0
MG2+ DUM 1 0 0
MG2+ S 1 0.0008073536 2.1110208e-07
MG2+ CU1+ 1 0.000165236 4.1794242e-09
MG2+ CU2+ 1 0.000165236 4.1794242e-09
MG2+ FE 1 0 0
MG2+ ZN2+ 1 0.000165236 5.6722008e-09
MG2+ MG2+ 1 6.52864e-05 3.4082244e-09
CA2+ O 1 0.001507652 6.0767827e-07
CA2+ OM 1 0.001507652 6.0767827e-07
CA2+ OA 1 0.001507652 7.939125e-07
CA2+ OE 1 0.001507652 7.939125e-07
CA2+ OW 1 0.001621772 1.1453511e-06
CA2+ N 1 0.001564712 9.181157e-07
CA2+ NT 1 0.001564712 9.181157e-07
CA2+ NL 1 0.001564712 9.181157e-07
CA2+ NR 1 0.001564712 9.181157e-07
CA2+ NZ 1 0.001564712 9.181157e-07
CA2+ NE 1 0.001564712 9.181157e-07
CA2+ C 1 0.001533646 1.2963709e-06
CA2+ CH0 1 0.001533646 1.2963709e-06
CA2+ CH1 1 0.001710532 1.3641181e-06
CA2+ CH2 1 0.002178741 1.5367298e-06
CA2+ CH3 1 0.002624126 1.7330454e-06
CA2+ CH4 1 0.00363916 4.1368134e-06
CA2+ CH2r 1 0.002178741 1.5367298e-06
CA2+ CR1 1 0.002356895 2.0366502e-06
CA2+ HC 1 0.00029164 8.68011e-08
CA2+ H 1 0 0
CA2+ DUM 1 0 0
CA2+ S 1 0.003167464 2.5518112e-06
CA2+ CU1+ 1 0.000648265 5.0521063e-08
CA2+ CU2+ 1 0.000648265 5.0521063e-08
CA2+ FE 1 0 0
CA2+ ZN2+ 1 0.000648265 6.8565812e-08
CA2+ MG2+ 1 0.000256136 4.1198766e-08
CA2+ CA2+ 1 0.00100489 4.9801249e-07
P O 1 0.005773784 4.0566421e-06
P OM 1 0.005773784 4.0566421e-06
P OA 1 0.005773784 5.299875e-06
P OE 1 0.005773784 5.299875e-06
P OW 1 0.006210824 7.645953e-06
P N 1 0.005992304 6.129011e-06
P NT 1 0.005992304 6.129011e-06
P NL 1 0.005992304 6.129011e-06
P NR 1 0.005992304 6.129011e-06
P NZ 1 0.005992304 6.129011e-06
P NE 1 0.005992304 6.129011e-06
P C 1 0.005873332 8.654107e-06
P CH0 1 0.005873332 8.654107e-06
P CH1 1 0.006550744 9.106363e-06
P CH2 1 0.008343822 1.0258657e-05
P CH3 1 0.010049492 1.1569189e-05
P CH4 1 0.01393672 2.7615882e-05
P CH2r 1 0.008343822 1.0258657e-05
P CR1 1 0.00902609 1.3595946e-05
P HC 1 0.00111688 5.79453e-07
P H 1 0 0
P DUM 1 0 0
P S 1 0.012130288 1.7034976e-05
P CU1+ 1 0.00248263 3.3726049e-07
P CU2+ 1 0.00248263 3.3726049e-07
P FE 1 0 0
P ZN2+ 1 0.00248263 4.5772076e-07
P MG2+ 1 0.000980912 2.7502818e-07
P CA2+ 1 0.00384838 3.3245527e-06
P P 1 0.01473796 2.2193521e-05
AR O 1 0.003764374 2.7021318e-06
AR OM 1 0.003764374 2.7021318e-06
AR OA 1 0.003764374 3.53025e-06
AR OE 1 0.003764374 3.53025e-06
AR OW 1 0.004049314 5.092974e-06
AR N 1 0.003906844 4.082538e-06
AR NT 1 0.003906844 4.082538e-06
AR NL 1 0.003906844 4.082538e-06
AR NR 1 0.003906844 4.082538e-06
AR NZ 1 0.003906844 4.082538e-06
AR NE 1 0.003906844 4.082538e-06
AR C 1 0.003829277 5.764506e-06
AR CH0 1 0.003829277 5.764506e-06
AR CH1 1 0.004270934 6.065754e-06
AR CH2 1 0.0054399795 6.8332975e-06
AR CH3 1 0.006552037 7.7062439e-06
AR CH4 1 0.00908642 1.8394956e-05
AR CH2r 1 0.0054399795 6.8332975e-06
AR CR1 1 0.0058848025 9.056268e-06
AR HC 1 0.00072818 3.85974e-07
AR H 1 0 0
AR DUM 1 0 0
AR S 1 0.007908668 1.1347008e-05
AR CU1+ 1 0.0016186175 2.2464942e-07
AR CU2+ 1 0.0016186175 2.2464942e-07
AR FE 1 0 0
AR ZN2+ 1 0.0016186175 3.0488808e-07
AR MG2+ 1 0.000639532 1.8319644e-07
AR CA2+ 1 0.002509055 2.2144866e-06
AR P 1 0.00960881 1.4783118e-05
AR AR 1 0.0062647225 9.847044e-06
F O 1 0.0016322592 7.5105142e-07
F OM 1 0.0016322592 7.5105142e-07
F OA 1 0.0016322592 9.81225e-07
F OE 1 0.0016322592 9.81225e-07
F OW 1 0.0017558112 1.4155806e-06
F N 1 0.0016940352 1.1347322e-06
F NT 1 0.0016940352 1.1347322e-06
F NL 1 0.0016940352 1.1347322e-06
F NR 1 0.0016940352 1.1347322e-06
F NZ 1 0.0016940352 1.1347322e-06
F NE 1 0.0016940352 1.1347322e-06
F C 1 0.0016604016 1.6022314e-06
F CH0 1 0.0016604016 1.6022314e-06
F CH1 1 0.0018519072 1.6859626e-06
F CH2 1 0.0023588136 1.8992996e-06
F CH3 1 0.0028410096 2.1419331e-06
F CH4 1 0.003939936 5.1128364e-06
F CH2r 1 0.0023588136 1.8992996e-06
F CR1 1 0.002551692 2.5171692e-06
F HC 1 0.000315744 1.072806e-07
F H 1 0 0
F DUM 1 0 0
F S 1 0.0034292544 3.1538752e-06
F CU1+ 1 0.000701844 6.2440798e-08
F CU2+ 1 0.000701844 6.2440798e-08
F FE 1 0 0
F ZN2+ 1 0.000701844 8.4742952e-08
F MG2+ 1 0.0002773056 5.0919036e-08
F CA2+ 1 0.001087944 6.1551154e-07
F P 1 0.004166448 4.1089342e-06
F AR 1 0.002716428 2.7369636e-06
F F 1 0.0011778624 7.6073284e-07
CL O 1 0.0044525672 3.3677621e-06
CL OM 1 0.0044525672 3.3677621e-06
CL OA 1 0.0044525672 4.399875e-06
CL OE 1 0.0044525672 4.399875e-06
CL OW 1 0.0047895992 6.347553e-06
CL N 1 0.0046210832 5.088211e-06
CL NT 1 0.0046210832 5.088211e-06
CL NL 1 0.0046210832 5.088211e-06
CL NR 1 0.0046210832 5.088211e-06
CL NZ 1 0.0046210832 5.088211e-06
CL NE 1 0.0046210832 5.088211e-06
CL C 1 0.0045293356 7.184507e-06
CL CH0 1 0.0045293356 7.184507e-06
CL CH1 1 0.0050517352 7.559963e-06
CL CH2 1 0.0064345026 8.5165795e-06
CL CH3 1 0.0077498636 9.6045634e-06
CL CH4 1 0.010747576 2.2926282e-05
CL CH2r 1 0.0064345026 8.5165795e-06
CL CR1 1 0.006960647 1.1287146e-05
CL HC 1 0.000861304 4.81053e-07
CL H 1 0 0
CL DUM 1 0 0
CL S 1 0.0093545104 1.4142176e-05
CL CU1+ 1 0.001914529 2.7998849e-07
CL CU2+ 1 0.001914529 2.7998849e-07
CL FE 1 0 0
CL ZN2+ 1 0.001914529 3.7999276e-07
CL MG2+ 1 0.0007564496 2.2832418e-07
CL CA2+ 1 0.002967754 2.7599927e-06
CL P 1 0.011365468 1.8424721e-05
CL AR 1 0.007410023 1.2272718e-05
CL F 1 0.0032130384 3.4111742e-06
CL CL 1 0.0087647044 1.5295921e-05
BR O 1 0.007909228 6.9680212e-06
BR OM 1 0.007909228 6.9680212e-06
BR OA 1 0.007909228 9.1035e-06
BR OE 1 0.007909228 9.1035e-06
BR OW 1 0.008507908 1.3133316e-05
BR N 1 0.008208568 1.0527692e-05
BR NT 1 0.008208568 1.0527692e-05
BR NL 1 0.008208568 1.0527692e-05
BR NR 1 0.008208568 1.0527692e-05
BR NZ 1 0.008208568 1.0527692e-05
BR NE 1 0.008208568 1.0527692e-05
BR C 1 0.008045594 1.4865004e-05
BR CH0 1 0.008045594 1.4865004e-05
BR CH1 1 0.008973548 1.5641836e-05
BR CH2 1 0.011429799 1.762111e-05
BR CH3 1 0.013766314 1.9872188e-05
BR CH4 1 0.01909124 4.7435304e-05
BR CH2r 1 0.011429799 1.762111e-05
BR CR1 1 0.012364405 2.3353512e-05
BR HC 1 0.00152996 9.95316e-07
BR H 1 0 0
BR DUM 1 0 0
BR S 1 0.016616696 2.9260672e-05
BR CU1+ 1 0.003400835 5.7930628e-07
BR CU2+ 1 0.003400835 5.7930628e-07
BR FE 1 0 0
BR ZN2+ 1 0.003400835 7.8621872e-07
BR MG2+ 1 0.001343704 4.7241096e-07
BR CA2+ 1 0.00527171 5.7105244e-06
BR P 1 0.02018882 3.8121412e-05
BR AR 1 0.013162645 2.5392696e-05
BR F 1 0.005707416 7.0578424e-06
BR CL 1 0.015569006 3.1647812e-05
BR BR 1 0.02765569 6.5480464e-05
CMet O 1 0.0044806276 3.78884e-06
CMet OM 1 0.0044806276 3.78884e-06
CMet OA 1 0.0044806276 4.95e-06
CMet OE 1 0.0044806276 4.95e-06
CMet OW 1 0.0048197836 7.1412e-06
CMet N 1 0.0046502056 5.7244e-06
CMet NT 1 0.0046502056 5.7244e-06
CMet NL 1 0.0046502056 5.7244e-06
CMet NR 1 0.0046502056 5.7244e-06
CMet NZ 1 0.0046502056 5.7244e-06
CMet NE 1 0.0046502056 5.7244e-06
CMet C 1 0.0045578798 8.0828e-06
CMet CH0 1 0.0045578798 8.0828e-06
CMet CH1 1 0.0050835716 8.5052e-06
CMet CH2 1 0.0064750533 9.5814242e-06
CMet CH3 1 0.0077987038 1.0805441e-05
CMet CH4 1 0.010815308 2.57928e-05
CMet CH2r 1 0.0064750533 9.5814242e-06
CMet CR1 1 0.0070045135 1.26984e-05
CMet HC 1 0.000866732 5.412e-07
CMet H 1 0 0
CMet DUM 1 0 0
CMet S 1 0.0094134632 1.59104e-05
CMet CU1+ 1 0.0019265945 3.14996e-07
CMet CU2+ 1 0.0019265945 3.14996e-07
CMet FE 1 0 0
CMet ZN2+ 1 0.0019265945 4.27504e-07
CMet MG2+ 1 0.0007612168 2.56872e-07
CMet CA2+ 1 0.002986457 3.10508e-06
CMet P 1 0.011437094 2.07284e-05
CMet AR 1 0.0074567215 1.38072e-05
CMet F 1 0.0032332872 3.83768e-06
CMet CL 1 0.0088199402 1.72084e-05
CMet BR 1 0.015667123 3.56048e-05
CMet CMet 1 0.0088755241 1.936e-05
OMet O 1 0.0022619536 1.3131775e-06
OMet OM 1 0.0022619536 1.3131775e-06
OMet OA 1 0.0022619536 1.715625e-06
OMet OE 1 0.0022619536 1.715625e-06
OMet OW 1 0.0024331696 2.475075e-06
OMet N 1 0.0023475616 1.984025e-06
OMet NT 1 0.0023475616 1.984025e-06
OMet NL 1 0.0023475616 1.984025e-06
OMet NR 1 0.0023475616 1.984025e-06
OMet NZ 1 0.0023475616 1.984025e-06
OMet NE 1 0.0023475616 1.984025e-06
OMet C 1 0.0023009528 2.801425e-06
OMet CH0 1 0.0023009528 2.801425e-06
OMet CH1 1 0.0025663376 2.947825e-06
OMet CH2 1 0.0032687988 3.3208345e-06
OMet CH3 1 0.0039370168 3.7450676e-06
OMet CH4 1 0.005459888 8.93955e-06
OMet CH2r 1 0.0032687988 3.3208345e-06
OMet CR1 1 0.003536086 4.40115e-06
OMet HC 1 0.000437552 1.87575e-07
OMet H 1 0 0
OMet DUM 1 0 0
OMet S 1 0.0047521952 5.5144e-06
OMet CU1+ 1 0.000972602 1.0917475e-07
OMet CU2+ 1 0.000972602 1.0917475e-07
OMet FE 1 0 0
OMet ZN2+ 1 0.000972602 1.48169e-07
OMet MG2+ 1 0.0003842848 8.90295e-08
OMet CA2+ 1 0.001507652 1.0761925e-06
OMet P 1 0.005773784 7.184275e-06
OMet AR 1 0.003764374 4.78545e-06
OMet F 1 0.0016322592 1.330105e-06
OMet CL 1 0.0044525672 5.964275e-06
OMet BR 1 0.007909228 1.23403e-05
OMet CMet 1 0.0044806276 6.71e-06
OMet OMet 1 0.0022619536 2.325625e-06
NA+ O 1 0.00040373684 1.248595e-07
NA+ OM 1 0.00040373684 1.248595e-07
NA+ OA 1 0.00040373684 1.63125e-07
NA+ OE 1 0.00040373684 1.63125e-07
NA+ OW 1 0.00043429724 2.35335e-07
NA+ N 1 0.00041901704 1.88645e-07
NA+ NT 1 0.00041901704 1.88645e-07
NA+ NL 1 0.00041901704 1.88645e-07
NA+ NR 1 0.00041901704 1.88645e-07
NA+ NZ 1 0.00041901704 1.88645e-07
NA+ NE 1 0.00041901704 1.88645e-07
NA+ C 1 0.00041069782 2.66365e-07
NA+ CH0 1 0.00041069782 2.66365e-07
NA+ CH1 1 0.00045806644 2.80285e-07
NA+ CH2 1 0.00058344897 3.1575148e-07
NA+ CH3 1 0.00070271942 3.5608839e-07
NA+ CH4 1 0.0009745372 8.4999e-07
NA+ CH2r 1 0.00058344897 3.1575148e-07
NA+ CR1 1 0.00063115715 4.1847e-07
NA+ HC 1 7.80988e-05 1.7835e-08
NA+ H 1 0 0
NA+ DUM 1 0 0
NA+ S 1 0.00084822088 5.2432e-07
NA+ CU1+ 1 0.00017360005 1.038055e-08
NA+ CU2+ 1 0.00017360005 1.038055e-08
NA+ FE 1 0 0
NA+ ZN2+ 1 0.00017360005 1.40882e-08
NA+ MG2+ 1 6.859112e-05 8.4651e-09
NA+ CA2+ 1 0.0002691013 1.023265e-07
NA+ P 1 0.0010305646 6.83095e-07
NA+ AR 1 0.00067190435 4.5501e-07
NA+ F 1 0.00029134248 1.26469e-07
NA+ CL 1 0.00079474018 5.67095e-07
NA+ BR 1 0.0014117207 1.17334e-06
NA+ CMet 1 0.00079974869 6.38e-07
NA+ OMet 1 0.00040373684 2.21125e-07
NA+ NA+ 1 7.2063121e-05 2.1025e-08
CL- O 1 0.0055883 8.903774e-06
CL- OM 1 0.0055883 8.903774e-06
CL- OA 1 0.0055883 1.16325e-05
CL- OE 1 0.0055883 1.16325e-05
CL- OW 1 0.0060113 1.678182e-05
CL- N 1 0.0057998 1.345234e-05
CL- NT 1 0.0057998 1.345234e-05
CL- NL 1 0.0057998 1.345234e-05
CL- NR 1 0.0057998 1.345234e-05
CL- NZ 1 0.0057998 1.345234e-05
CL- NE 1 0.0057998 1.345234e-05
CL- C 1 0.00568465 1.899458e-05
CL- CH0 1 0.00568465 1.899458e-05
CL- CH1 1 0.0063403 1.998722e-05
CL- CH2 1 0.008075775 2.2516347e-05
CL- CH3 1 0.00972665 2.5392786e-05
CL- CH4 1 0.013489 6.061308e-05
CL- CH2r 1 0.008075775 2.2516347e-05
CL- CR1 1 0.008736125 2.984124e-05
CL- HC 1 0.001081 1.27182e-06
CL- H 1 0 0
CL- DUM 1 0 0
CL- S 1 0.0117406 3.738944e-05
CL- CU1+ 1 0.002402875 7.402406e-07
CL- CU2+ 1 0.002402875 7.402406e-07
CL- FE 1 0 0
CL- ZN2+ 1 0.002402875 1.0046344e-06
CL- MG2+ 1 0.0009494 6.036492e-07
CL- CA2+ 1 0.00372475 7.296938e-06
CL- P 1 0.0142645 4.871174e-05
CL- AR 1 0.009300125 3.244692e-05
CL- F 1 0.0040326 9.018548e-06
CL- CL 1 0.01100035 4.043974e-05
CL- BR 1 0.01954025 8.367128e-05
CL- CMet 1 0.011069675 4.5496e-05
CL- OMet 1 0.0055883 1.57685e-05
CL- NA+ 1 0.0009974575 1.4993e-06
CL- CL- 1 0.01380625 0.0001069156
CChl O 1 0.0024394475 1.7359776e-06
CChl OM 1 0.0024394475 1.7359776e-06
CChl OA 1 0.0024394475 2.268e-06
CChl OE 1 0.0024394475 2.268e-06
CChl OW 1 0.0026240987 3.271968e-06
CChl N 1 0.0025317731 2.622816e-06
CChl NT 1 0.0025317731 2.622816e-06
CChl NL 1 0.0025317731 2.622816e-06
CChl NR 1 0.0025317731 2.622816e-06
CChl NZ 1 0.0025317731 2.622816e-06
CChl NE 1 0.0025317731 2.622816e-06
CChl C 1 0.002481507 3.703392e-06
CChl CH0 1 0.002481507 3.703392e-06
CChl CH1 1 0.0027677163 3.896928e-06
CChl CH2 1 0.0035252992 4.3900343e-06
CChl CH3 1 0.0042459518 4.9508565e-06
CChl CH4 1 0.0058883216 1.1817792e-05
CChl CH2r 1 0.0035252992 4.3900343e-06
CChl CR1 1 0.0038135602 5.818176e-06
CChl HC 1 0.0004718864 2.47968e-07
CChl H 1 0 0
CChl DUM 1 0 0
CChl S 1 0.0051250966 7.289856e-06
CChl CU1+ 1 0.0010489214 1.4432544e-07
CChl CU2+ 1 0.0010489214 1.4432544e-07
CChl FE 1 0 0
CChl ZN2+ 1 0.0010489214 1.9587456e-07
CChl MG2+ 1 0.00041443936 1.1769408e-07
CChl CA2+ 1 0.0016259564 1.4226912e-06
CChl P 1 0.0062268488 9.497376e-06
CChl AR 1 0.0040597618 6.326208e-06
CChl F 1 0.0017603414 1.7583552e-06
CChl CL 1 0.004801957 7.884576e-06
CChl BR 1 0.0085298596 1.6313472e-05
CChl CMet 1 0.0048322193 8.8704e-06
CChl OMet 1 0.0024394475 3.0744e-06
CChl NA+ 1 0.00043541779 2.9232e-07
CChl CL- 1 0.00602681 2.084544e-05
CChl CChl 1 0.0026308693 4.064256e-06
CLChl O 1 0.004334666 3.1947671e-06
CLChl OM 1 0.004334666 3.1947671e-06
CLChl OA 1 0.004334666 4.1738625e-06
CLChl OE 1 0.004334666 4.1738625e-06
CLChl OW 1 0.0046627736 6.0214923e-06
CLChl N 1 0.0044987198 4.8268401e-06
CLChl NT 1 0.0044987198 4.8268401e-06
CLChl NL 1 0.0044987198 4.8268401e-06
CLChl NR 1 0.0044987198 4.8268401e-06
CLChl NZ 1 0.0044987198 4.8268401e-06
CLChl NE 1 0.0044987198 4.8268401e-06
CLChl C 1 0.0044094016 6.8154537e-06
CLChl CH0 1 0.0044094016 6.8154537e-06
CLChl CH1 1 0.0049179684 7.1716233e-06
CLChl CH2 1 0.0062641209 8.0791004e-06
CLChl CH3 1 0.007544652 9.1111968e-06
CLChl CH4 1 0.010462987 2.1748606e-05
CLChl CH2r 1 0.0062641209 8.0791004e-06
CLChl CR1 1 0.0067763334 1.0707349e-05
CLChl HC 1 0.0008384972 4.563423e-07
CLChl H 1 0 0
CLChl DUM 1 0 0
CLChl S 1 0.0091068087 1.3415722e-05
CLChl CU1+ 1 0.0018638335 2.6560606e-07
CLChl CU2+ 1 0.0018638335 2.6560606e-07
CLChl FE 1 0 0
CLChl ZN2+ 1 0.0018638335 3.6047332e-07
CLChl MG2+ 1 0.00073641928 2.1659564e-07
CLChl CA2+ 1 0.0028891697 2.6182176e-06
CLChl P 1 0.011064517 1.7478281e-05
CLChl AR 1 0.0072138101 1.1642294e-05
CLChl F 1 0.0031279591 3.2359492e-06
CLChl CL 1 0.0085326204 1.4510201e-05
CLChl BR 1 0.015156748 3.0022129e-05
CLChl CMet 1 0.0085863936 1.632444e-05
CLChl OMet 1 0.004334666 5.6579025e-06
CLChl NA+ 1 0.00077369595 5.379645e-07
CLChl CL- 1 0.010709067 3.8362434e-05
CLChl CChl 1 0.0046754 7.4813e-06
CLChl CLChl 1 0.0083066819 1.3764842e-05
HChl O 1 0.0002920184 5.6465771e-08
HChl OM 1 0.0002920184 5.6465771e-08
HChl OA 1 0.0002920184 7.377075e-08
HChl OE 1 0.0002920184 7.377075e-08
HChl OW 1 0.0003141224 1.064266e-07
HChl N 1 0.0003030704 8.5311774e-08
HChl NT 1 0.0003030704 8.5311774e-08
HChl NL 1 0.0003030704 8.5311774e-08
HChl NR 1 0.0003030704 8.5311774e-08
HChl NZ 1 0.0003030704 8.5311774e-08
HChl NE 1 0.0003030704 8.5311774e-08
HChl C 1 0.0002970532 1.2045944e-07
HChl CH0 1 0.0002970532 1.2045944e-07
HChl CH1 1 0.0003313144 1.2675454e-07
HChl CH2 1 0.0004220022 1.4279371e-07
HChl CH3 1 0.0005082692 1.6103545e-07
HChl CH4 1 0.000704872 3.8439479e-07
HChl CH2r 1 0.0004220022 1.4279371e-07
HChl CR1 1 0.000456509 1.8924656e-07
HChl HC 1 5.6488e-05 8.065602e-09
HChl H 1 0 0
HChl DUM 1 0 0
HChl S 1 0.0006135088 2.3711558e-07
HChl CU1+ 1 0.000125563 4.6944427e-09
HChl CU2+ 1 0.000125563 4.6944427e-09
HChl FE 1 0 0
HChl ZN2+ 1 0.000125563 6.3711698e-09
HChl MG2+ 1 4.96112e-05 3.8282101e-09
HChl CA2+ 1 0.000194638 4.6275572e-08
HChl P 1 0.000745396 3.0891911e-07
HChl AR 1 0.000485981 2.0577121e-07
HChl F 1 0.0002107248 5.7193643e-08
HChl CL 1 0.0005748268 2.5645991e-07
HChl BR 1 0.001021082 5.3062481e-07
HChl CMet 1 0.0005784494 2.885256e-07
HChl OMet 1 0.0002920184 1.0000035e-07
HChl NA+ 1 5.212246e-05 9.50823e-09
HChl CL- 1 0.00072145 6.7803516e-07
HChl CChl 1 0.0003622 0.1745e-06
HChl CLChl 1 0.0006493 0.3266e-06
HChl HChl 1 3.76996e-05 4.2999495e-09
SDmso O 1 0.0048877412 3.9925763e-06
SDmso OM 1 0.0048877412 3.9925763e-06
SDmso OA 1 0.0048877412 5.216175e-06
SDmso OE 1 0.0048877412 5.216175e-06
SDmso OW 1 0.0052577132 7.5252018e-06
SDmso N 1 0.0050727272 6.0322166e-06
SDmso NT 1 0.0050727272 6.0322166e-06
SDmso NL 1 0.0050727272 6.0322166e-06
SDmso NR 1 0.0050727272 6.0322166e-06
SDmso NZ 1 0.0050727272 6.0322166e-06
SDmso NE 1 0.0050727272 6.0322166e-06
SDmso C 1 0.0049720126 8.5174342e-06
SDmso CH0 1 0.0049720126 8.5174342e-06
SDmso CH1 1 0.0055454692 8.9625478e-06
SDmso CH2 1 0.0070633821 1.0096643e-05
SDmso CH3 1 0.0085073006 1.1386479e-05
SDmso CH4 1 0.011797996 2.7179749e-05
SDmso CH2r 1 0.0070633821 1.0096643e-05
SDmso CR1 1 0.0076409495 1.3381228e-05
SDmso HC 1 0.000945484 5.703018e-07
SDmso H 1 0 0
SDmso DUM 1 0 0
SDmso S 1 0.010268778 1.6765946e-05
SDmso CU1+ 1 0.0021016465 3.3193419e-07
SDmso CU2+ 1 0.0021016465 3.3193419e-07
SDmso FE 1 0 0
SDmso ZN2+ 1 0.0021016465 4.5049206e-07
SDmso MG2+ 1 0.0008303816 2.7068471e-07
SDmso CA2+ 1 0.003257809 3.2720486e-06
SDmso P 1 0.012476278 2.1843023e-05
SDmso AR 1 0.0081342455 1.4549651e-05
SDmso F 1 0.0035270664 4.0440425e-06
SDmso CL 1 0.0096213274 1.8133743e-05
SDmso BR 1 0.017090651 3.7519367e-05
SDmso CMet 1 0.0096819617 2.040104e-05
SDmso OMet 1 0.0048877412 7.070815e-06
SDmso NA+ 1 0.00087241453 6.72307e-07
SDmso CL- 1 0.012075475 4.7942444e-05
SDmso CChl 1 0.0052712788 9.3473856e-06
SDmso CLChl 1 0.0093665606 1.720225e-05
SDmso HChl 1 0.0006310078 3.0404041e-07
SDmso SDmso 1 0.010561673 2.149806e-05
CDmso O 1 0.004663258 4.4449982e-06
CDmso OM 1 0.004663258 4.4449982e-06
CDmso OA 1 0.004663258 5.80725e-06
CDmso OE 1 0.004663258 5.80725e-06
CDmso OW 1 0.005016238 8.377926e-06
CDmso N 1 0.004839748 6.715762e-06
CDmso NT 1 0.004839748 6.715762e-06
CDmso NL 1 0.004839748 6.715762e-06
CDmso NR 1 0.004839748 6.715762e-06
CDmso NZ 1 0.004839748 6.715762e-06
CDmso NE 1 0.004839748 6.715762e-06
CDmso C 1 0.004743659 9.482594e-06
CDmso CH0 1 0.004743659 9.482594e-06
CDmso CH1 1 0.005290778 9.978146e-06
CDmso CH2 1 0.0067389765 1.1240753e-05
CDmso CH3 1 0.008116579 1.2676747e-05
CDmso CH4 1 0.01125614 3.0259644e-05
CDmso CH2r 1 0.0067389765 1.1240753e-05
CDmso CR1 1 0.0072900175 1.4897532e-05
CDmso HC 1 0.00090206 6.34926e-07
CDmso H 1 0 0
CDmso DUM 1 0 0
CDmso S 1 0.009797156 1.8665792e-05
CDmso CU1+ 1 0.0020051225 3.6954758e-07
CDmso CU2+ 1 0.0020051225 3.6954758e-07
CDmso FE 1 0 0
CDmso ZN2+ 1 0.0020051225 5.0153992e-07
CDmso MG2+ 1 0.000792244 3.0135756e-07
CDmso CA2+ 1 0.003108185 3.6428234e-06
CDmso P 1 0.01190327 2.4318182e-05
CDmso AR 1 0.0077606575 1.6198356e-05
CDmso F 1 0.003365076 4.5022964e-06
CDmso CL 1 0.009179441 2.0188582e-05
CDmso BR 1 0.016305715 4.1770904e-05
CDmso CMet 1 0.0092372905 2.27128e-05
CDmso OMet 1 0.004663258 7.87205e-06
CDmso NA+ 1 0.00083234645 7.4849e-07
CDmso CL- 1 0.011520875 5.337508e-05
CDmso CChl 1 0.0050291806 1.0406592e-05
CDmso CLChl 1 0.0089363751 1.9151536e-05
CDmso HChl 1 0.000602027 3.3849299e-07
CDmso SDmso 1 0.010076599 2.3934129e-05
CDmso CDmso 1 0.0096138025 2.6646244e-05
ODmso O 1 0.0022663291 7.4645315e-07
ODmso OM 1 0.0022663291 7.4645315e-07
ODmso OA 1 0.0022663291 9.752175e-07
ODmso OE 1 0.0022663291 9.752175e-07
ODmso OW 1 0.0024378763 1.4069138e-06
ODmso N 1 0.0023521027 1.1277849e-06
ODmso NT 1 0.0023521027 1.1277849e-06
ODmso NL 1 0.0023521027 1.1277849e-06
ODmso NR 1 0.0023521027 1.1277849e-06
ODmso NZ 1 0.0023521027 1.1277849e-06
ODmso NE 1 0.0023521027 1.1277849e-06
ODmso C 1 0.0023054038 1.5924218e-06
ODmso CH0 1 0.0023054038 1.5924218e-06
ODmso CH1 1 0.0025713019 1.6756404e-06
ODmso CH2 1 0.003275122 1.8876712e-06
ODmso CH3 1 0.0039446326 2.1288192e-06
ODmso CH4 1 0.0054704496 5.0815333e-06
ODmso CH2r 1 0.003275122 1.8876712e-06
ODmso CR1 1 0.0035429262 2.501758e-06
ODmso HC 1 0.0004383984 1.0662378e-07
ODmso H 1 0 0
ODmso DUM 1 0 0
ODmso S 1 0.0047613878 3.1345658e-06
ODmso CU1+ 1 0.0009744834 6.2058507e-08
ODmso CU2+ 1 0.0009744834 6.2058507e-08
ODmso FE 1 0 0
ODmso ZN2+ 1 0.0009744834 8.4224118e-08
ODmso MG2+ 1 0.00038502816 5.0607287e-08
ODmso CA2+ 1 0.0015105684 6.117431e-07
ODmso P 1 0.0057849528 4.0837775e-06
ODmso AR 1 0.0037716558 2.7202067e-06
ODmso F 1 0.0016354166 7.5607529e-07
ODmso CL 1 0.0044611802 3.3902895e-06
ODmso BR 1 0.0079245276 7.0146311e-06
ODmso CMet 1 0.0044892949 3.814184e-06
ODmso OMet 1 0.0022663291 1.3219615e-06
ODmso NA+ 1 0.00040451783 1.256947e-07
ODmso CL- 1 0.00559911 8.9633324e-06
ODmso CChl 1 0.0024441664 1.7475898e-06
ODmso CLChl 1 0.0043430509 3.2161373e-06
ODmso HChl 1 0.00029258328 5.6843478e-08
ODmso SDmso 1 0.004897196 4.0192831e-06
ODmso CDmso 1 0.0046722786 4.4747313e-06
ODmso ODmso 1 0.0022707131 7.5144626e-07
CCl4 O 1 0.0024394475 2.3738805e-06
CCl4 OM 1 0.0024394475 2.3738805e-06
CCl4 OA 1 0.0024394475 3.1014e-06
CCl4 OE 1 0.0024394475 3.1014e-06
CCl4 OW 1 0.0026240987 4.4742864e-06
CCl4 N 1 0.0025317731 3.5865968e-06
CCl4 NT 1 0.0025317731 3.5865968e-06
CCl4 NL 1 0.0025317731 3.5865968e-06
CCl4 NR 1 0.0025317731 3.5865968e-06
CCl4 NZ 1 0.0025317731 3.5865968e-06
CCl4 NE 1 0.0025317731 3.5865968e-06
CCl4 C 1 0.002481507 5.0642416e-06
CCl4 CH0 1 0.002481507 5.0642416e-06
CCl4 CH1 1 0.0027677163 5.3288944e-06
CCl4 CH2 1 0.0035252992 6.0031978e-06
CCl4 CH3 1 0.0042459518 6.7700998e-06
CCl4 CH4 1 0.0058883216 1.6160362e-05
CCl4 CH2r 1 0.0035252992 6.0031978e-06
CCl4 CR1 1 0.0038135602 7.9561248e-06
CCl4 HC 1 0.0004718864 3.390864e-07
CCl4 H 1 0 0
CCl4 DUM 1 0 0
CCl4 S 1 0.0051250966 9.9685888e-06
CCl4 CU1+ 1 0.0010489214 1.9735931e-07
CCl4 CU2+ 1 0.0010489214 1.9735931e-07
CCl4 FE 1 0 0
CCl4 ZN2+ 1 0.0010489214 2.6785069e-07
CCl4 MG2+ 1 0.00041443936 1.6094198e-07
CCl4 CA2+ 1 0.0016259564 1.9454738e-06
CCl4 P 1 0.0062268488 1.2987285e-05
CCl4 AR 1 0.0040597618 8.6508384e-06
CCl4 F 1 0.0017603414 2.404481e-06
CCl4 CL 1 0.004801957 1.0781845e-05
CCl4 BR 1 0.0085298596 2.2308026e-05
CCl4 CMet 1 0.0048322193 1.212992e-05
CCl4 OMet 1 0.0024394475 4.20412e-06
CCl4 NA+ 1 0.00043541779 3.99736e-07
CCl4 CL- 1 0.00602681 2.8505312e-05
CCl4 CChl 1 0.0026308693 5.5577088e-06
CCl4 CLChl 1 0.0046748042 1.0228004e-05
CCl4 HChl 1 0.00031493288 1.807744e-07
CCl4 SDmso 1 0.0052712788 1.2782179e-05
CCl4 CDmso 1 0.0050291806 1.4230602e-05
CCl4 ODmso 1 0.0024441664 2.3897596e-06
CCl4 CCl4 1 0.0026308693 7.5999462e-06
CLCl4 O 1 0.0041472796 3.0768825e-06
CLCl4 OM 1 0.0041472796 3.0768825e-06
CLCl4 OA 1 0.0041472796 4.01985e-06
CLCl4 OE 1 0.0041472796 4.01985e-06
CLCl4 OW 1 0.0044612032 5.7993036e-06
CLCl4 N 1 0.0043042414 4.6487332e-06
CLCl4 NT 1 0.0043042414 4.6487332e-06
CLCl4 NL 1 0.0043042414 4.6487332e-06
CLCl4 NR 1 0.0043042414 4.6487332e-06
CLCl4 NZ 1 0.0043042414 4.6487332e-06
CLCl4 NE 1 0.0043042414 4.6487332e-06
CLCl4 C 1 0.0042187844 6.5639684e-06
CLCl4 CH0 1 0.0042187844 6.5639684e-06
CLCl4 CH1 1 0.004705366 6.9069956e-06
CLCl4 CH2 1 0.0059933247 7.7809875e-06
CLCl4 CH3 1 0.0072184988 8.7750002e-06
CLCl4 CH4 1 0.010010675 2.0946098e-05
CLCl4 CH2r 1 0.0059933247 7.7809875e-06
CLCl4 CR1 1 0.0064833944 1.0312255e-05
CLCl4 HC 1 0.0008022492 4.395036e-07
CLCl4 H 1 0 0
CLCl4 DUM 1 0 0
CLCl4 S 1 0.0087131239 1.2920691e-05
CLCl4 CU1+ 1 0.0017832604 2.5580539e-07
CLCl4 CU2+ 1 0.0017832604 2.5580539e-07
CLCl4 FE 1 0 0
CLCl4 ZN2+ 1 0.0017832604 3.4717211e-07
CLCl4 MG2+ 1 0.00070458408 2.0860342e-07
CLCl4 CA2+ 1 0.0027642717 2.5216072e-06
CLCl4 P 1 0.010586201 1.6833345e-05
CLCl4 AR 1 0.0069019592 1.1212702e-05
CLCl4 F 1 0.0029927383 3.116545e-06
CLCl4 CL 1 0.0081637576 1.3974785e-05
CLCl4 BR 1 0.014501526 2.8914334e-05
CLCl4 CMet 1 0.0082152062 1.572208e-05
CLCl4 OMet 1 0.0041472796 5.44913e-06
CLCl4 NA+ 1 0.00074024929 5.18114e-07
CLCl4 CL- 1 0.010246117 3.6946888e-05
CLCl4 CChl 1 0.0044727137 7.2035712e-06
CLCl4 CLChl 1 0.0079475863 1.3256929e-05
CLCl4 HChl 1 0.00053541414 2.3430902e-07
CLCl4 SDmso 1 0.0089616468 1.6567499e-05
CLCl4 CDmso 1 0.008550058 1.8444858e-05
CLCl4 ODmso 1 0.0041553021 3.0974642e-06
CLCl4 CCl4 1 0.0044727137 9.8505978e-06
CLCl4 CLCl4 1 0.0076040144 1.2767758e-05
FTFE O 1 0.0016322592 8.611e-07
FTFE OM 1 0.0016322592 8.611e-07
FTFE OA 1 0.0016322592 1.125e-06
FTFE OE 1 0.0016322592 1.125e-06
FTFE OW 1 0.0017558112 1.623e-06
FTFE N 1 0.0016940352 1.301e-06
FTFE NT 1 0.0016940352 1.301e-06
FTFE NL 1 0.0016940352 1.301e-06
FTFE NR 1 0.0016940352 1.301e-06
FTFE NZ 1 0.0016940352 1.301e-06
FTFE NE 1 0.0016940352 1.301e-06
FTFE C 1 0.0016604016 1.837e-06
FTFE CH0 1 0.0016604016 1.837e-06
FTFE CH1 1 0.0018519072 1.933e-06
FTFE CH2 1 0.0023588136 2.1775964e-06
FTFE CH3 1 0.0028410096 2.455782e-06
FTFE CH4 1 0.003939936 5.862e-06
FTFE CH2r 1 0.0023588136 2.1775964e-06
FTFE CR1 1 0.002551692 2.886e-06
FTFE HC 1 0.000315744 1.23e-07
FTFE H 1 0 0
FTFE DUM 1 0 0
FTFE S 1 0.0034292544 3.616e-06
FTFE CU1+ 1 0.000701844 7.159e-08
FTFE CU2+ 1 0.000701844 7.159e-08
FTFE FE 1 0 0
FTFE ZN2+ 1 0.000701844 9.716e-08
FTFE MG2+ 1 0.0002773056 5.838e-08
FTFE CA2+ 1 0.001087944 7.057e-07
FTFE P 1 0.004166448 4.711e-06
FTFE AR 1 0.002716428 3.138e-06
FTFE F 1 0.0011778624 8.722e-07
FTFE CL 1 0.0032130384 3.911e-06
FTFE BR 1 0.005707416 8.092e-06
FTFE CMet 1 0.0032332872 4.4e-06
FTFE OMet 1 0.0016322592 1.525e-06
FTFE NA+ 1 0.00029134248 1.45e-07
FTFE CL- 1 0.0040326 1.034e-05
FTFE CChl 1 0.0017603414 2.016e-06
FTFE CLChl 1 0.0031279591 3.7101e-06
FTFE HChl 1 0.0002107248 6.5574e-08
FTFE SDmso 1 0.0035270664 4.6366e-06
FTFE CDmso 1 0.003365076 5.162e-06
FTFE ODmso 1 0.0016354166 8.6686e-07
FTFE CCl4 1 0.0017603414 2.7568e-06
FTFE CLCl4 1 0.0029927383 3.5732e-06
FTFE FTFE 1 0.0011778624 1e-06
CTFE O 1 0.0023009528 1.5818407e-06
CTFE OM 1 0.0023009528 1.5818407e-06
CTFE OA 1 0.0023009528 2.066625e-06
CTFE OE 1 0.0023009528 2.066625e-06
CTFE OW 1 0.0024751208 2.981451e-06
CTFE N 1 0.0023880368 2.389937e-06
CTFE NT 1 0.0023880368 2.389937e-06
CTFE NL 1 0.0023880368 2.389937e-06
CTFE NR 1 0.0023880368 2.389937e-06
CTFE NZ 1 0.0023880368 2.389937e-06
CTFE NE 1 0.0023880368 2.389937e-06
CTFE C 1 0.0023406244 3.374569e-06
CTFE CH0 1 0.0023406244 3.374569e-06
CTFE CH1 1 0.0026105848 3.550921e-06
CTFE CH2 1 0.0033251574 4.0002446e-06
CTFE CH3 1 0.0040048964 4.5112715e-06
CTFE CH4 1 0.005554024 1.0768494e-05
CTFE CH2r 1 0.0033251574 4.0002446e-06
CTFE CR1 1 0.003597053 5.301582e-06
CTFE HC 1 0.000445096 2.25951e-07
CTFE H 1 0 0
CTFE DUM 1 0 0
CTFE S 1 0.0048341296 6.642592e-06
CTFE CU1+ 1 0.000989371 1.3151083e-07
CTFE CU2+ 1 0.000989371 1.3151083e-07
CTFE FE 1 0 0
CTFE ZN2+ 1 0.000989371 1.7848292e-07
CTFE MG2+ 1 0.0003909104 1.0724406e-07
CTFE CA2+ 1 0.001533646 1.2963709e-06
CTFE P 1 0.005873332 8.654107e-06
CTFE AR 1 0.003829277 5.764506e-06
CTFE F 1 0.0016604016 1.6022314e-06
CTFE CL 1 0.0045293356 7.184507e-06
CTFE BR 1 0.008045594 1.4865004e-05
CTFE CMet 1 0.0045578798 8.0828e-06
CTFE OMet 1 0.0023009528 2.801425e-06
CTFE NA+ 1 0.00041069782 2.66365e-07
CTFE CL- 1 0.00568465 1.899458e-05
CTFE CChl 1 0.002481507 3.703392e-06
CTFE CLChl 1 0.0044094016 6.8154537e-06
CTFE HChl 1 0.0002970532 1.2045944e-07
CTFE SDmso 1 0.0049720126 8.5174342e-06
CTFE CDmso 1 0.004743659 9.482594e-06
CTFE ODmso 1 0.0023054038 1.5924218e-06
CTFE CCl4 1 0.002481507 5.0642416e-06
CTFE CLCl4 1 0.0042187844 6.5639684e-06
CTFE FTFE 1 0.0016604016 1.837e-06
CTFE CTFE 1 0.0023406244 3.374569e-06
CHTFE O 1 0.0040088324 4.3718047e-06
CHTFE OM 1 0.0040088324 4.3718047e-06
CHTFE OA 1 0.0040088324 5.711625e-06
CHTFE OE 1 0.0040088324 5.711625e-06
CHTFE OW 1 0.0043122764 8.239971e-06
CHTFE N 1 0.0041605544 6.605177e-06
CHTFE NT 1 0.0041605544 6.605177e-06
CHTFE NL 1 0.0041605544 6.605177e-06
CHTFE NR 1 0.0041605544 6.605177e-06
CHTFE NZ 1 0.0041605544 6.605177e-06
CHTFE NE 1 0.0041605544 6.605177e-06
CHTFE C 1 0.0040779502 9.326449e-06
CHTFE CH0 1 0.0040779502 9.326449e-06
CHTFE CH1 1 0.0045482884 9.813841e-06
CHTFE CH2 1 0.0057932517 1.1055657e-05
CHTFE CH3 1 0.0069775262 1.2468005e-05
CHTFE CH4 1 0.009676492 2.9761374e-05
CHTFE CH2r 1 0.0057932517 1.1055657e-05
CHTFE CR1 1 0.0062669615 1.4652222e-05
CHTFE HC 1 0.000775468 6.24471e-07
CHTFE H 1 0 0
CHTFE DUM 1 0 0
CHTFE S 1 0.0084222568 1.8358432e-05
CHTFE CU1+ 1 0.0017237305 3.6346243e-07
CHTFE CU2+ 1 0.0017237305 3.6346243e-07
CHTFE FE 1 0 0
CHTFE ZN2+ 1 0.0017237305 4.9328132e-07
CHTFE MG2+ 1 0.0006810632 2.9639526e-07
CHTFE CA2+ 1 0.002671993 3.5828389e-06
CHTFE P 1 0.010232806 2.3917747e-05
CHTFE AR 1 0.0066715535 1.5931626e-05
CHTFE F 1 0.0028928328 4.4281594e-06
CHTFE CL 1 0.0078912298 1.9856147e-05
CHTFE BR 1 0.014017427 4.1083084e-05
CHTFE CMet 1 0.0079409609 2.23388e-05
CHTFE OMet 1 0.0040088324 7.742425e-06
CHTFE NA+ 1 0.00071553781 7.36165e-07
CHTFE CL- 1 0.009904075 5.249618e-05
CHTFE CChl 1 0.0043234027 1.0235232e-05
CHTFE CLChl 1 0.0076822749 1.8836178e-05
CHTFE HChl 1 0.0005175406 3.329192e-07
CHTFE SDmso 1 0.0086624833 2.3540018e-05
CHTFE CDmso 1 0.0082646345 2.6207474e-05
CHTFE ODmso 1 0.0040165871 4.4010482e-06
CHTFE CCl4 1 0.0043234027 1.3996274e-05
CHTFE CLCl4 1 0.0073501723 1.8141136e-05
CHTFE FTFE 1 0.0028928328 5.077e-06
CHTFE CTFE 1 0.0040779502 9.326449e-06
CHTFE CHTFE 1 0.0071048041 2.5775929e-05
OTFE O 1 0.0022619536 1.0565697e-06
OTFE OM 1 0.0022619536 1.0565697e-06
OTFE OA 1 0.0022619536 1.380375e-06
OTFE OE 1 0.0022619536 1.380375e-06
OTFE OW 1 0.0024331696 1.991421e-06
OTFE N 1 0.0023475616 1.596327e-06
OTFE NT 1 0.0023475616 1.596327e-06
OTFE NL 1 0.0023475616 1.596327e-06
OTFE NR 1 0.0023475616 1.596327e-06
OTFE NZ 1 0.0023475616 1.596327e-06
OTFE NE 1 0.0023475616 1.596327e-06
OTFE C 1 0.0023009528 2.253999e-06
OTFE CH0 1 0.0023009528 2.253999e-06
OTFE CH1 1 0.0025663376 2.371791e-06
OTFE CH2 1 0.0032687988 2.6719108e-06
OTFE CH3 1 0.0039370168 3.0132445e-06
OTFE CH4 1 0.005459888 7.192674e-06
OTFE CH2r 1 0.0032687988 2.6719108e-06
OTFE CR1 1 0.003536086 3.541122e-06
OTFE HC 1 0.000437552 1.50921e-07
OTFE H 1 0 0
OTFE DUM 1 0 0
OTFE S 1 0.0047521952 4.436832e-06
OTFE CU1+ 1 0.000972602 8.784093e-08
OTFE CU2+ 1 0.000972602 8.784093e-08
OTFE FE 1 0 0
OTFE ZN2+ 1 0.000972602 1.1921532e-07
OTFE MG2+ 1 0.0003842848 7.163226e-08
OTFE CA2+ 1 0.001507652 8.658939e-07
OTFE P 1 0.005773784 5.780397e-06
OTFE AR 1 0.003764374 3.850326e-06
OTFE F 1 0.0016322592 1.0701894e-06
OTFE CL 1 0.0044525672 4.798797e-06
OTFE BR 1 0.007909228 9.928884e-06
OTFE CMet 1 0.0044806276 5.3988e-06
OTFE OMet 1 0.0022619536 1.871175e-06
OTFE NA+ 1 0.00040373684 1.77915e-07
OTFE CL- 1 0.0055883 1.268718e-05
OTFE CChl 1 0.0024394475 2.473632e-06
OTFE CLChl 1 0.004334666 4.5522927e-06
OTFE HChl 1 0.0002920184 8.0459298e-08
OTFE SDmso 1 0.0048877412 5.6891082e-06
OTFE CDmso 1 0.004663258 6.333774e-06
OTFE ODmso 1 0.0022663291 1.0636372e-06
OTFE CCl4 1 0.0024394475 3.3825936e-06
OTFE CLCl4 1 0.0041472796 4.3843164e-06
OTFE FTFE 1 0.0016322592 1.227e-06
OTFE CTFE 1 0.0023009528 2.253999e-06
OTFE CHTFE 1 0.0040088324 6.229479e-06
OTFE OTFE 1 0.0022619536 1.505529e-06
CUrea O 1 0.0033247294 3.174359e-06
CUrea OM 1 0.0033247294 3.174359e-06
CUrea OA 1 0.0033247294 4.1472e-06
CUrea OE 1 0.0033247294 4.1472e-06
CUrea OW 1 0.003576391 5.9830272e-06
CUrea N 1 0.0034505602 4.7960064e-06
CUrea NT 1 0.0034505602 4.7960064e-06
CUrea NL 1 0.0034505602 4.7960064e-06
CUrea NR 1 0.0034505602 4.7960064e-06
CUrea NZ 1 0.0034505602 4.7960064e-06
CUrea NE 1 0.0034505602 4.7960064e-06
CUrea C 1 0.0033820523 6.7719168e-06
CUrea CH0 1 0.0033820523 6.7719168e-06
CUrea CH1 1 0.0037721278 7.1258112e-06
CUrea CH2 1 0.0048046394 8.0274914e-06
CUrea CH3 1 0.0057868187 9.0529948e-06
CUrea CH4 1 0.0080252088 2.1609677e-05
CUrea CH2r 1 0.0048046394 8.0274914e-06
CUrea CR1 1 0.0051975111 1.063895e-05
CUrea HC 1 0.0006431352 4.534272e-07
CUrea H 1 0 0
CUrea DUM 1 0 0
CUrea S 1 0.0069850075 1.3330022e-05
CUrea CU1+ 1 0.0014295777 2.6390938e-07
CUrea CU2+ 1 0.0014295777 2.6390938e-07
CUrea FE 1 0 0
CUrea ZN2+ 1 0.0014295777 3.5817062e-07
CUrea MG2+ 1 0.00056484048 2.1521203e-07
CUrea CA2+ 1 0.0022160202 2.6014925e-06
CUrea P 1 0.0084865884 1.736663e-05
CUrea AR 1 0.0055330599 1.1567923e-05
CUrea F 1 0.0023991739 3.2152781e-06
CUrea CL 1 0.0065445997 1.441751e-05
CUrea BR 1 0.011625368 2.9830349e-05
CUrea CMet 1 0.0065858443 1.622016e-05
CUrea OMet 1 0.0033247294 5.62176e-06
CUrea NA+ 1 0.00059343203 5.34528e-07
CUrea CL- 1 0.008213955 3.8117376e-05
CUrea CChl 1 0.0035856186 7.4317824e-06
CUrea CLChl 1 0.0063713027 1.3676913e-05
CUrea HChl 1 0.00042922284 2.4173199e-07
CUrea SDmso 1 0.0071842396 1.7092362e-05
CUrea CDmso 1 0.0068542833 1.9029197e-05
CUrea ODmso 1 0.0033311607 3.1955927e-06
CUrea CCl4 1 0.0035856186 1.0162668e-05
CUrea CLCl4 1 0.0060958731 1.3172244e-05
CUrea FTFE 1 0.0023991739 3.6864e-06
CUrea CTFE 1 0.0033820523 6.7719168e-06
CUrea CHTFE 1 0.0058923767 1.8715853e-05
CUrea OTFE 1 0.0033247294 4.5232128e-06
CUrea CUrea 1 0.0048868488 1.3589545e-05
OUrea O 1 0.0023123672 1.085761e-06
OUrea OM 1 0.0023123672 1.085761e-06
OUrea OA 1 0.0023123672 1.4185125e-06
OUrea OE 1 0.0023123672 1.4185125e-06
OUrea OW 1 0.0024873992 2.0464407e-06
OUrea N 1 0.0023998832 1.6404309e-06
OUrea NT 1 0.0023998832 1.6404309e-06
OUrea NL 1 0.0023998832 1.6404309e-06
OUrea NR 1 0.0023998832 1.6404309e-06
OUrea NZ 1 0.0023998832 1.6404309e-06
OUrea NE 1 0.0023998832 1.6404309e-06
OUrea C 1 0.0023522356 2.3162733e-06
OUrea CH0 1 0.0023522356 2.3162733e-06
OUrea CH1 1 0.0026235352 2.4373197e-06
OUrea CH2 1 0.0033416526 2.7457313e-06
OUrea CH3 1 0.0040247636 3.0964955e-06
OUrea CH4 1 0.005581576 7.3913958e-06
OUrea CH2r 1 0.0033416526 2.7457313e-06
OUrea CR1 1 0.003614897 3.6389574e-06
OUrea HC 1 0.000447304 1.550907e-07
OUrea H 1 0 0
OUrea DUM 1 0 0
OUrea S 1 0.0048581104 4.5594144e-06
OUrea CU1+ 1 0.000994279 9.0267831e-08
OUrea CU2+ 1 0.000994279 9.0267831e-08
OUrea FE 1 0 0
OUrea ZN2+ 1 0.000994279 1.2250904e-07
OUrea MG2+ 1 0.0003928496 7.3611342e-08
OUrea CA2+ 1 0.001541254 8.8981713e-07
OUrea P 1 0.005902468 5.9400999e-06
OUrea AR 1 0.003848273 3.9567042e-06
OUrea F 1 0.0016686384 1.099757e-06
OUrea CL 1 0.0045518044 4.9313799e-06
OUrea BR 1 0.008085506 1.0203203e-05
OUrea CMet 1 0.0045804902 5.54796e-06
OUrea OMet 1 0.0023123672 1.9228725e-06
OUrea NA+ 1 0.00041273518 1.828305e-07
OUrea CL- 1 0.00571285 1.3037706e-05
OUrea CChl 1 0.002493817 2.5419744e-06
OUrea CLChl 1 0.0044312754 4.6780651e-06
OUrea HChl 1 0.0002985268 8.2682257e-08
OUrea SDmso 1 0.0049966774 5.8462889e-06
OUrea CDmso 1 0.004767191 6.5087658e-06
OUrea ODmso 1 0.0023168402 1.0930238e-06
OUrea CCl4 1 0.002493817 3.4760491e-06
OUrea CLCl4 1 0.0042397126 4.5054479e-06
OUrea FTFE 1 0.0016686384 1.2609e-06
OUrea CTFE 1 0.0023522356 2.3162733e-06
OUrea CHTFE 1 0.0040981798 6.4015893e-06
OUrea OTFE 1 0.0023123672 1.5471243e-06
OUrea CUrea 1 0.0033988297 4.6481818e-06
OUrea OUrea 1 0.0023639044 1.5898688e-06
NUrea O 1 0.0027538667 1.7116085e-06
NUrea OM 1 0.0027538667 1.7116085e-06
NUrea OA 1 0.0027538667 2.2361625e-06
NUrea OE 1 0.0027538667 2.2361625e-06
NUrea OW 1 0.0029623175 3.2260371e-06
NUrea N 1 0.0028580921 2.5859977e-06
NUrea NT 1 0.0028580921 2.5859977e-06
NUrea NL 1 0.0028580921 2.5859977e-06
NUrea NR 1 0.0028580921 2.5859977e-06
NUrea NZ 1 0.0028580921 2.5859977e-06
NUrea NE 1 0.0028580921 2.5859977e-06
NUrea C 1 0.0028013471 3.6514049e-06
NUrea CH0 1 0.0028013471 3.6514049e-06
NUrea CH1 1 0.0031244459 3.8422241e-06
NUrea CH2 1 0.0039796732 4.3284084e-06
NUrea CH3 1 0.0047932103 4.8813579e-06
NUrea CH4 1 0.0066472644 1.1651897e-05
NUrea CH2r 1 0.0039796732 4.3284084e-06
NUrea CR1 1 0.0043050881 5.7365022e-06
NUrea HC 1 0.0005327076 2.444871e-07
NUrea H 1 0 0
NUrea DUM 1 0 0
NUrea S 1 0.0057856678 7.1875232e-06
NUrea CU1+ 1 0.0011841163 1.4229944e-07
NUrea CU2+ 1 0.0011841163 1.4229944e-07
NUrea FE 1 0 0
NUrea ZN2+ 1 0.0011841163 1.9312493e-07
NUrea MG2+ 1 0.00046785624 1.1604193e-07
NUrea CA2+ 1 0.0018355251 1.4027199e-06
NUrea P 1 0.0070294242 9.3640547e-06
NUrea AR 1 0.0045830224 6.2374026e-06
NUrea F 1 0.001987231 1.7336719e-06
NUrea CL 1 0.0054208789 7.7738947e-06
NUrea BR 1 0.0096292689 1.6084468e-05
NUrea CMet 1 0.0054550416 8.74588e-06
NUrea OMet 1 0.0027538667 3.0312425e-06
NUrea NA+ 1 0.00049153857 2.882165e-07
NUrea CL- 1 0.0068036025 2.0552818e-05
NUrea CChl 1 0.0029699607 4.0072032e-06
NUrea CLChl 1 0.0052773373 7.3745658e-06
NUrea HChl 1 0.00035552442 1.3034144e-07
NUrea SDmso 1 0.0059506913 9.2161698e-06
NUrea CDmso 1 0.0056773891 1.0260507e-05
NUrea ODmso 1 0.0027591938 1.7230576e-06
NUrea CCl4 1 0.0029699607 5.4796914e-06
NUrea CLCl4 1 0.0050491995 7.1024496e-06
NUrea FTFE 1 0.001987231 1.9877e-06
NUrea CTFE 1 0.0028013471 3.6514049e-06
NUrea CHTFE 1 0.0048806439 1.0091553e-05
NUrea OTFE 1 0.0027538667 2.4389079e-06
NUrea CUrea 1 0.0040477671 7.3274573e-06
NUrea OUrea 1 0.0028152439 2.5062909e-06
NUrea NUrea 1 0.0033527574 3.9509513e-06
SI O 1 0.005773784 4.0566421e-06
SI OM 1 0.005773784 4.0566421e-06
SI OA 1 0.005773784 5.299875e-06
SI OE 1 0.005773784 5.299875e-06
SI OW 1 0.006210824 7.645953e-06
SI N 1 0.005992304 6.129011e-06
SI NT 1 0.005992304 6.129011e-06
SI NL 1 0.005992304 6.129011e-06
SI NR 1 0.005992304 6.129011e-06
SI NZ 1 0.005992304 6.129011e-06
SI NE 1 0.005992304 6.129011e-06
SI C 1 0.005873332 8.654107e-06
SI CH0 1 0.005873332 8.654107e-06
SI CH1 1 0.006550744 9.106363e-06
SI CH2 1 0.008343822 1.0258657e-05
SI CH3 1 0.010049492 1.1569189e-05
SI CH4 1 0.01393672 2.7615882e-05
SI CH2r 1 0.008343822 1.0258657e-05
SI CR1 1 0.00902609 1.3595946e-05
SI HC 1 0.00111688 5.79453e-07
SI H 1 0 0
SI DUM 1 0 0
SI S 1 0.012130288 1.7034976e-05
SI CU1+ 1 0.00248263 3.3726049e-07
SI CU2+ 1 0.00248263 3.3726049e-07
SI FE 1 0 0
SI ZN2+ 1 0.00248263 4.5772076e-07
SI MG2+ 1 0.000980912 2.7502818e-07
SI CA2+ 1 0.00384838 3.3245527e-06
SI P 1 0.01473796 2.2193521e-05
SI AR 1 0.00960881 1.4783118e-05
SI F 1 0.004166448 4.1089342e-06
SI CL 1 0.011365468 1.8424721e-05
SI BR 1 0.02018882 3.8121412e-05
SI CMet 1 0.011437094 2.07284e-05
SI OMet 1 0.005773784 7.184275e-06
SI NA+ 1 0.0010305646 6.83095e-07
SI CL- 1 0.0142645 4.871174e-05
SI CChl 1 0.0062268488 9.497376e-06
SI CLChl 1 0.011064517 1.7478281e-05
SI HChl 1 0.000745396 3.0891911e-07
SI SDmso 1 0.012476278 2.1843023e-05
SI CDmso 1 0.01190327 2.4318182e-05
SI ODmso 1 0.0057849528 4.0837775e-06
SI CCl4 1 0.0062268488 1.2987285e-05
SI CLCl4 1 0.010586201 1.6833345e-05
SI FTFE 1 0.004166448 4.711e-06
SI CTFE 1 0.005873332 8.654107e-06
SI CHTFE 1 0.010232806 2.3917747e-05
SI OTFE 1 0.005773784 5.780397e-06
SI CUrea 1 0.0084865884 1.736663e-05
SI OUrea 1 0.005902468 5.9400999e-06
SI NUrea 1 0.0070294242 9.3640547e-06
SI SI 1 0.01473796 2.2193521e-05
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