📄 mm2.prm
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torsion I C C= O= 0.000 0.0 1 0.000 180.0 2 -0.017 0.0 3 torsion S C C= C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion S C C= HC 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion S C C= O= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion S+ C C= C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion S+ C C= HC 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion S+ C C= O= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion D C C= C 0.000 0.0 1 0.000 180.0 2 0.130 0.0 3 torsion D C C= C= 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion D C C= O= -0.167 0.0 1 0.000 180.0 2 -0.100 0.0 3 torsion C C Csp Csp 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 torsion HC C Csp Csp 0.000 0.0 1 0.001 180.0 2 0.000 0.0 3 torsion C C O C 0.400 0.0 1 0.520 180.0 2 0.467 0.0 3 torsion C C O Csp2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 torsion C C O C= -2.030 0.0 1 1.210 180.0 2 -0.670 0.0 3 torsion C C O O 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 torsion C C O SI 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 torsion C C O LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C O HO 0.800 0.0 1 0.000 180.0 2 0.090 0.0 3 torsion C C O P -0.200 0.0 1 4.600 180.0 2 0.450 0.0 3 torsion Csp2 C O C 0.000 0.0 1 0.000 180.0 2 0.403 0.0 3 torsion Csp2 C O LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion Csp2 C O HO 0.000 0.0 1 0.000 180.0 2 0.090 0.0 3 torsion C= C O C 0.000 0.0 1 0.000 180.0 2 0.403 0.0 3 torsion C= C O LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C= C O HO 0.000 0.0 1 0.000 180.0 2 0.090 0.0 3 torsion HC C O C 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion HC C O Csp2 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion HC C O C= 0.000 0.0 1 0.000 180.0 2 -0.132 0.0 3 torsion HC C O O 0.000 0.0 1 0.000 180.0 2 0.465 0.0 3 torsion HC C O SI 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 torsion HC C O LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C O HO 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3 torsion HC C O P 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion O C O C -0.170 0.0 1 -1.200 180.0 2 0.000 0.0 3 torsion O C O O 0.000 0.0 1 0.000 180.0 2 0.403 0.0 3 torsion O C O LP 0.000 0.0 1 0.500 180.0 2 -0.200 0.0 3 torsion O C O HO 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion CL C O C 0.500 0.0 1 -0.420 180.0 2 0.000 0.0 3 torsion CL C O LP 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3 torsion C++ C O LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C++ C O HO 0.000 0.0 1 0.000 180.0 2 0.090 0.0 3 torsion C C N C -0.200 0.0 1 0.730 180.0 2 0.800 0.0 3 torsion C C N N -0.200 0.0 1 0.730 180.0 2 0.800 0.0 3 torsion C C N LP 0.200 0.0 1 -0.220 180.0 2 0.100 0.0 3 torsion C C N HN 0.000 0.0 1 0.120 180.0 2 0.100 0.0 3 torsion Csp2 C N C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion Csp2 C N N 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion Csp2 C N LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion Csp2 C N HN 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C= C N C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C= C N LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C= C N HN 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C N C 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 torsion HC C N Csp2 0.000 0.0 1 0.000 180.0 2 0.450 0.0 3 torsion HC C N N 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 torsion HC C N LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C N HN 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 torsion N C N C 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 torsion N C N N 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 torsion N C N LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion N C N HN 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion N+ C N C 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 torsion N+ C N LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C Nsp2 C 0.000 0.0 1 0.000 180.0 2 0.910 0.0 3 torsion C C Nsp2 Csp2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C Nsp2 C= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C Nsp2 HN2 0.000 0.0 1 0.000 180.0 2 0.910 0.0 3 torsion C= C Nsp2 C 0.000 0.0 1 0.000 180.0 2 0.457 0.0 3 torsion C= C Nsp2 C= -0.200 0.0 1 -1.500 180.0 2 0.200 0.0 3 torsion C= C Nsp2 HN2 0.000 0.0 1 0.000 180.0 2 0.001 0.0 3 torsion HC C Nsp2 C 0.000 0.0 1 0.000 180.0 2 -0.200 0.0 3 torsion HC C Nsp2 Csp2 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C Nsp2 Csp2 0.000 0.0 1 0.000 180.0 2 0.650 0.0 3 torsion HC C Nsp2 C= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C Nsp2 SO2 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 torsion HC C Nsp2 HN2 0.000 0.0 1 0.000 180.0 2 0.160 0.0 3 torsion S C Nsp2 C 1.200 0.0 1 0.300 180.0 2 1.634 0.0 3 torsion S C Nsp2 C= -2.700 0.0 1 -3.400 180.0 2 -1.200 0.0 3 torsion D C Nsp2 C= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion D C Nsp2 HN2 0.000 0.0 1 0.000 180.0 2 0.160 0.0 3 torsion C C S C -0.620 0.0 1 0.300 180.0 2 0.250 0.0 3 torsion C C S HC 0.000 0.0 1 -0.350 180.0 2 0.367 0.0 3 torsion C C S 15 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion Csp2 C S C 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion Csp2 C S HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion Csp2 C S 15 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion C= C S C 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion C= C S HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion HC C S C 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 torsion HC C S HC 0.000 0.0 1 0.000 180.0 2 0.320 0.0 3 torsion HC C S 15 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion Nsp2 C S C 0.734 0.0 1 0.153 180.0 2 0.601 0.0 3 torsion S C S C 0.000 0.0 1 -0.900 180.0 2 0.300 0.0 3 torsion S C S 15 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion >SN C S C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C S+ C 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion C C S+ HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion Csp2 C S+ C 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion Csp2 C S+ HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion C= C S+ C 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion C= C S+ HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion HC C S+ C 0.000 0.0 1 0.000 180.0 2 0.483 0.0 3 torsion HC C S+ HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion C C >SN C 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion C C >SN O= -0.235 0.0 1 -0.150 180.0 2 0.175 0.0 3 torsion HC C >SN C 0.000 0.0 1 0.000 180.0 2 0.550 0.0 3 torsion HC C >SN O= 0.000 0.0 1 0.000 180.0 2 0.175 0.0 3 torsion S C >SN C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion S C >SN O= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion >SN C >SN C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion >SN C >SN O= 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C SO2 C 0.000 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion C C SO2 O= -0.235 0.0 1 -0.150 180.0 2 0.175 0.0 3 torsion HC C SO2 C 0.000 0.0 1 0.000 180.0 2 0.550 0.0 3 torsion HC C SO2 O= 0.000 0.0 1 0.000 180.0 2 0.175 0.0 3 torsion HC C SO2 Nsp2 0.000 0.0 1 0.000 180.0 2 0.125 0.0 3 torsion C C SI C 0.000 0.0 1 0.300 180.0 2 0.167 0.0 3 torsion C C SI Csp2 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 torsion C C SI HC 0.000 0.0 1 0.000 180.0 2 0.272 0.0 3 torsion C C SI O 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 torsion C C SI 19 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 torsion Csp2 C SI C 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 torsion Csp2 C SI Csp2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 torsion Csp2 C SI HC 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 torsion HC C SI C 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3 torsion HC C SI Csp2 0.000 0.0 1 0.000 180.0 2 0.117 0.0 3 torsion HC C SI HC 0.000 0.0 1 0.000 180.0 2 0.176 0.0 3 torsion HC C SI O 0.000 0.0 1 0.000 180.0 2 0.210 0.0 3 torsion HC C SI 19 0.000 0.0 1 0.000 180.0 2 0.270 0.0 3 torsion SI C SI C 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 torsion SI C SI HC 0.000 0.0 1 0.000 180.0 2 0.167 0.0 3 torsion C C CR3R C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C CR3R HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion C C CR3R 22 0.300 0.0 1 0.000 180.0 2 0.450 0.0 3 torsion C C CR3R OR 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion Csp2 C CR3R HC 0.000 0.0 1 0.000 180.0 2 0.267 0.0 3 torsion Csp2 C CR3R 22 0.300 0.0 1 0.000 180.0 2 0.450 0.0 3 torsion HC C CR3R C 0.000 0.0 1 0.000 180.0 2 0.690 0.0 3 torsion HC C CR3R HC 0.000 0.0 1 0.000 180.0 2 0.690 0.0 3 torsion HC C CR3R 22 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 torsion HC C CR3R OR 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion CR3R C CR3R C 0.200 0.0 1 0.270 180.0 2 0.093 0.0 3 torsion CR3R C CR3R HC 0.000 0.0 1 0.000 180.0 2 0.120 0.0 3 torsion CR3R C CR3R 22 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3 torsion NPYD C CR3R HC 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion NPYD C CR3R 22 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion N2OX C CR3R HC 0.000 0.0 1 0.000 180.0 2 0.530 0.0 3 torsion N2OX C CR3R 22 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C P C -0.150 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion C C P Csp2 -0.050 0.0 1 -0.100 180.0 2 0.300 0.0 3 torsion C C P HC -0.530 0.0 1 -0.400 180.0 2 0.600 0.0 3 torsion HC C P C 0.050 0.0 1 0.000 180.0 2 0.420 0.0 3 torsion HC C P Csp2 0.050 0.0 1 0.000 180.0 2 0.200 0.0 3 torsion HC C P HC 0.000 0.0 1 0.000 180.0 2 0.428 0.0 3 torsion C C C. C 0.400 0.0 1 0.030 180.0 2 0.500 0.0 3 torsion C C C. HC 0.000 0.0 1 0.200 180.0 2 0.200 0.0 3 torsion HC C C. C 0.000 0.0 1 0.000 180.0 2 0.340 0.0 3 torsion HC C C. HC 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 torsion C C GE C 0.000 0.0 1 0.000 180.0 2 0.152 0.0 3 torsion C C GE HC 0.000 0.0 1 0.000 180.0 2 0.152 0.0 3 torsion HC C GE C 0.000 0.0 1 0.000 180.0 2 0.127 0.0 3 torsion HC C GE HC 0.000 0.0 1 0.000 180.0 2 0.132 0.0 3 torsion C C SN C 0.000 0.0 1 -0.050 180.0 2 0.160 0.0 3 torsion C C SN HC 0.000 0.0 1 0.000 180.0 2 0.070 0.0 3 torsion HC C SN C 0.000 0.0 1 0.000 180.0 2 0.089 0.0 3 torsion HC C SN HC 0.000 0.0 1 0.000 180.0 2 0.071 0.0 3 torsion C C PB C 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 torsion C C PB HC 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 torsion HC C PB C 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 torsion HC C PB HC 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 torsion HC C PB 33 0.000 0.0 1 0.000 180.0 2 0.021 0.0 3 torsion C C SE C -0.620 0.0 1 0.300 180.0 2 0.350 0.0 3 torsion C C SE HC 0.000 0.0 1 -0.200 180.0 2 0.300 0.0 3 torsion HC C SE C 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3 torsion HC C SE HC 0.000 0.0 1 0.000 180.0 2 0.270 0.0 3 torsion C C TE C -0.440 0.0 1 -0.330 180.0 2 0.600 0.0 3 torsion C C TE HC 0.000 0.0 1 -0.200 180.0 2 0.300 0.0 3 torsion HC C TE C 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3 torsion HC C TE HC 0.000 0.0 1 0.000 180.0 2 0.270 0.0 3 torsion C C NPYD LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C NPYD 37 0.340 0.0 1 0.000 180.0 2 -0.900 0.0 3 torsion C C NPYD N2OX 0.340 0.0 1 0.000 180.0 2 -0.600 0.0 3 torsion Csp2 C NPYD LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion Csp2 C NPYD N2OX -0.440 0.0 1 0.000 180.0 2 0.100 0.0 3 torsion HC C NPYD Csp2 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 torsion HC C NPYD LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C NPYD 37 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 torsion HC C NPYD N2OX 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 torsion CR3R C NPYD LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion CR3R C NPYD N2OX 0.000 0.0 1 0.000 180.0 2 0.100 0.0 3 torsion HC C CE3R CR3R 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3 torsion C C N+ C -0.200 0.0 1 0.730 180.0 2 0.800 0.0 3 torsion C C N+ HN+ 0.000 0.0 1 0.120 180.0 2 0.100 0.0 3 torsion Csp2 C N+ C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion Csp2 C N+ HN+ 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C N+ C 0.000 0.0 1 0.000 180.0 2 0.520 0.0 3 torsion HC C N+ HN+ 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3 torsion N C N+ C 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 torsion C C Oar Csp2 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3 torsion C C Oar LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion HC C Oar Csp2 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3 torsion HC C Oar LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C C N2OX O= 0.000 0.0 1 0.000 180.0 2 -0.600 0.0 3 torsion C C N2OX NPYD 0.000 0.0 1 0.000 180.0 2 -1.200 0.0 3 torsion Csp2 C N2OX O= 0.000 0.0 1 0.000 180.0 2 -0.600 0.0 3 torsion Csp2 C N2OX NPYD -0.440 0.0 1 0.000 180.0 2 0.100 0.0 3 torsion HC C N2OX O= 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 torsion HC C N2OX NPYD 0.000 0.0 1 0.000 180.0 2 -0.316 0.0 3 torsion CR3R C N2OX O= 0.000 0.0 1 0.000 180.0 2 -1.750 0.0 3 torsion CR3R C N2OX NPYD 0.000 0.0 1 0.000 180.0 2 0.700 0.0 3 torsion C C NO3 O= 0.000 0.0 1 0.410 180.0 2 0.000 0.0 3 torsion HC C NO3 O= 0.000 0.0 1 0.000 180.0 2 0.060 0.0 3 torsion C C Car 50 -0.440 0.0 1 0.240 180.0 2 0.060 0.0 3 torsion HC C Car 50 0.000 0.0 1 0.000 180.0 2 -0.240 0.0 3 torsion Car C Car 50 0.100 0.0 1 0.000 180.0 2 0.500 0.0 3 torsion C C OK C++ -1.340 0.0 1 1.020 180.0 2 -0.900 0.0 3 torsion HC C OK C++ 0.000 0.0 1 0.000 180.0 2 -0.620 0.0 3 torsion C C C++ C 1.200 0.0 1 0.200 180.0 2 0.150 0.0 3 torsion C C C++ HC 0.730 0.0 1 0.270 180.0 2 0.680 0.0 3 torsion C C C++ OK -0.250 0.0 1 0.200 180.0 2 0.000 0.0 3 torsion HC C C++ C 0.000 0.0 1 0.000 180.0 2 0.130 0.0 3 torsion HC C C++ HC 0.180 0.0 1 0.000 180.0 2 0.275 0.0 3 torsion HC C C++ OK 0.000 0.0 1 0.000 180.0 2 -0.270 0.0 3 torsion O C C++ C 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion O C C++ HC 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion O C C++ OK -3.870 0.0 1 5.700 180.0 2 0.000 0.0 3 torsion HC C N=C C= 0.000 0.0 1 0.000 180.0 2 -1.000 0.0 3 torsion HC C N=C LP 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 C -0.100 0.0 1 10.000 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 Csp2 -0.270 0.0 1 10.000 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 C= 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 HC 0.000 0.0 1 12.500 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 O -1.200 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 CL 0.320 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 I -1.320 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 SI 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion C Csp2 Csp2 NPYD 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 Csp2 -0.930 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 C= 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 Csp 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 HC 0.000 0.0 1 9.000 180.0 2 -1.060 0.0 3 torsion Csp2 Csp2 Csp2 O 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 N 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 Nsp2 0.000 0.0 1 12.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 F 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 CL 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 BR 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 I 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 SI 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 CR3R -0.270 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 P 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 NPYD 1.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 NPYL 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 Oar 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 Csp2 Sthi 0.000 0.0 1 15.000 180.0 2 2.600 0.0 3 torsion Csp2 Csp2 Csp2 NO3 0.000 0.0 1 8.000 180.0 2 0.000 0.0 3 torsion C= Csp2 Csp2 C= 0.000 0.0 1 8.700 180.0 2 0.000 0.0 3 torsion C= Csp2 Csp2 HC 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion C= Csp2 Csp2 I -0.500 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion Csp Csp2 Csp2 HC 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 HC 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 O 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 N 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 Nsp2 0.000 0.0 1 12.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 F 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 CL 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 BR 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 I -1.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 SI 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 CR3R 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 P 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 NPYD 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 NPYL 0.000 0.0 1 15.000 180.0 2 -1.060 0.0 3 torsion HC Csp2 Csp2 Oar 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 Sthi 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 NO3 0.000 0.0 1 8.500 180.0 2 0.000 0.0 3 torsion HC Csp2 Csp2 N=C 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion O Csp2 Csp2 O -2.000 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion O Csp2 Csp2 CL -0.500 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion O Csp2 Csp2 BR 0.000 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion O Csp2 Csp2 I 0.000 0.0 1 5.250 180.0 2 0.000 0.0 3 torsion F Csp2 Csp2 F -2.060 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion CL Csp2 Csp2 CL -1.600 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion BR Csp2 Csp2 BR -0.800 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion I Csp2 Csp2 I -3.840 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion I Csp2 Csp2 Oar -1.000 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion SI Csp2 Csp2 SI 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion NPYD Csp2 Csp2 NPYD 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3 torsion NPYD Csp2 Csp2 NPYL 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion NPYL Csp2 Csp2 NPYL 0.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Oar Csp2 Csp2 Oar -2.000 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Sthi Csp2 Csp2 Sthi 3.000 0.0 1 15.000 180.0 2 0.500 0.0 3 torsion C Csp2 C= C 2.600 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion C Csp2 C= Csp2 0.000 0.0 1 11.100 180.0 2 0.000 0.0 3 torsion C Csp2 C= HC 3.300 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion C Csp2 C= O= 2.750 0.0 1 15.000 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= C -2.300 0.0 1 11.100 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= Csp2 0.500 0.0 1 11.100 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= C= -0.900 0.0 1 15.500 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= HC 0.500 0.0 1 11.100 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= O 0.000 0.0 1 16.250 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= O= 1.530 0.0 1 6.500 180.0 2 0.830 0.0 3 torsion Csp2 Csp2 C= Nsp2 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3 torsion Csp2 Csp2 C= N=C 1.550 0.0 1 0.510 180.0 2 1.060 0.0 3 torsion HC Csp2 C= C 0.000 0.0 1 11.100 180.0 2 0.000 0.0 3 torsion HC Csp2 C= Csp2 0.400 0.0 1 11.100 180.0 2 0.000 0.0 3 torsion HC Csp2 C= C= 0.000 0.0 1 9.800 180.0 2 0.000 0.0 3 torsion HC Csp2 C= HC 2.800 0.0 1 13.000 180.0 2 0.000 0.0 3 torsio⌨️ 快捷键说明
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