MM
PB
MS
1
 BOND    =      949.0773  ANGLE   =     2602.8680  DIHED      =     3023.9297
 VDWAALS =    -2488.4174  EEL     =   -21514.4190  HBOND      =        0.0000
 1-4 VDW =     1170.6562  1-4 EEL =    11180.3517  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15155.606
2
 BOND    =      947.6503  ANGLE   =     2583.3554  DIHED      =     3017.0769
 VDWAALS =    -2485.4350  EEL     =   -21482.6017  HBOND      =        0.0000
 1-4 VDW =     1166.3890  1-4 EEL =    11152.9703  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15461.225
3
 BOND    =      912.8148  ANGLE   =     2650.2761  DIHED      =     3070.2786
 VDWAALS =    -2494.0494  EEL     =   -21542.0282  HBOND      =        0.0000
 1-4 VDW =     1150.0689  1-4 EEL =    11077.8910  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15283.826
4
 BOND    =      910.8243  ANGLE   =     2572.3239  DIHED      =     2999.5210
 VDWAALS =    -2544.7570  EEL     =   -21518.8285  HBOND      =        0.0000
 1-4 VDW =     1161.6917  1-4 EEL =    11098.6117  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15189.946
5
 BOND    =      976.6972  ANGLE   =     2591.3684  DIHED      =     3011.2755
 VDWAALS =    -2512.0705  EEL     =   -21603.4701  HBOND      =        0.0000
 1-4 VDW =     1188.3227  1-4 EEL =    11106.0213  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15352.000
6
 BOND    =      915.6523  ANGLE   =     2672.0075  DIHED      =     3018.2177
 VDWAALS =    -2526.7731  EEL     =   -21588.2795  HBOND      =        0.0000
 1-4 VDW =     1181.1960  1-4 EEL =    11152.2232  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15478.017
7
 BOND    =      932.2430  ANGLE   =     2612.1592  DIHED      =     2986.4809
 VDWAALS =    -2527.0070  EEL     =   -21679.7233  HBOND      =        0.0000
 1-4 VDW =     1174.1633  1-4 EEL =    11198.4216  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  14872.898
8
 BOND    =      968.3125  ANGLE   =     2535.8113  DIHED      =     2965.8237
 VDWAALS =    -2491.3603  EEL     =   -21479.3026  HBOND      =        0.0000
 1-4 VDW =     1177.7206  1-4 EEL =    11084.9349  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15496.921
9
 BOND    =      925.9625  ANGLE   =     2592.8906  DIHED      =     3003.3495
 VDWAALS =    -2542.0684  EEL     =   -21536.7213  HBOND      =        0.0000
 1-4 VDW =     1168.4600  1-4 EEL =    11072.4234  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
10
 BOND    =      937.0643  ANGLE   =     2601.6600  DIHED      =     3020.3896
 VDWAALS =    -2521.5161  EEL     =   -21602.9513  HBOND      =        0.0000
 1-4 VDW =     1162.2435  1-4 EEL =    11107.6816  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
11
 BOND    =      949.3899  ANGLE   =     2587.1321  DIHED      =     2995.6860
 VDWAALS =    -2532.5251  EEL     =   -21551.0215  HBOND      =        0.0000
 1-4 VDW =     1151.5983  1-4 EEL =    11147.0964  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15285.804
12
 BOND    =      970.6048  ANGLE   =     2620.1980  DIHED      =     3023.9065
 VDWAALS =    -2554.1460  EEL     =   -21574.7770  HBOND      =        0.0000
 1-4 VDW =     1185.8564  1-4 EEL =    11191.1014  RESTRAINT  =        0.0000
corrected reaction field energy:           0.0000     kt
surface area =  15102.511