REMARK  Name = BDB042512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.257  -0.183   0.617  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        2.882   1.170   0.139  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.356   1.331   0.007  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.753   0.322  -0.873  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.475   0.448  -1.500  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.923  -0.430  -2.239  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.497  -0.939  -1.012  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.314  -1.269   0.249  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        7.435  -0.813   0.256  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        6.575  -1.435  -0.648  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        5.198  -1.238  -0.543  0.00  0.00    +0.146 A 
ATOM     12  F   LIG    1        4.419  -1.826  -1.464  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        4.634  -0.428   0.460  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        5.523   0.195   1.352  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        6.906   0.005   1.258  0.00  0.00    +0.021 A 
BRANCH   9  17
ATOM     16  N   LIG    1        9.998  -1.160   0.073  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        8.851  -1.007   0.155  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -1.250   1.732  -1.241  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.674   1.700  -1.805  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.625   0.866  -0.977  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.467  -0.500  -1.031  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -2.721  -0.894  -1.609  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.234  -1.422  -0.348  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -4.011  -2.623  -0.436  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.324  -0.867   0.491  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -5.495   0.526   0.538  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -6.520   1.071   1.323  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -7.366   0.233   2.054  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -7.190  -1.149   2.005  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.172  -1.694   1.224  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -6.043  -3.028   1.209  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.604   1.400  -0.231  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5