REMARK  Name = BDB004034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.254   0.943  -0.250  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.068   0.728  -0.340  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.833   1.656  -0.942  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.283   2.803  -1.476  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.075   2.942  -1.347  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.854   2.034  -0.741  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.963  -0.063   0.401  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.310  -0.769   0.708  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -5.004  -0.773   1.430  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -4.665   0.384   0.726  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.331   0.635   0.378  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.309  -0.256   0.722  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -2.670  -1.417   1.429  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.999  -1.677   1.782  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -7.355  -0.259   1.506  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -6.428  -0.998   1.778  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -6.625  -2.145   2.452  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.592  -2.157   2.610  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        3.231   1.477  -1.069  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        3.720   2.318  -0.769  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.996   0.322  -0.766  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        5.335   0.448  -0.335  0.00  0.00    +0.065 A 
ATOM     23 CL   LIG    1        6.035   2.014  -0.097  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.125  -0.672  -0.077  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        5.585  -1.935  -0.268  0.00  0.00    +0.125 A 
ATOM     26  F   LIG    1        6.337  -3.017  -0.026  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        4.281  -2.097  -0.717  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        3.493  -0.971  -0.973  0.00  0.00    +0.027 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6