REMARK  Name = BDB002583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.377  -2.099  -1.394  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.695  -0.963  -0.672  0.00  0.00    +0.044 A 
ATOM      3  N   LIG    1       -3.314  -0.427   0.337  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1       -2.676   0.598   0.970  0.00  0.00    +0.253 A 
ATOM      5  N   LIG    1       -1.415   1.052   0.559  0.00  0.00    -0.199 N 
ATOM      6  N   LIG    1       -1.029   2.084   1.349  0.00  0.00    -0.152 NA
ATOM      7  C   LIG    1       -2.055   2.188   2.194  0.00  0.00    +0.247 A 
ATOM      8  C   LIG    1       -0.740   0.471  -0.523  0.00  0.00    +0.070 A 
ATOM      9  N   LIG    1       -3.074   1.313   1.999  0.00  0.00    -0.197 NA
ATOM     10  C   LIG    1       -1.349  -0.541  -1.178  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.621   1.055  -0.872  0.00  0.00    +0.170 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.735   0.375  -0.077  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1        2.252   1.002   1.072  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.250   0.386   1.827  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.869   1.172   3.227  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.747  -0.861   1.459  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.240  -1.499   0.328  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.239  -0.890  -0.432  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
BRANCH  11  19
ATOM     19  C   LIG    1        0.870   1.022  -2.335  0.00  0.00    +0.077 C 
ATOM     20  N   LIG    1        1.036   0.965  -3.483  0.00  0.00    -0.196 NA
ENDBRANCH  11  19
ENDBRANCH   8  11
TORSDOF 3