REMARK  Name = BDB017054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099  -0.586   0.037  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.252  -0.405  -0.244  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.822  -1.628   0.044  0.00  0.00    -0.329 N 
ATOM      4  C   LIG    1        0.167  -2.470   0.469  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        1.336  -1.878   0.476  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.998   0.745  -0.740  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.120   0.963  -2.117  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -1.842   2.060  -2.594  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.439   2.939  -1.692  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -3.329   4.290  -2.278  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -2.319   2.734  -0.319  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.596   1.637   0.157  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1        4.501   0.943  -0.043  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.495  -0.017   0.057  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        2.176   0.394  -0.091  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        1.844   1.685  -0.337  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        2.842   2.586  -0.460  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        4.177   2.267  -0.324  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1        6.810   1.127  -0.542  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.929   0.588   0.104  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.162  -0.345   1.050  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.394  -0.590   1.599  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  C   LIG    1       -2.220  -2.012  -0.097  0.00  0.00    +0.127 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.976  -1.832   1.185  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -3.032  -2.931   2.217  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.258  -2.591   1.416  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6