REMARK  Name = BDB040381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.785   1.288  -0.413  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.542   1.389   0.755  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.750   0.688   0.893  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.600   0.951   2.380  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.233  -0.157  -0.130  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.460  -0.236  -1.308  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.941  -1.181  -2.678  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.256   0.469  -1.442  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.533  -0.949   0.004  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.604  -1.802   1.268  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.630  -2.379   1.747  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.851  -1.973   1.820  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.888  -2.551   2.648  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.064  -1.633   1.278  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.115  -2.000   1.796  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.031  -0.872  -0.025  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.761  -0.044  -0.146  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.531   2.007  -0.551  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.335   0.444  -1.200  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.625   1.122  -0.230  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.782   0.890   0.744  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.146   0.635  -2.400  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.630  -1.659   0.125  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.377  -0.561  -0.666  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        4.087  -1.261  -1.844  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.404   0.181   0.195  0.00  0.00    +0.056 A 
ATOM     27  N   LIG    1        4.446  -0.106   1.522  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        5.349   0.550   2.292  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        6.220   1.512   1.809  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        6.159   1.819   0.453  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        5.244   1.151  -0.362  0.00  0.00    +0.025 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.140   2.166   2.682  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        7.885   2.699   3.394  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6