REMARK  Name = BDB015642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.423  -1.074   0.878  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.925  -0.234  -0.030  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -1.028   0.413  -0.790  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1        0.305   0.270  -0.670  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        0.761  -0.581   0.274  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.086  -1.290   1.094  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.235  -0.707   0.399  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.989   0.398   0.252  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        4.370   0.373   0.360  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        5.095   1.624   0.201  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        5.080  -0.795   0.627  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        6.302  -0.852   0.746  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.257  -2.041   0.766  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.001  -3.313   1.016  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.921  -1.965   0.651  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -1.535   1.346  -1.817  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1       -2.916   1.532  -2.025  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -3.398   2.416  -2.997  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.507   3.136  -3.787  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.137   2.972  -3.607  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.659   2.087  -2.634  0.00  0.00    +0.011 A 
ENDBRANCH   3  16
BRANCH   1  22
ATOM     22  N   LIG    1       -2.401  -1.696   1.687  0.00  0.00    -0.204 N 
ATOM     23  H   LIG    1       -2.168  -2.618   2.050  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -3.014  -0.742   2.925  0.00  0.00    +0.044 S 
ATOM     25  O   LIG    1       -1.976   0.157   3.382  0.00  0.00    -0.155 OA
ATOM     26  O   LIG    1       -3.626  -1.675   3.849  0.00  0.00    -0.155 OA
BRANCH  24  28
ATOM     27  C   LIG    1       -5.322  -0.671   1.404  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1       -4.319   0.198   2.135  0.00  0.00    +0.185 C 
ENDBRANCH  24  28
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5