REMARK  Name = BDB064300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215   1.367   0.705  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.285   1.392   2.052  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.322   1.901   2.667  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.394   0.717   2.445  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.826   0.550   3.567  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.957   0.247   1.148  0.00  0.00    +0.131 C 
ATOM      7  C   LIG    1        3.068  -0.497   1.106  0.00  0.00    +0.061 C 
ATOM      8  N   LIG    1        1.173   0.720   0.119  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.736  -1.040  -0.083  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        3.009  -1.190  -1.210  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        3.591  -1.681  -2.333  0.00  0.00    +0.140 A 
ATOM     12  C   LIG    1        4.937  -2.062  -2.341  0.00  0.00    +0.096 A 
ATOM     13  C   LIG    1        5.659  -1.923  -1.155  0.00  0.00    +0.042 A 
ATOM     14  S   LIG    1        7.275  -2.466  -1.412  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        6.888  -2.821  -3.041  0.00  0.00    +0.157 A 
ATOM     16  N   LIG    1        5.653  -2.576  -3.415  0.00  0.00    -0.246 NA
ATOM     17  C   LIG    1        5.074  -1.411   0.008  0.00  0.00    +0.045 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.785   2.020   0.051  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.466   2.117  -0.920  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.136   1.416  -0.079  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.057   0.178  -0.996  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -1.139  -0.510  -3.060  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -1.538   0.600  -2.266  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -2.767   1.126   1.294  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.246   0.690   1.267  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -4.716   0.379   2.692  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -5.160   1.747   0.644  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7