REMARK  Name = BDB020798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.756   0.182   0.259  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.981  -0.921   0.717  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.374  -0.730   0.827  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.867  -1.893   1.343  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.104  -2.767   1.479  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.012   0.465   0.485  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.302   1.485   0.084  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.274  -2.154   1.081  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.066   1.313  -0.016  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -3.787   0.317  -1.105  0.00  0.00    -0.012 C 
ATOM     11  C   LIG    1       -5.251   0.323  -1.425  0.00  0.00    +0.096 C 
ATOM     12  S   LIG    1       -6.311   0.556   0.020  0.00  0.00    -0.156 S 
ATOM     13  C   LIG    1       -5.444  -0.575   1.141  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.003  -0.120   1.368  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -3.212   0.142   0.102  0.00  0.00    -0.038 C 
ENDBRANCH   1  15
BRANCH   6  16
ATOM     16  N   LIG    1        2.380   0.582   0.589  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.613   1.576   0.541  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.221  -0.081  -0.410  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.667   0.230  -0.251  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        5.041   1.515  -0.523  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        6.380   1.591  -0.312  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        6.873   0.373   0.094  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.765  -0.509   0.137  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4