REMARK  Name = BDB003251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.214   0.730  -0.520  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -0.963   0.582   0.328  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1       -1.871   1.755  -0.065  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1       -1.563   1.807  -1.518  0.00  0.00    +0.231 C 
ATOM      5  O   LIG    1       -2.288   2.162  -2.425  0.00  0.00    -0.286 OA
ATOM      6  C   LIG    1       -0.120   1.357  -1.709  0.00  0.00    +0.289 C 
ATOM      7  O   LIG    1        0.495   1.598  -2.725  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        6.959  -2.160   1.298  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        5.795  -1.501   0.615  0.00  0.00    -0.049 A 
ATOM     10  C   LIG    1        4.547  -1.446   1.255  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.484  -0.797   0.603  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.638  -0.202  -0.648  0.00  0.00    +0.080 A 
ATOM     13  N   LIG    1        2.502   0.399  -1.159  0.00  0.00    -0.224 NA
ATOM     14  C   LIG    1        1.497   0.252  -0.332  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1        4.900  -0.251  -1.271  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        1.860  -0.576   1.122  0.00  0.00    -0.052 S 
ATOM     17  C   LIG    1        5.966  -0.895  -0.632  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  C   LIG    1       -1.530  -0.788   0.080  0.00  0.00    +0.127 A 
ATOM     19  O   LIG    1       -1.474  -1.642   1.143  0.00  0.00    -0.463 OA
ATOM     20  C   LIG    1       -2.017  -2.824   0.744  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1       -2.068  -3.894   1.758  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -2.412  -2.742  -0.572  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -2.096  -1.431  -1.004  0.00  0.00    +0.047 A 
ENDBRANCH   2  18
BRANCH   3  24
ATOM     24  C   LIG    1       -3.312   1.672   0.364  0.00  0.00    +0.211 C 
ATOM     25  O   LIG    1       -3.678   0.769   1.115  0.00  0.00    -0.288 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.204   2.754  -0.023  0.00  0.00    +0.171 A 
ATOM     27  O   LIG    1       -5.521   2.644   0.342  0.00  0.00    -0.460 OA
ATOM     28  C   LIG    1       -6.168   3.751  -0.100  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -5.293   4.591  -0.741  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.027   3.956  -0.687  0.00  0.00    +0.053 A 
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 4