REMARK  Name = BDB057653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191  -0.539   0.611  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.054  -0.791   0.019  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.194  -0.081   0.422  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.041   0.883   1.431  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -3.142   1.634   1.839  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.052   2.329   2.568  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.388   1.506   1.303  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -4.574   0.488   0.221  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.980   0.469  -0.318  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.147  -0.380  -1.913  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.134  -1.820  -1.514  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.700  -1.399  -1.198  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -5.319   2.198   1.708  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.805   1.119   2.045  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.542  -0.295  -0.170  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        0.315   0.396   1.641  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1        6.251   1.175  -1.216  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1        4.961   0.495  -1.308  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1        4.995  -0.788  -0.575  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        3.644  -1.524  -0.626  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1        2.528  -0.678  -0.195  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1        1.358  -1.340   0.180  0.00  0.00    +0.247 C 
ATOM     23  O   LIG    1        1.240  -2.563   0.197  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        2.510   0.648  -0.827  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1        3.883   1.344  -0.766  0.00  0.00    +0.103 C 
ENDBRANCH   1  22
TORSDOF 1