REMARK  Name = BDB001992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.385   0.939   0.816  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        0.529   2.293   1.122  0.00  0.00    +0.225 C 
ATOM      3  O   LIG    1       -0.162   2.829   1.993  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.368   0.118   0.192  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.996  -0.857  -0.745  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        1.959  -1.681  -1.332  0.00  0.00    +0.164 A 
ATOM      7  O   LIG    1        1.505  -2.608  -2.236  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1        2.506  -3.589  -2.531  0.00  0.00    +0.270 C 
ATOM      9  C   LIG    1        3.857  -2.931  -2.757  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1        4.306  -2.281  -1.562  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1        3.306  -1.533  -1.000  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        3.684  -0.599  -0.042  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        2.718   0.217   0.555  0.00  0.00    +0.027 A 
ENDBRANCH   1   4
BRANCH   2  14
ATOM     14  C   LIG    1        1.507   3.132   0.298  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        1.163   3.114  -1.192  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1        1.851   4.300  -1.804  0.00  0.00    +0.190 C 
ATOM     17  O   LIG    1        2.067   4.454  -2.995  0.00  0.00    -0.285 OA
ATOM     18  S   LIG    1        2.291   5.492  -0.591  0.00  0.00    -0.087 S 
ATOM     19  C   LIG    1        1.431   4.597   0.729  0.00  0.00    +0.090 C 
ENDBRANCH   2  14
BRANCH   1  20
ATOM     20  C   LIG    1       -0.878   0.305   1.227  0.00  0.00    +0.209 C 
BRANCH  20  23
ATOM     21  N   LIG    1       -3.208  -0.027   0.341  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -3.806   0.245  -0.433  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -1.989   0.573   0.209  0.00  0.00    +0.231 C 
ATOM     24  O   LIG    1       -1.841   1.343  -0.744  0.00  0.00    -0.274 OA
BRANCH  21  26
ATOM     25  C   LIG    1       -3.037  -2.469   0.692  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -3.686  -1.157   1.159  0.00  0.00    +0.026 C 
ATOM     27  C   LIG    1       -5.209  -1.270   0.938  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -3.450  -0.945   2.661  0.00  0.00    +0.031 C 
ENDBRANCH  21  26
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5