REMARK  Name = BDB015379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.323  -1.411   0.300  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        1.059  -1.585   0.105  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        1.399  -2.703  -0.453  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.138  -3.430  -0.752  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -0.065  -3.445  -2.262  0.00  0.00    +0.034 C 
ATOM      6  C   LIG    1       -0.986  -2.691  -0.016  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.903  -0.591   0.497  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1        1.944   0.614  -0.361  0.00  0.00    +0.123 C 
ATOM      9  C   LIG    1        3.049   1.582   0.098  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        4.415   1.011  -0.035  0.00  0.00    -0.296 NA
ATOM     11  C   LIG    1        4.380  -0.462   0.154  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1        3.224  -0.974   1.035  0.00  0.00    +0.123 C 
BRANCH  10  13
ATOM     13  C   LIG    1        5.300   1.633   0.963  0.00  0.00    +0.057 C 
ATOM     14  C   LIG    1        5.551   3.122   0.599  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        7.033   2.870   0.947  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1        6.784   1.394   0.572  0.00  0.00    +0.019 C 
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  17
ATOM     17  S   LIG    1       -1.013  -0.515   1.556  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -1.138  -1.379   2.713  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -0.414   0.799   1.667  0.00  0.00    -0.150 OA
BRANCH  17  23
ATOM     20  C   LIG    1       -5.227   0.211  -0.097  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1       -4.108   0.824  -0.684  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.827   0.605  -0.175  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -2.659  -0.238   0.925  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1       -3.757  -0.849   1.531  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -5.036  -0.625   1.016  0.00  0.00    +0.006 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.771  -0.058  -2.074  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -6.631   0.439  -0.633  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -7.044   1.908  -0.519  0.00  0.00    +0.012 C 
ENDBRANCH  20  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 5