REMARK  Name = BDB015412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.675   0.646   2.867  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.177   1.093   1.840  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.277   2.383   1.747  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.505   2.952   2.868  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.350   1.821   3.442  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.796   0.190   1.023  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.718  -0.802   1.621  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.153  -0.642   1.079  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.242  -0.869  -0.380  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.033  -0.389  -1.077  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.229   0.678  -0.305  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.553  -0.420  -0.862  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        4.811  -0.837  -2.327  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.496   0.540  -2.502  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        4.629   1.050  -1.325  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -1.567  -0.784   2.904  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -0.689  -1.930   2.794  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.494  -0.700   4.019  0.00  0.00    -0.150 OA
BRANCH  16  24
ATOM     19  C   LIG    1       -5.894  -0.173  -2.558  0.00  0.00    +0.149 C 
ATOM     20  N   LIG    1       -4.604  -0.691  -2.160  0.00  0.00    -0.350 N 
ATOM     21  C   LIG    1       -4.073  -0.602  -0.889  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -2.824  -1.229  -0.931  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.049  -1.291   0.243  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.542  -0.697   1.413  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -3.803  -0.100   1.444  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -2.627  -1.694  -2.259  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -4.587  -0.036   0.289  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.737  -1.346  -2.994  0.00  0.00    +0.086 A 
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 4