REMARK  Name = BDB037154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.865   1.765   0.776  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.816   2.205  -0.136  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.214   0.552   1.029  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -0.531  -0.213   1.926  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.902   0.218   0.099  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        1.296  -1.126   0.002  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        2.323  -1.511  -0.865  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.960  -0.541  -1.659  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.573   0.807  -1.544  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.552   1.186  -0.672  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.772  -2.796  -1.017  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        2.239  -3.786  -0.144  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.083  -0.902  -2.604  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.383  -0.608  -2.017  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.014   0.550  -2.315  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.157   0.470  -1.629  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.269  -0.731  -0.906  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.108  -1.413  -1.182  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.194   2.307   1.632  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.743   2.532   2.988  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.736   3.400   0.847  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.643   0.407   0.291  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -3.355   0.977   1.540  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -4.003   0.489   2.678  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.924  -0.560   2.566  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.174  -1.151   1.328  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.529  -0.672   0.191  0.00  0.00    +0.048 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -3.856   1.071   3.905  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.012   0.280   4.746  0.00  0.00    +0.277 C 
ENDBRANCH  24  28
BRANCH  22  30
ATOM     30  O   LIG    1       -3.015   0.848  -0.847  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -3.115   2.305  -2.733  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -3.932   1.540  -1.708  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9