REMARK  Name = BDB032977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.632   0.491   1.202  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -0.602  -0.450   1.294  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.498  -0.411   0.428  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1        0.614   0.591  -0.549  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -0.425   1.536  -0.673  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1       -0.408   2.630  -1.709  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.542   1.450   0.187  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.798   0.631  -1.469  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1        3.000   0.322  -0.875  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1        2.996  -0.004   0.085  0.00  0.00    +0.157 HD
ATOM     11  O   LIG    1        1.626   0.932  -2.644  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.237   0.291  -1.461  0.00  0.00    +0.167 A 
ATOM     13  S   LIG    1        4.517   0.770  -3.076  0.00  0.00    -0.028 S 
ATOM     14  C   LIG    1        6.164   0.418  -2.874  0.00  0.00    +0.185 A 
ATOM     15  C   LIG    1        6.413  -0.034  -1.601  0.00  0.00    +0.153 A 
ATOM     16  N   LIG    1        5.296  -0.105  -0.787  0.00  0.00    -0.231 NA
BRANCH  14  17
ATOM     17  N   LIG    1        7.113   0.596  -3.924  0.00  0.00    +0.065 N 
ATOM     18  O   LIG    1        8.295   0.360  -3.638  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        6.704   0.963  -5.032  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   4   8
BRANCH   1  20
ATOM     20  N   LIG    1       -2.746   0.338   2.031  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -2.504  -0.107   2.914  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.708   1.424   2.186  0.00  0.00    +0.101 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.827   1.023   3.153  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.469  -1.245   2.133  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.923   0.151   2.528  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   3  26
ATOM     26  O   LIG    1        1.498  -1.341   0.585  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1        1.058  -2.648   0.188  0.00  0.00    +0.226 C 
ATOM     28  C   LIG    1        2.291  -3.497  -0.060  0.00  0.00    +0.048 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 9