REMARK  Name = BDB032657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.749  -1.776   0.693  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.190  -2.950   0.282  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.126  -3.016   0.714  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        1.350  -1.870   1.359  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.196  -1.064   1.394  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.108  -2.512   0.184  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.124  -1.505   0.280  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -2.469  -0.172  -0.030  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.765   0.162  -0.442  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -4.727  -0.848  -0.543  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -4.401  -2.172  -0.230  0.00  0.00    +0.048 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -4.120   1.504  -0.760  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -5.378   1.813  -1.174  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.356   3.130  -1.378  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -4.104   3.695  -1.107  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -3.326   2.632  -0.713  0.00  0.00    +0.114 A 
ENDBRANCH   9  12
BRANCH   6  18
ATOM     17  C   LIG    1       -3.669  -4.833   0.351  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.733  -3.781   0.541  0.00  0.00    -0.494 OA
ENDBRANCH   6  18
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  N   LIG    1        2.604  -1.605   1.886  0.00  0.00    -0.197 N 
ATOM     20  H   LIG    1        3.326  -2.293   1.680  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.195  -0.053   2.094  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1        4.593  -0.165   2.464  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        2.284   0.660   2.965  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.137   0.619   0.452  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1        3.945   0.036  -0.537  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        3.915   0.520  -1.849  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.103   1.603  -2.176  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        2.310   2.195  -1.196  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        2.334   1.715   0.119  0.00  0.00    +0.150 A 
BRANCH  25  30
ATOM     30  O   LIG    1        4.686  -1.081  -0.250  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        6.087  -0.850  -0.423  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  29  32
ATOM     32  O   LIG    1        1.469   2.298   1.003  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        2.045   3.479   1.567  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 8