REMARK  Name = BDB032620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.172   0.209   2.635  0.00  0.00    -0.201 N 
ATOM      2  H   LIG    1       -0.420   1.006   3.216  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.008  -0.196   1.609  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.736  -1.185   0.760  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.804  -1.236  -0.115  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -2.709  -0.266   0.202  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -2.233   0.427   1.292  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.901  -0.181  -0.636  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.867   0.811  -0.402  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -6.012   0.901  -1.200  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.208   0.000  -2.244  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.262  -0.990  -2.490  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.117  -1.080  -1.692  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        0.649  -2.002   3.552  0.00  0.00    -0.155 OA
ATOM     15  S   LIG    1        1.109  -0.673   3.216  0.00  0.00    +0.045 S 
ATOM     16  O   LIG    1        1.702   0.167   4.239  0.00  0.00    -0.155 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.267  -0.773   1.855  0.00  0.00    +0.193 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.606   0.596   1.288  0.00  0.00    +0.059 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.602   0.491   0.160  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        3.174   0.156  -1.132  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.097   0.041  -2.173  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.452   0.255  -1.931  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.887   0.583  -0.648  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.967   0.699   0.395  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6