REMARK  Name = BDB032937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.744  -0.351  -0.790  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -2.028  -0.943   0.265  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.687  -0.615   0.561  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1       -0.043   0.321  -0.273  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.737   0.906  -1.340  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.064   0.556  -1.605  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.045  -1.245   1.729  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        0.434  -0.470   2.799  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.075  -1.069   3.885  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.241  -2.451   3.924  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        0.761  -3.237   2.880  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        0.121  -2.639   1.792  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        1.376   0.746  -0.102  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        2.269  -0.284   0.070  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1        1.956  -1.243   0.084  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        1.625   1.944  -0.170  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.596  -0.076   0.319  0.00  0.00    +0.167 A 
ATOM     18  S   LIG    1        4.478  -1.516   0.574  0.00  0.00    -0.029 S 
ATOM     19  C   LIG    1        5.888  -0.581   0.811  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        5.587   0.758   0.675  0.00  0.00    +0.082 A 
ATOM     21  N   LIG    1        4.264   1.045   0.397  0.00  0.00    -0.227 NA
BRANCH  20  22
ATOM     22  C   LIG    1        6.634   1.905   0.827  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        7.497   2.264  -0.356  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        6.412   3.201   0.089  0.00  0.00    +0.010 C 
ENDBRANCH  20  22
BRANCH  19  25
ATOM     25  N   LIG    1        7.232  -1.101   1.115  0.00  0.00    -0.021 NA
ATOM     26  O   LIG    1        7.311  -2.331   1.211  0.00  0.00    -0.143 OA
ENDBRANCH  19  25
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  27
ATOM     27  N   LIG    1       -4.045  -0.799  -1.041  0.00  0.00    -0.344 N 
ATOM     28  H   LIG    1       -4.503  -1.109  -0.186  0.00  0.00    +0.146 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.927  -0.016  -1.903  0.00  0.00    +0.101 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.309  -0.674  -1.942  0.00  0.00    +0.018 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -7.632   1.423  -2.543  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -7.272  -0.005  -2.924  0.00  0.00    -0.002 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 9