REMARK  Name = BDB039829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.251  -1.486  -1.179  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.637  -2.291  -1.148  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.688  -0.218  -1.387  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.313   0.737  -1.822  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.715  -0.164  -1.015  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.422   0.961  -1.356  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.696   0.801  -0.909  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.831  -0.418  -0.270  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.083  -0.750   0.257  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.138   0.173   0.112  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.997   1.424  -0.529  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.730   1.727  -1.065  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.554  -1.035  -0.338  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        6.086   2.300  -0.662  0.00  0.00    -0.336 N 
ATOM     15  C   LIG    1        5.867   3.629  -1.232  0.00  0.00    +0.129 C 
ATOM     16  C   LIG    1        7.179   2.205   0.305  0.00  0.00    +0.129 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  S   LIG    1       -2.793  -1.935  -1.589  0.00  0.00    +0.078 S 
ATOM     18  O   LIG    1       -3.472  -0.932  -2.374  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.590  -3.274  -2.110  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -3.412  -1.238   1.026  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -3.684  -2.094  -0.050  0.00  0.00    +0.153 A 
ATOM     22  C   LIG    1       -4.661  -3.109   0.102  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1       -5.094  -4.026  -1.012  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1       -5.266  -3.291   1.360  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.938  -2.475   2.439  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.015  -1.450   2.272  0.00  0.00    +0.048 A 
BRANCH  20  27
ATOM     27  O   LIG    1       -2.523  -0.201   0.945  0.00  0.00    -0.490 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.211   1.052   0.784  0.00  0.00    +0.229 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -1.832   2.154   2.598  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -2.258   2.192   1.137  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 7