REMARK  Name = BDB062609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.415  -0.150  -1.346  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.079  -1.559  -1.369  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.220   0.712  -2.490  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -8.392   0.847   0.874  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -6.973   1.234   0.531  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -6.125   0.178   0.247  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -4.771   0.286  -0.122  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -4.225  -0.985  -0.321  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -2.899  -1.153  -0.694  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -2.122  -0.005  -0.869  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -2.664   1.278  -0.679  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -5.234  -2.059  -0.070  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -4.002   1.425  -0.298  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -6.495  -1.248   0.253  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -6.653   2.422   0.527  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.352   0.503   0.033  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        0.283  -0.200   0.771  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.721   0.868  -0.187  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        2.740  -0.065   0.022  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.084   0.266  -0.234  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        4.368   1.554  -0.709  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.343   2.477  -0.938  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.018   2.131  -0.685  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.147  -0.790   0.025  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        6.510  -0.589  -0.652  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1        7.383   0.173   0.349  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        6.619   0.182   1.670  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        5.526  -0.865   1.508  0.00  0.00    +0.008 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4