REMARK  Name = BDB002702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.396  -1.212   0.694  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.842  -0.852   0.426  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1        2.663  -1.209   1.494  0.00  0.00    -0.207 N 
ATOM      4  H   LIG    1        2.300  -1.894   2.152  0.00  0.00    +0.177 HD
ATOM      5  O   LIG    1        2.211  -0.313  -0.613  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  N   LIG    1        4.036  -1.153   1.478  0.00  0.00    -0.187 NA
ATOM      7  C   LIG    1        4.604  -0.162   0.863  0.00  0.00    +0.145 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.045  -0.090   0.787  0.00  0.00    +0.033 A 
ATOM      9  S   LIG    1        6.779   1.247   0.009  0.00  0.00    -0.080 S 
ATOM     10  C   LIG    1        8.330   0.640   0.317  0.00  0.00    +0.055 A 
ATOM     11 BR   LIG    1        9.929   1.534  -0.230  0.00  0.00    -0.043 Br
ATOM     12  C   LIG    1        8.323  -0.552   0.995  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        6.989  -0.978   1.269  0.00  0.00    +0.018 A 
ENDBRANCH   7   8
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.510  -0.798  -0.459  0.00  0.00    +0.105 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -2.321  -1.721   0.840  0.00  0.00    -0.276 OA
ATOM     16  C   LIG    1       -1.952  -1.162  -0.186  0.00  0.00    +0.214 C 
ATOM     17  N   LIG    1       -2.796  -0.805  -1.213  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -2.444  -0.197  -1.940  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.230  -0.947  -1.107  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.870   0.370  -0.754  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.912   0.799   0.581  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.482   2.029   0.913  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.011   2.844  -0.086  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.968   2.433  -1.417  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.397   1.203  -1.751  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 7