REMARK  Name = BDB051150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.483  -0.468   0.762  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.588   0.914   0.599  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.817   1.560   0.754  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.964   0.830   1.086  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        3.854  -0.559   1.247  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.622  -1.203   1.088  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.224  -0.969   0.587  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.079  -2.388   0.578  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.386  -2.746   0.288  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -2.414  -1.218  -1.453  0.00  0.00    +0.215 C 
ATOM     11  N   LIG    1       -1.816  -2.423  -1.080  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -1.296  -3.267  -2.146  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1       -2.546  -0.899  -2.636  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -2.946  -0.330  -0.335  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.598   0.947  -0.868  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.029   1.916   0.237  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.051   1.369   1.238  0.00  0.00    -0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -7.134   1.907  -0.133  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -6.357   0.849   0.633  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        5.296   1.526   1.246  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.211   1.336   0.077  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        7.308   0.567  -0.023  0.00  0.00    +0.204 A 
ATOM     23  N   LIG    1        7.941   0.639  -1.223  0.00  0.00    -0.287 N 
ATOM     24  H   LIG    1        8.773   0.108  -1.428  0.00  0.00    +0.172 HD
ATOM     25  C   LIG    1        7.392   1.481  -2.153  0.00  0.00    +0.291 A 
ATOM     26  O   LIG    1        7.796   1.698  -3.281  0.00  0.00    -0.260 OA
ATOM     27  S   LIG    1        5.967   2.228  -1.421  0.00  0.00    -0.028 S 
BRANCH  22  28
ATOM     28  O   LIG    1        7.861  -0.260   0.899  0.00  0.00    -0.493 OA
ATOM     29  H   LIG    1        7.334  -0.224   1.714  0.00  0.00    +0.294 HD
ENDBRANCH  22  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 12