REMARK  Name = BDB051376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.563   1.017   0.894  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.944  -1.430   0.824  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -3.039  -1.511  -0.237  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.893  -0.707  -0.261  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.637   0.180   0.782  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.533   0.245   1.853  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.678  -0.556   1.879  0.00  0.00    +0.018 A 
BRANCH   2   8
ATOM      8  S   LIG    1       -5.389  -2.472   0.824  0.00  0.00    -0.111 S 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.719  -1.196   0.788  0.00  0.00    +0.160 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -8.006  -1.880   1.221  0.00  0.00    +0.318 C 
ATOM     11  O   LIG    1       -8.815  -2.457   0.512  0.00  0.00    -0.250 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -8.211  -1.808   2.555  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1       -9.034  -2.321   2.693  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  C   LIG    1       -6.854  -0.593  -0.619  0.00  0.00    +0.026 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -7.816   0.602  -0.641  0.00  0.00    +0.001 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -8.860   2.398  -2.069  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -7.910   1.211  -2.040  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1        0.384   1.073  -0.171  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.464   0.005  -0.032  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.172   0.075   1.320  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.218  -0.896   1.384  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.468  -0.550   0.955  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.834   0.646   0.343  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.162   0.860  -0.052  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        7.150  -0.116   0.151  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        6.766  -1.317   0.763  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.441  -1.529   1.158  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.543   0.114  -0.268  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        9.208  -0.800  -1.102  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       10.530  -0.583  -1.501  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       11.210   0.554  -1.071  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       10.569   1.473  -0.244  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        9.247   1.254   0.153  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14