REMARK  Name = BDB014516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.380   3.751   0.334  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.507   3.103  -0.218  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.268   1.960  -0.949  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -1.074   1.367  -1.168  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.017   1.285  -0.888  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.198   0.514   0.428  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.279  -0.594   0.469  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.768  -1.338   0.060  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.630  -0.026   0.657  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        2.933  -1.248  -0.129  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        3.951  -2.075   0.554  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        5.372  -1.677   0.238  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.693  -1.476  -1.115  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.003  -1.177  -1.490  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.990  -1.062  -0.511  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.672  -1.254   0.836  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.565  -1.620  -2.099  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.365  -1.568   1.212  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.305  -0.932  -1.533  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.980   3.528  -0.174  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.925   2.506   0.128  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.699   1.816   1.288  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.821   0.422   1.284  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.609  -0.316   2.456  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -2.300   0.343   3.645  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.206   1.732   3.663  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.409   2.468   2.492  0.00  0.00    +0.047 A 
BRANCH  23  28
ATOM     28  S   LIG    1       -3.187  -0.448  -0.218  0.00  0.00    +0.064 S 
ATOM     29  O   LIG    1       -3.170  -1.874   0.048  0.00  0.00    -0.153 OA
ATOM     30  O   LIG    1       -2.382   0.108  -1.289  0.00  0.00    -0.153 OA
BRANCH  28  31
ATOM     31  N   LIG    1       -4.808  -0.033  -0.514  0.00  0.00    -0.176 NA
ATOM     32  C   LIG    1       -5.337  -0.440  -1.843  0.00  0.00    +0.109 C 
ATOM     33  C   LIG    1       -6.651  -1.153  -1.554  0.00  0.00    +0.018 C 
ATOM     34  C   LIG    1       -7.108  -0.524  -0.254  0.00  0.00    +0.018 C 
ATOM     35  C   LIG    1       -5.804  -0.405   0.520  0.00  0.00    +0.109 C 
ENDBRANCH  28  31
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10