REMARK  Name = BDB063611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.227   2.560   1.912  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.723   2.238  -0.286  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.626   1.547   0.476  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.709   0.206   0.890  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.757  -0.308   1.787  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.902  -1.644   2.460  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.621   0.459   2.095  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.467   1.757   1.597  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -2.481   2.295   0.797  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.802  -0.546   0.550  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.722  -1.359  -0.651  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.659  -2.461  -0.573  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -4.543  -0.538  -1.935  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.100  -2.045  -0.727  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -7.040  -1.927   0.046  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.241  -2.866  -1.793  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.152  -3.214  -1.690  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.809   2.334   0.931  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        1.754   1.348   1.020  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        1.855   0.581   1.967  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        2.555   1.406  -0.133  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        2.110   2.476  -0.999  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        0.946   3.043  -0.221  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        0.263   3.990  -0.588  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        3.646   0.560  -0.470  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.035  -0.512   0.345  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        5.111  -1.340  -0.001  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        5.822  -1.091  -1.172  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1        5.450  -0.043  -2.011  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        4.371   0.775  -1.657  0.00  0.00    +0.025 A 
BRANCH  28  31
ATOM     31  S   LIG    1        7.178  -2.149  -1.617  0.00  0.00    -0.006 S 
ATOM     32  O   LIG    1        6.874  -3.476  -1.117  0.00  0.00    -0.170 OA
ATOM     33  O   LIG    1        7.461  -1.929  -3.023  0.00  0.00    -0.170 OA
ATOM     34  C   LIG    1        8.532  -1.494  -0.677  0.00  0.00    +0.200 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8