REMARK  Name = BDB051755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.701  -2.556   0.237  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.769  -1.407   0.623  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.611  -1.569  -0.001  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.425  -0.476   0.424  0.00  0.00    -0.394 OA
BRANCH   4   7
ATOM      5  C   LIG    1        3.073   1.466   1.136  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        3.494   0.344   0.207  0.00  0.00    +0.084 C 
ATOM      7  N   LIG    1        2.698  -0.624  -0.144  0.00  0.00    -0.089 NA
BRANCH   6   8
ATOM      8  C   LIG    1        4.886   0.355  -0.339  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1        5.473  -0.860  -0.725  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        6.768  -0.887  -1.248  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        7.479   0.308  -1.380  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        6.897   1.528  -1.026  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.600   1.550  -0.504  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  S   LIG    1        9.120   0.278  -2.063  0.00  0.00    -0.006 S 
ATOM     15  O   LIG    1        9.428   1.620  -2.521  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1        9.193  -0.853  -2.969  0.00  0.00    -0.170 OA
ATOM     17  C   LIG    1       10.140  -0.070  -0.655  0.00  0.00    +0.200 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   4   7
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -3.081  -2.411   0.870  0.00  0.00    +0.263 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.705  -1.232   0.364  0.00  0.00    -0.394 OA
BRANCH  19  20
ATOM     20  N   LIG    1       -4.941  -1.057   0.998  0.00  0.00    -0.089 NA
ATOM     21  C   LIG    1       -5.576  -0.011   0.547  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.075   0.940  -0.477  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1       -3.862   1.605  -0.278  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.408   2.515  -1.232  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.166   2.762  -2.377  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.379   2.100  -2.573  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.839   1.188  -1.622  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -6.971   0.252   1.102  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.012   0.059   2.614  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.465  -1.328   2.999  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -8.503  -1.553   3.605  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.612  -2.310   2.640  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -5.836  -1.981   2.123  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14