REMARK  Name = BDB053543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.043   1.465   1.115  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.323   1.017   0.401  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        2.343   0.517   1.229  0.00  0.00    -0.185 N 
ATOM      4  H   LIG    1        2.185   0.399   2.225  0.00  0.00    +0.177 HD
ATOM      5  O   LIG    1        1.466   1.157  -0.808  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1        3.816  -0.044   0.721  0.00  0.00    +0.074 S 
ATOM      7  O   LIG    1        4.470  -0.522   1.923  0.00  0.00    -0.150 OA
ATOM      8  O   LIG    1        4.447   0.952  -0.115  0.00  0.00    -0.150 OA
BRANCH   6   9
ATOM      9  C   LIG    1        3.401  -1.464  -0.259  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1        3.258  -2.711   0.360  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.985  -3.838  -0.417  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.863  -3.717  -1.803  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        3.011  -2.471  -2.417  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        3.288  -1.341  -1.646  0.00  0.00    +0.029 A 
ENDBRANCH   6   9
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.242   2.908   1.609  0.00  0.00    +0.024 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.977   3.582   2.253  0.00  0.00    +0.002 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.250   3.605   1.401  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.074   4.340   0.070  0.00  0.00    -0.000 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.975   3.186  -1.181  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -3.384   4.505  -0.704  0.00  0.00    -0.003 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  21
ATOM     21  S   LIG    1       -0.388   0.331   2.498  0.00  0.00    -0.086 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.639  -1.166   1.624  0.00  0.00    +0.136 A 
ATOM     23  S   LIG    1       -0.988  -2.642   2.410  0.00  0.00    -0.061 S 
ATOM     24  C   LIG    1       -1.002  -3.445   0.885  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -0.736  -2.511  -0.120  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -0.686  -2.942  -1.459  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -0.897  -4.292  -1.748  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -1.168  -5.210  -0.737  0.00  0.00    +0.021 A 
ATOM     29 CL   LIG    1       -0.813  -4.829  -3.381  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -1.228  -4.802   0.599  0.00  0.00    +0.018 A 
ATOM     31  N   LIG    1       -0.534  -1.214   0.319  0.00  0.00    -0.233 NA
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 10