REMARK  Name = BDB062280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152  -1.522   1.390  0.00  0.00    -0.005 C 
ATOM      2  C   LIG    1        1.298  -1.560   2.410  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        2.264  -0.390   2.225  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1        2.770  -0.355   0.847  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        1.718  -0.295  -0.180  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        0.742  -1.462  -0.024  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.893   0.392   0.578  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        5.245   0.504   1.658  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.082   1.517   0.555  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        5.289   1.700  -0.573  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        5.777   2.501  -1.626  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        7.039   3.095  -1.519  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.810   2.895  -0.379  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        9.361   3.635  -0.265  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.352   2.105   0.679  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        4.067   1.056  -0.546  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.773  -2.739   1.596  0.00  0.00    +0.044 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.994  -2.775   0.674  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.726  -1.562   0.831  0.00  0.00    -0.492 OA
BRANCH  19  22
ATOM     20  C   LIG    1       -5.528   0.215  -0.659  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1       -4.406  -0.118   0.115  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -3.808  -1.379   0.015  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -4.341  -2.319  -0.866  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -5.454  -1.996  -1.647  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.043  -0.736  -1.547  0.00  0.00    +0.004 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -6.151   1.586  -0.553  0.00  0.00    +0.155 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -4.868   2.381  -2.497  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -5.630   2.576  -1.566  0.00  0.00    +0.309 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -6.132   3.814  -1.358  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -5.726   4.350  -2.071  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8