REMARK  Name = BDB053919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837   0.209  -0.195  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.042  -0.870  -0.536  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.483  -1.731  -0.825  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.350   1.323  -0.018  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.378  -2.462   0.888  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        2.938  -1.204   0.325  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.254  -0.079  -0.104  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.380   1.135  -0.552  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.691   0.075  -0.212  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.319  -1.112   0.229  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        6.102   0.472  -0.405  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        7.112  -0.475  -0.148  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        8.465  -0.161  -0.312  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        8.831   1.111  -0.737  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       10.492   1.504  -0.941  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        7.855   2.069  -0.997  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.500   1.751  -0.832  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -1.404  -0.733  -0.685  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -2.134  -0.604   0.670  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -3.584  -0.389   0.494  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1       -4.178  -0.871  -0.767  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -3.470  -2.144  -1.224  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -1.980  -1.911  -1.488  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.101   0.867   0.873  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -5.367   0.991   1.485  0.00  0.00    +0.080 A 
ATOM     26  C   LIG    1       -5.923   2.244   1.785  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -5.210   3.406   1.504  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.950   3.313   0.920  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.406   2.061   0.606  0.00  0.00    +0.024 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -6.172  -0.185   1.848  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1       -7.260  -0.474   1.384  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.610  -0.879   2.853  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -6.231  -1.617   3.010  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6