REMARK  Name = BDB051197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.796  -1.359  -0.560  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.579  -2.492  -1.370  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.068  -2.224  -2.645  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.160  -3.287  -3.511  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.091  -4.610  -3.141  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.580  -4.888  -1.873  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.211  -0.991  -3.069  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1        0.003   0.016  -2.212  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1       -0.822  -3.838  -0.989  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.491  -0.118  -0.977  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.354  -1.538   0.739  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -2.165  -2.147   0.679  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -0.317   2.105   3.993  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -0.889   0.962   3.245  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -1.961   0.307   3.707  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -2.174  -0.645   2.784  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -2.948  -1.281   2.928  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -1.285  -0.626   1.742  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -0.428   0.412   2.026  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1        0.374   1.651  -2.810  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1        0.986   2.446  -1.338  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        2.255   2.139  -0.837  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        2.724   2.788   0.305  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1        4.279   2.399   0.930  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        1.946   3.750   0.946  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.684   4.066   0.444  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        0.207   3.416  -0.697  0.00  0.00    +0.015 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4