REMARK  Name = BDB057186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.415   1.404  -1.473  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.327   1.275  -0.918  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -4.015   0.030  -0.182  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.724  -0.394   0.172  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -2.498  -1.600   0.837  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -3.572  -2.428   1.183  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -4.853  -2.018   0.831  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -5.896  -2.798   1.145  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.162  -1.800   1.058  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -0.548  -0.765   0.523  0.00  0.00    +0.149 A 
ATOM     11  N   LIG    1       -1.461   0.134   0.018  0.00  0.00    -0.321 N 
ATOM     12  C   LIG    1       -1.157   1.445  -0.520  0.00  0.00    +0.142 C 
ATOM     13  C   LIG    1       -2.227   2.478  -0.200  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1       -5.079  -0.824   0.160  0.00  0.00    +0.053 A 
ATOM     15  N   LIG    1       -3.425   2.303  -0.992  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -3.819   3.117  -1.452  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        0.879  -0.621   0.487  0.00  0.00    +0.055 A 
ATOM     18  S   LIG    1        1.814  -0.786   1.915  0.00  0.00    -0.089 S 
ATOM     19  C   LIG    1        3.261  -0.487   1.075  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.603  -0.502   1.744  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1        5.619   0.167   0.902  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1        5.405   1.164   0.897  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        5.556  -0.333  -0.487  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        4.215  -0.009  -1.187  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        3.057  -0.281  -0.275  0.00  0.00    -0.034 A 
ATOM     26  C   LIG    1        1.675  -0.361  -0.615  0.00  0.00    +0.023 A 
ENDBRANCH  10  17
TORSDOF 1