REMARK  Name = BDB023265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.228  -2.892   0.229  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.446  -2.197  -0.404  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.725  -1.689  -1.676  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -1.127  -0.941  -2.023  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.157  -1.767   0.090  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.609  -0.921  -0.674  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.740  -0.650   0.033  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.721  -1.321   1.246  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.816  -1.145   2.101  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.877  -0.319   1.715  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.875   0.342   0.478  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.857  -1.758   3.292  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.777   0.184  -0.386  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.499  -2.039   1.277  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        4.949   1.182   0.115  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        5.337   1.602  -1.199  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        6.689   2.023  -0.604  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        6.852   3.346  -0.356  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        6.299   1.148   0.597  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -3.239  -1.660  -2.345  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -3.643  -3.032  -2.573  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.196  -0.723  -3.448  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.306  -0.965  -1.116  0.00  0.00    +0.134 A 
ATOM     24  C   LIG    1       -3.900   0.179  -0.426  0.00  0.00    +0.099 A 
ATOM     25  C   LIG    1       -4.804   0.700   0.530  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.437   1.847   1.249  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.205   2.445   1.025  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -2.384   1.866   0.084  0.00  0.00    +0.130 A 
ATOM     29 CL   LIG    1       -0.829   2.503  -0.251  0.00  0.00    -0.062 Cl
ATOM     30  C   LIG    1       -6.045   0.081   0.763  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -6.410  -1.064   0.063  0.00  0.00    +0.003 A 
ATOM     32  N   LIG    1       -2.698   0.766  -0.630  0.00  0.00    -0.233 NA
ATOM     33  C   LIG    1       -5.539  -1.592  -0.880  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 4