REMARK  Name = BDB057652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.407   0.597  -1.198  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.498  -0.198  -0.816  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.582   0.358  -0.122  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.550   1.737   0.142  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.618   2.335   0.809  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -4.612   3.326   1.009  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.730   1.662   1.219  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.796   0.195   0.928  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -7.094  -0.423   1.377  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -7.432  -2.047   0.643  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.781  -2.745   0.853  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.747  -1.930   0.079  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.631   2.246   1.815  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.476   2.539  -0.258  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.760  -0.434   0.325  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.402   1.968  -0.936  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -0.587  -0.698  -2.940  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -0.298  -0.038  -1.945  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        1.006   0.137  -1.497  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        1.386   0.634  -0.169  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        2.658  -0.049   0.375  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        3.832  -0.031  -0.525  0.00  0.00    -0.299 NA
ATOM     23  C   LIG    1        3.448   0.198  -1.935  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.091  -0.421  -2.304  0.00  0.00    +0.123 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.879   0.909  -0.111  0.00  0.00    +0.085 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.650   0.445   1.132  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.312  -0.922   0.941  0.00  0.00    +0.114 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.114  -1.323   2.157  0.00  0.00    +0.390 C 
ATOM     29  F   LIG    1        7.691  -2.530   1.973  0.00  0.00    -0.171 F 
ATOM     30  F   LIG    1        6.335  -1.404   3.257  0.00  0.00    -0.171 F 
ATOM     31  F   LIG    1        8.098  -0.433   2.410  0.00  0.00    -0.171 F 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 5