REMARK  Name = BDB003576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.517  -0.789  -0.555  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.704  -1.512  -0.665  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.923  -0.819  -0.776  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -2.966   0.585  -0.792  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -1.759   1.292  -0.720  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.545   0.613  -0.607  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.249   1.291  -0.899  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -4.865   1.917   0.208  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -6.095   2.582   0.026  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.713   2.621  -1.224  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.112   1.998  -2.311  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.893   1.340  -2.151  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.232   1.902   1.581  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -3.868   0.658   2.001  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.106   2.667   1.648  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -5.053   2.385   2.559  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     17  C   LIG    1        1.010  -0.608   1.921  0.00  0.00    +0.132 C 
ATOM     18  N   LIG    1        1.528  -1.276   0.730  0.00  0.00    -0.300 N 
ATOM     19  C   LIG    1        0.806  -1.423  -0.456  0.00  0.00    +0.248 C 
ATOM     20  O   LIG    1        1.198  -2.053  -1.430  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.901  -1.787   0.776  0.00  0.00    +0.111 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.024  -0.765   0.503  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.174   0.304   1.589  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        5.475   1.097   1.418  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.954   1.182  -0.032  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        4.792   1.158  -1.016  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        3.939  -0.109  -0.887  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  19
BRANCH   2  28
ATOM     28  S   LIG    1       -1.792  -3.286  -0.655  0.00  0.00    -0.005 S 
ATOM     29  O   LIG    1       -3.083  -3.606  -0.064  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1       -1.486  -3.737  -1.997  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1       -0.598  -3.940   0.471  0.00  0.00    +0.200 C 
ENDBRANCH   2  28
TORSDOF 6