REMARK  Name = BDB062004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.497   0.252   0.028  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.175   0.499   1.351  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -1.595   0.331   1.024  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.810   0.266  -0.312  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1       -3.102   0.117  -0.715  0.00  0.00    -0.242 NA
ATOM      6  C   LIG    1       -3.876   0.059   0.368  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1       -3.010   0.200   1.889  0.00  0.00    -0.071 S 
ATOM      8  C   LIG    1       -0.547   0.395  -1.063  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.346  -0.107   0.319  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -5.971  -0.212  -0.940  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -7.355  -0.370  -1.053  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -8.131  -0.425   0.095  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -9.457  -0.576  -0.008  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.548  -0.325   1.351  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.162  -0.167   1.464  0.00  0.00    +0.013 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  C   LIG    1        1.648   1.125  -0.231  0.00  0.00    +0.134 C 
BRANCH  16  18
ATOM     17  C   LIG    1        2.962   0.932   1.981  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1        2.974   0.725   0.465  0.00  0.00    +0.141 C 
ATOM     19  O   LIG    1        4.018   1.625  -0.065  0.00  0.00    -0.454 OA
ATOM     20  C   LIG    1        4.936   0.844  -0.607  0.00  0.00    +0.301 A 
ATOM     21  N   LIG    1        4.670  -0.475  -0.548  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1        5.661  -1.168  -1.129  0.00  0.00    +0.144 A 
ATOM     23  C   LIG    1        6.537  -0.161  -1.535  0.00  0.00    +0.236 A 
ATOM     24  N   LIG    1        6.064   1.109  -1.200  0.00  0.00    -0.171 NA
ATOM     25  C   LIG    1        3.408  -0.728   0.095  0.00  0.00    +0.175 C 
BRANCH  23  26
ATOM     26  N   LIG    1        7.797  -0.331  -2.226  0.00  0.00    +0.077 N 
ATOM     27  O   LIG    1        8.136  -1.497  -2.481  0.00  0.00    -0.125 OA
ATOM     28  O   LIG    1        8.443   0.685  -2.513  0.00  0.00    -0.125 OA
ENDBRANCH  23  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4