REMARK  Name = BDB051882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.258   1.462  -0.440  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.164   2.353  -0.844  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        1.048   0.894  -0.976  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.213  -0.171  -0.712  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -1.093   0.155  -0.402  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1       -2.416   2.117  -0.191  0.00  0.00    -0.264 N 
ATOM      7  H   LIG    1       -2.396   3.128  -0.258  0.00  0.00    +0.157 HD
BRANCH   6  13
ATOM      8  C   LIG    1       -7.191  -1.023   1.163  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -5.827  -1.164   0.838  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -5.106   0.007   0.594  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -5.661   1.280   0.663  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -4.725   2.245   0.378  0.00  0.00    -0.214 NA
ATOM     13  C   LIG    1       -3.612   1.592   0.136  0.00  0.00    +0.200 A 
ATOM     14  C   LIG    1       -7.016   1.415   0.996  0.00  0.00    +0.030 A 
ATOM     15  N   LIG    1       -3.799   0.237   0.257  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -3.065  -0.444   0.111  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -7.768   0.258   1.246  0.00  0.00    +0.014 A 
BRANCH   8  19
ATOM     18  F   LIG    1       -7.591  -3.363   0.809  0.00  0.00    -0.166 F 
ATOM     19  C   LIG    1       -8.025  -2.248   1.461  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -9.334  -2.102   1.112  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -8.024  -2.565   2.785  0.00  0.00    -0.166 F 
ENDBRANCH   8  19
ENDBRANCH   6  13
ENDBRANCH   1   6
BRANCH   3  22
ATOM     22  C   LIG    1        2.501   0.884  -1.333  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.387   0.915  -0.081  0.00  0.00    +0.108 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.802   0.872  -0.432  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1        5.399   1.493   0.107  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.378  -0.391  -0.576  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1        6.759  -0.599  -0.438  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        7.277  -1.880  -0.604  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1        8.691  -1.917  -0.429  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        9.218  -0.680  -0.136  0.00  0.00    +0.048 A 
ATOM     31  N   LIG    1        6.502  -2.951  -0.898  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        5.204  -2.663  -1.015  0.00  0.00    +0.223 A 
ATOM     33  S   LIG    1        8.011   0.527  -0.070  0.00  0.00    -0.092 S 
ATOM     34  N   LIG    1        4.613  -1.466  -0.869  0.00  0.00    -0.220 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7