REMARK  Name = BDB007091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.534   0.310  -1.256  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.961  -0.844  -1.813  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.436  -0.902  -1.999  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -1.310  -1.890  -2.528  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.590  -1.391  -2.472  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -2.532  -0.138  -1.912  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1       -1.220   0.195  -1.631  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.656   1.362  -1.092  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.731   1.401  -0.915  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        3.547   1.520  -1.045  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.003   0.421  -1.036  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1        3.672  -0.760  -0.793  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        3.136  -1.581  -0.553  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.067  -0.767  -0.411  0.00  0.00    +0.147 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.146  -0.822   1.082  0.00  0.00    +0.007 A 
ATOM     16  S   LIG    1        5.370  -2.318   1.888  0.00  0.00    -0.100 S 
ATOM     17  C   LIG    1        5.349  -1.566   3.424  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        5.171  -0.204   3.331  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        5.053   0.226   1.978  0.00  0.00    +0.013 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -3.695   0.721  -1.700  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.139   0.723  -0.261  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -4.102   1.908   0.485  0.00  0.00    +0.131 A 
ATOM     23  F   LIG    1       -3.666   3.040  -0.086  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.509   1.947   1.813  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -4.966   0.781   2.408  0.00  0.00    +0.126 A 
ATOM     26  F   LIG    1       -5.362   0.804   3.687  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -5.023  -0.413   1.697  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -4.613  -0.444   0.362  0.00  0.00    +0.011 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5