REMARK  Name = BDB041265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.369  -1.323  -0.510  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.033  -0.215  -1.421  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.465   0.028  -1.227  0.00  0.00    +0.222 C 
ATOM      4  F   LIG    1       -1.658   1.191  -0.546  0.00  0.00    -0.240 F 
ATOM      5  C   LIG    1       -1.970  -1.142  -0.380  0.00  0.00    +0.222 C 
ATOM      6  C   LIG    1       -0.834  -2.160  -0.494  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.562  -2.072  -0.913  0.00  0.00    +0.121 C 
BRANCH   7  17
ATOM      8  C   LIG    1        6.799   1.520   0.547  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.907   1.477   1.754  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1        6.197   2.058   2.795  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1        4.745   0.757   1.646  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        4.155   0.738   2.467  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        4.363   0.091   0.477  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.180   0.139  -0.650  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        4.887  -0.474  -1.817  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        3.723  -1.163  -1.855  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        2.831  -1.267  -0.786  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.175  -0.625   0.411  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        6.429   0.890  -0.583  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1        9.156   1.568   1.417  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        8.069   2.317   0.658  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   5  22
ATOM     22  O   LIG    1       -3.162  -1.728  -0.908  0.00  0.00    -0.483 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.358  -1.135  -0.631  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -5.485  -1.783  -1.131  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1       -6.758  -1.353  -0.969  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1       -6.926  -0.204  -0.272  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -5.865   0.520   0.264  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -4.564   0.042   0.080  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.338   0.273  -0.102  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.641   0.833   1.132  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -8.015   0.651   1.905  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1      -10.001   1.196   1.443  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -9.163   0.154  -1.001  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6