REMARK  Name = BDB036195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.403   1.118   1.198  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.676   1.692   2.036  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.014   0.929   1.916  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.527   1.055   0.535  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.487   0.969  -0.524  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.146   0.419   0.016  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.757   0.476   0.211  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.635   1.056  -0.733  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -5.832   0.498  -1.085  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -6.197  -0.655  -0.483  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -5.415  -1.294   0.464  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.192  -0.718   0.807  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.519  -1.234  -0.886  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -7.533  -2.607  -1.089  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -6.646  -3.075  -1.223  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -8.713  -3.244  -1.618  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.508  -0.524  -1.029  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -4.278   2.378  -1.388  0.00  0.00    +0.391 C 
ATOM     19  F   LIG    1       -5.327   2.995  -2.010  0.00  0.00    -0.202 F 
ATOM     20  F   LIG    1       -3.316   2.254  -2.353  0.00  0.00    -0.202 F 
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.392   2.153   0.866  0.00  0.00    +0.122 C 
BRANCH  21  31
ATOM     22  C   LIG    1        7.204  -0.599   0.066  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        6.846  -0.702   1.552  0.00  0.00    +0.271 A 
ATOM     24  O   LIG    1        7.607  -1.235   2.345  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        5.639  -0.161   1.907  0.00  0.00    -0.317 N 
ATOM     26  H   LIG    1        5.359  -0.207   2.879  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.797   0.439   0.963  0.00  0.00    +0.104 A 
ATOM     28  C   LIG    1        5.198   0.489  -0.376  0.00  0.00    +0.090 A 
ATOM     29  C   LIG    1        4.353   1.094  -1.308  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        3.125   1.637  -0.914  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        2.718   1.582   0.428  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        3.573   0.981   1.357  0.00  0.00    +0.153 A 
ATOM     33  F   LIG    1        3.227   0.934   2.655  0.00  0.00    -0.203 F 
ATOM     34  N   LIG    1        6.421  -0.046  -0.818  0.00  0.00    -0.245 NA
BRANCH  22  36
ATOM     35  C   LIG    1        8.374  -2.696  -0.584  0.00  0.00    +0.010 C 
ATOM     36  C   LIG    1        8.518  -1.201  -0.367  0.00  0.00    +0.057 C 
ENDBRANCH  22  36
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6