REMARK  Name = BDB039640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.741  -1.465   1.264  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.119  -0.859   1.115  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.612  -0.525  -0.152  0.00  0.00    +0.153 A 
ATOM      4  F   LIG    1       -1.852  -0.723  -1.241  0.00  0.00    -0.203 F 
ATOM      5  C   LIG    1       -3.888   0.015  -0.307  0.00  0.00    +0.104 A 
ATOM      6  N   LIG    1       -4.369   0.353  -1.585  0.00  0.00    -0.317 N 
ATOM      7  H   LIG    1       -3.780   0.201  -2.396  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -5.616   0.890  -1.819  0.00  0.00    +0.275 A 
ATOM      9  C   LIG    1       -6.422   1.091  -0.646  0.00  0.00    +0.135 A 
ATOM     10  N   LIG    1       -5.957   0.762   0.600  0.00  0.00    -0.225 N 
ATOM     11  N   LIG    1       -6.848   1.017   1.581  0.00  0.00    -0.174 NA
ATOM     12  C   LIG    1       -7.899   1.521   0.930  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -7.698   1.594  -0.467  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.638   2.094  -1.497  0.00  0.00    +0.048 C 
ATOM     15  O   LIG    1       -5.973   1.163  -2.961  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -4.684   0.215   0.823  0.00  0.00    +0.092 A 
ATOM     17  C   LIG    1       -4.227  -0.116   2.098  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -2.946  -0.657   2.238  0.00  0.00    +0.010 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  C   LIG    1        2.598  -0.574   0.882  0.00  0.00    -0.040 C 
ATOM     20  C   LIG    1        2.268  -1.850   1.624  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        1.209  -1.632   2.720  0.00  0.00    +0.089 C 
ATOM     22  N   LIG    1        0.071  -0.798   2.298  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        0.556   0.522   1.863  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        1.798   0.502   1.011  0.00  0.00    -0.007 C 
BRANCH  19  28
ATOM     25  C   LIG    1        6.085  -0.466  -1.518  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1        5.797   0.621  -0.750  0.00  0.00    -0.250 NA
ATOM     27  C   LIG    1        4.669   0.541  -0.001  0.00  0.00    +0.119 A 
ATOM     28  C   LIG    1        3.800  -0.553   0.027  0.00  0.00    -0.004 A 
ATOM     29  C   LIG    1        4.144  -1.647  -0.775  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        5.296  -1.607  -1.562  0.00  0.00    +0.033 A 
BRANCH  25  34
ATOM     31  C   LIG    1        9.187   1.109  -2.994  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        8.040   0.787  -2.191  0.00  0.00    -0.313 N 
ATOM     33  H   LIG    1        7.602   1.496  -1.608  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        7.329  -0.384  -2.350  0.00  0.00    +0.262 C 
ATOM     35  O   LIG    1        7.655  -1.291  -3.107  0.00  0.00    -0.269 OA
ENDBRANCH  25  34
ENDBRANCH  19  28
ENDBRANCH   1  22
TORSDOF 4