REMARK  Name = BDB033038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.843   0.853   1.219  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.594   0.848   0.706  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.321   0.156   1.739  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.488  -0.630   2.521  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.837  -1.409   3.393  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.933  -0.420   2.062  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.515   1.583   1.579  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.149   1.247   0.459  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1        1.842   0.908   0.161  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.667   0.368  -0.677  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.134   1.145  -0.642  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.781   1.309  -1.974  0.00  0.00    +0.123 A 
ATOM     13  N   LIG    1        4.655   1.213  -3.006  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        5.946   0.968  -2.687  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        6.401   0.814  -1.387  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.478   0.908  -0.348  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -2.769   0.055   1.751  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.291  -0.893   0.688  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -3.941  -0.448  -0.488  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -4.380  -1.402  -1.428  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -4.184  -2.766  -1.217  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.548  -3.202  -0.061  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.107  -2.276   0.882  0.00  0.00    +0.006 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -4.186   1.018  -0.763  0.00  0.00    +0.418 C 
ATOM     25  F   LIG    1       -4.818   1.257  -1.947  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.030   1.738  -0.817  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.955   1.611   0.191  0.00  0.00    -0.166 F 
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5