REMARK  Name = BDB015753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.762  -1.252  -0.799  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.370  -0.322  -0.047  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.616   0.721   0.342  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.705   0.853  -0.040  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.232  -0.152  -0.823  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.508  -1.201  -1.223  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.316   1.741   1.163  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.683   2.347   2.187  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.304   3.297   2.986  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.542   3.899   4.069  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.630   3.680   2.797  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.227   4.518   3.467  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.345   2.994   1.691  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.713   2.085   0.939  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.547  -0.109  -1.294  0.00  0.00    -0.323 N 
ATOM     16  H   LIG    1        2.650  -0.966  -1.842  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.559  -0.089  -0.233  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.950  -0.230  -0.822  0.00  0.00    +0.058 A 
ATOM     19  N   LIG    1        5.681  -1.311  -0.449  0.00  0.00    -0.258 NA
ATOM     20  C   LIG    1        6.919  -1.437  -0.978  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        7.474  -0.531  -1.865  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.716   0.572  -2.238  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        5.436   0.728  -1.712  0.00  0.00    +0.025 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -1.490  -2.341  -1.266  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.913  -1.974  -2.715  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.882  -2.464  -1.296  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.667  -2.606  -0.609  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.653  -3.080   0.706  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.490  -3.260   1.349  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -3.839  -3.379   1.365  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.054  -3.217   0.701  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.075  -2.764  -0.622  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6