REMARK  Name = BDB001365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.387   0.497   2.857  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.760  -0.133   2.028  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.020   0.344   0.962  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.367  -0.725   0.212  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.802  -1.962   0.968  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.503  -3.300   0.748  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.055  -4.251   1.613  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.889  -3.862   2.678  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.187  -2.515   2.895  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.632  -1.595   2.026  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.822  -0.793  -1.252  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.192  -0.829  -1.584  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.612  -0.903  -2.914  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.675  -0.954  -3.940  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.317  -0.931  -3.638  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        0.106  -0.854  -2.308  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1       -0.843   1.754   0.667  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.880   2.312  -0.276  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -1.538   2.649  -1.594  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.502   3.153  -2.469  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.814   3.332  -2.036  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.165   3.006  -0.728  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.204   2.498   0.147  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  24
ATOM     24  O   LIG    1        1.054  -0.541   0.260  0.00  0.00    -0.343 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.667  -0.526   1.544  0.00  0.00    +0.198 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.131  -0.168   1.394  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1        3.575   0.694   0.378  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        4.933   1.028   0.283  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1        5.858   0.527   1.207  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1        5.417  -0.314   2.229  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        4.065  -0.656   2.324  0.00  0.00    +0.006 A 
BRANCH  28  32
ATOM     32  N   LIG    1        5.389   1.913  -0.797  0.00  0.00    +0.056 N 
ATOM     33  O   LIG    1        6.588   2.228  -0.817  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1        4.551   2.291  -1.627  0.00  0.00    -0.126 OA
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7