REMARK  Name = BDB015740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.022  -0.128  -0.549  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.547  -1.366  -0.715  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -0.782  -1.517  -0.630  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.667  -0.527  -0.435  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.160   0.707  -0.270  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.197   0.956  -0.333  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.161   1.784  -0.066  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.920   2.785   0.803  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.834   3.805   1.032  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.490   4.844   1.990  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.071   3.857   0.392  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.913   4.736   0.551  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.357   2.741  -0.544  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.451   1.776  -0.742  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.408   0.010  -0.664  0.00  0.00    -0.323 N 
ATOM     16  H   LIG    1        2.746  -0.942  -0.826  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.053   0.555   0.535  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     18  C   LIG    1        7.327  -1.141   2.205  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1        6.593  -0.309   1.196  0.00  0.00    +0.039 A 
ATOM     20  N   LIG    1        5.244  -0.246   1.306  0.00  0.00    -0.255 NA
ATOM     21  C   LIG    1        4.562   0.499   0.399  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        5.202   1.194  -0.625  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        6.587   1.121  -0.723  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.295   0.360   0.200  0.00  0.00    +0.023 A 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -1.236  -2.813  -0.843  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.529  -3.071  -0.453  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -2.868  -3.095   0.902  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.940  -2.846   1.838  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -4.167  -3.386   1.304  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.136  -3.669   0.343  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.799  -3.667  -1.015  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.489  -3.381  -1.429  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -3.137  -3.375  -2.888  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6