REMARK  Name = BDB039569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.905   0.734  -0.460  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.413   0.846  -1.844  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.259  -0.143  -2.122  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.895  -0.001  -1.206  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.462   0.359   0.166  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.017   0.057   0.498  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.983   0.366   0.257  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.379  -0.643  -0.415  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -4.045  -0.543  -0.661  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -3.468  -1.710  -1.407  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.269   0.557  -0.251  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.939   1.571   0.449  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.305   1.488   0.706  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.290   0.461   2.108  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.920   0.685   1.722  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.245   0.848   2.457  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.456   0.213   0.500  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.189  -0.314  -0.330  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.730  -1.210  -1.245  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.105  -1.009  -0.636  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.895   0.092  -1.008  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        5.165   0.258  -0.458  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1        5.946   1.381  -0.835  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1        5.576   2.051  -1.494  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        7.221   1.653  -0.355  0.00  0.00    +0.260 A 
ATOM     26  C   LIG    1        7.734   0.688   0.590  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1        6.997  -0.412   0.973  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        7.772  -1.096   1.858  0.00  0.00    -0.276 N 
ATOM     29  H   LIG    1        7.563  -1.958   2.350  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        8.968  -0.511   2.077  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1        8.938   0.579   1.298  0.00  0.00    +0.148 A 
ATOM     32  O   LIG    1        7.848   2.643  -0.717  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1        5.667  -0.685   0.468  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        4.894  -1.785   0.832  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1        3.619  -1.945   0.278  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4