REMARK  Name = BDB049828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.474   0.081   1.739  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -2.509   0.126   2.643  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -2.459   0.597   3.536  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -3.576  -0.563   2.129  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.133  -1.018   0.889  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.009  -1.780   0.095  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.301  -2.057   0.585  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.710  -1.580   1.832  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.853  -0.820   2.634  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.847  -0.581   0.660  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        3.766   0.663  -2.092  0.00  0.00    +0.215 C 
ATOM     12  N   LIG    1        2.946   0.616  -0.976  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        2.739   1.727  -0.042  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1        2.104   1.291   1.284  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1        0.861   0.551   1.079  0.00  0.00    -0.292 N 
ATOM     16  C   LIG    1       -0.188   0.721   1.987  0.00  0.00    +0.282 C 
ATOM     17  O   LIG    1       -0.037   1.414   2.997  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        0.827  -0.366  -0.073  0.00  0.00    +0.127 C 
ATOM     19  C   LIG    1        2.208  -0.621  -0.694  0.00  0.00    +0.126 C 
ATOM     20  O   LIG    1        3.939  -0.312  -2.825  0.00  0.00    -0.276 OA
BRANCH  11  22
ATOM     21  C   LIG    1        5.875   1.962  -1.754  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        4.497   1.960  -2.389  0.00  0.00    +0.092 C 
ENDBRANCH  11  22
ENDBRANCH   1  16
BRANCH   6  23
ATOM     23  C   LIG    1       -3.563  -2.302  -1.215  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.425  -2.695  -1.426  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -4.505  -2.326  -2.211  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -4.153  -2.552  -3.133  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -5.343  -1.763  -2.157  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 3