REMARK  Name = BDB051291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.077   0.530   0.419  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        1.993   0.637  -0.567  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        3.154   0.264  -0.004  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        3.017  -0.086   1.315  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        4.094  -0.498   2.066  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        3.999  -0.753   3.042  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        5.357  -0.575   1.508  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        5.500  -0.193   0.070  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        6.752  -0.250  -0.548  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.878   0.109  -1.894  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.760   0.525  -2.623  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.505   0.586  -2.016  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        6.322  -0.943   2.169  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        4.386   0.225  -0.672  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.692   0.075   1.626  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -1.219   0.460   1.170  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.876  -0.090   1.943  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.344   0.870   0.178  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1       -0.724   1.463  -0.828  0.00  0.00    -0.268 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.653   0.689   1.093  0.00  0.00    +0.109 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -6.792   0.303  -0.374  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -5.347   0.287  -0.211  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -4.914  -0.450   0.972  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1       -3.413  -0.596   0.728  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -3.361  -0.900  -0.772  0.00  0.00    +0.021 C 
ATOM     26  C   LIG    1       -4.655  -0.325  -1.350  0.00  0.00    +0.084 C 
ENDBRANCH  20  24
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 3