REMARK  Name = BDB051459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.795   0.308  -0.640  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.498   0.507  -0.127  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.326   1.367   0.953  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.977   1.337   1.202  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.509   1.833   1.944  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.371   0.497   0.296  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.375   2.051   1.571  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.656   1.844   1.051  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.280  -0.024  -0.510  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.867   0.989  -0.034  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.068   0.215   0.268  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.528  -0.943  -0.369  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.894  -1.248  -0.410  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.854  -0.401   0.170  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.381   0.760   0.805  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.012   1.066   0.853  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.291  -0.739   0.110  0.00  0.00    +0.071 A 
ATOM     18  N   LIG    1       -4.586  -2.064   0.144  0.00  0.00    -0.255 NA
ATOM     19  C   LIG    1       -5.887  -2.427   0.094  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -6.934  -1.528   0.006  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -6.628  -0.175  -0.037  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.294   0.227   0.014  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        3.991  -1.222  -2.353  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        3.048  -1.079  -1.996  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.140  -1.836  -3.140  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.060  -0.589  -1.790  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        6.194  -0.757  -2.223  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3