REMARK  Name = BDB051460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.961  -0.071  -0.186  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.632  -0.471   0.054  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.392  -1.743   0.562  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.027  -1.814   0.676  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.511  -2.617   1.000  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.476  -0.624   0.256  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.402  -2.663   0.851  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.717  -2.253   0.608  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.436   0.199  -0.132  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.996  -0.982   0.100  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.037  -0.339   0.230  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.903  -1.136   0.895  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.270  -0.827   0.842  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.738   0.286   0.128  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -1.792   1.084  -0.531  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -0.427   0.776  -0.480  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.173   0.609   0.077  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1       -4.642   1.881   0.446  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -6.005   2.188   0.400  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.922   1.227  -0.018  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.479  -0.039  -0.389  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.116  -0.345  -0.341  0.00  0.00    +0.008 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        4.266   2.122  -0.976  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        3.302   1.849  -0.795  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.467   3.043  -1.336  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.299   1.268  -0.723  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        6.460   1.600  -0.932  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3