REMARK  Name = BDB056616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.597   0.105   0.666  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -1.140   0.290   1.916  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -0.622   0.338   2.779  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.502   0.412   1.799  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.743   0.320   0.430  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.070   0.413  -0.026  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.104   0.597   0.913  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.821   0.685   2.278  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.508   0.596   2.752  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.558   0.114  -0.240  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.573  -0.366  -0.246  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        3.140  -0.405   1.081  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.785  -0.255   1.400  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.835  -0.060   0.391  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        1.280  -0.027  -0.939  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.636  -0.177  -1.258  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        4.920  -0.525  -0.410  0.00  0.00    -0.480 OA
BRANCH  17  18
ATOM     18  C   LIG    1        5.421  -0.491  -1.746  0.00  0.00    +0.317 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.070  -0.828  -1.687  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        6.879  -0.677  -1.713  0.00  0.00    -0.065 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1       -4.376   0.341  -1.467  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -3.730   0.932  -2.320  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -5.456  -0.431  -1.811  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.569  -0.595  -2.804  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.818  -1.130  -1.179  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 5