REMARK  Name = BDB016396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.469   0.039  -2.029  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -2.538  -0.075  -1.079  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -2.278   0.367   0.234  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.536   1.064   0.241  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.380   0.716   1.116  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.045  -0.558   1.585  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.108  -0.962   0.618  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.868  -1.006  -0.715  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.671  -1.384  -1.203  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.222  -1.311   1.022  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.807   1.480   2.315  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.736  -0.703  -1.501  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.879  -1.089  -2.850  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.853  -0.926  -3.774  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.651  -0.378  -3.361  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.028   0.369  -0.601  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        0.780  -0.164  -0.949  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -0.151   0.600  -1.671  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        0.200   1.906  -2.049  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.448   2.436  -1.718  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.365   1.669  -0.998  0.00  0.00    +0.013 A 
BRANCH  16  24
ATOM     22  N   LIG    1        3.805   0.158   1.050  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1        3.737   1.159   1.165  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        2.974  -0.490   0.159  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        2.971  -1.704  -0.008  0.00  0.00    -0.270 OA
BRANCH  22  27
ATOM     26  C   LIG    1        5.145   0.191   3.096  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        4.825  -0.556   1.805  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        6.084  -0.738   0.960  0.00  0.00    +0.027 C 
ENDBRANCH  22  27
ENDBRANCH  16  24
ENDBRANCH   1  18
TORSDOF 3