REMARK  Name = BDB016227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.767   0.955  -0.013  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.606   0.713  -0.280  0.00  0.00    +0.153 A 
ATOM      3  O   LIG    1       -0.933  -0.599  -0.500  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.211  -1.008  -0.021  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.218  -0.704  -1.104  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -3.718   0.701  -0.978  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -2.893   1.722  -0.638  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -3.401   2.600  -0.630  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -4.899   0.966  -1.226  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.116  -2.513   0.221  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -1.519   1.785  -0.328  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -1.050   3.084  -0.062  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        0.288   3.328   0.227  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.189   2.270   0.245  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        4.932  -0.934   1.476  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        3.680  -0.980   0.696  0.00  0.00    +0.103 A 
ATOM     17  O   LIG    1        2.871   0.110   0.793  0.00  0.00    -0.460 OA
ATOM     18  C   LIG    1        1.769  -0.118   0.011  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1        1.892  -1.359  -0.586  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        3.118  -1.913  -0.145  0.00  0.00    +0.045 A 
ENDBRANCH   1  18
TORSDOF 1