REMARK  Name = BDB051653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.676  -0.432   2.529  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.615  -0.300   1.933  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.431   0.721   0.864  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.263   0.733   0.079  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.077   1.764  -0.858  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.789   1.819  -1.632  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.346   1.274  -0.764  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.081  -0.106  -0.345  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.962  -1.174  -0.491  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1        0.619  -2.320  -0.196  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.079   2.723  -1.052  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.249   2.681  -0.293  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.252  -0.399   0.221  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.200  -0.803   1.711  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.422   1.689   0.672  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.525  -1.081   2.234  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.640  -1.695   3.031  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.378  -0.884  -1.002  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        3.191  -2.165  -1.246  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        4.001  -2.351   0.027  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        4.415  -0.933   0.370  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        3.189  -0.088   0.037  0.00  0.00    +0.013 C 
ENDBRANCH   9  18
TORSDOF 1