REMARK  Name = BDB011650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.981   0.480   0.890  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1       -1.084  -0.868   1.500  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.229  -1.631   1.657  0.00  0.00    +0.169 A 
ATOM      4  O   LIG    1       -1.914  -2.759   2.349  0.00  0.00    -0.356 OA
ATOM      5  N   LIG    1       -0.568  -2.792   2.613  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1       -0.047  -1.673   2.083  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.675  -1.497   1.297  0.00  0.00    +0.187 C 
ATOM      8  O   LIG    1       -3.829  -0.248   0.610  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -5.016  -0.179  -0.187  0.00  0.00    +0.125 C 
ATOM     10  C   LIG    1       -4.862  -1.127  -1.388  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -4.083  -2.395  -1.031  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -4.173  -2.690   0.460  0.00  0.00    +0.040 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.315   1.306  -0.558  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -4.147   1.968  -1.310  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -6.585   1.402  -1.423  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -5.549   2.105   0.743  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        1.405  -1.432   2.167  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        1.919  -0.789   1.060  0.00  0.00    -0.274 N 
ATOM     19  H   LIG    1        1.311  -0.730   0.246  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.071  -1.821   3.122  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.199  -0.379   0.795  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.522   0.062  -0.597  0.00  0.00    +0.289 A 
ATOM     23  O   LIG    1        2.710  -0.011  -1.510  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1        4.854   0.485  -0.619  0.00  0.00    -0.245 N 
ATOM     25  N   LIG    1        5.405   0.202   0.673  0.00  0.00    -0.287 N 
ATOM     26  C   LIG    1        6.368   1.190   1.165  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1        4.345  -0.254   1.485  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        4.550  -0.493   2.949  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1        5.739   0.165  -1.765  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        5.121   0.380  -3.178  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        6.508   0.873  -3.631  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        6.753   1.273  -2.163  0.00  0.00    +0.027 C 
ENDBRANCH  24  29
ENDBRANCH  18  21
ENDBRANCH   6  17
TORSDOF 5