REMARK  Name = BDB023950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.139  -5.295   2.479  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.951  -4.387   2.670  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.790  -3.346   1.765  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.563  -2.538   1.922  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.698  -1.246   1.198  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.847  -0.111   1.153  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.349   0.831   0.338  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.511   0.318  -0.118  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.742  -0.938   0.351  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.881  -1.841   0.060  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.485  -3.279   0.459  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.175  -4.576   3.607  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.419   0.091   1.852  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.641   0.285   1.148  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.833   0.455   1.875  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        4.043   0.637   1.185  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        4.077   0.660  -0.208  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.948   0.475  -0.917  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.798   0.432   3.280  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.599   0.249   3.965  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.780   0.308  -0.246  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.414   0.080   3.255  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.264   0.813  -0.897  0.00  0.00    -0.309 N 
ATOM     24  C   LIG    1        6.354   1.655  -0.379  0.00  0.00    +0.146 C 
ATOM     25  C   LIG    1        6.985   2.293  -1.623  0.00  0.00    +0.218 C 
ATOM     26  F   LIG    1        6.379   3.496  -1.846  0.00  0.00    -0.241 F 
ATOM     27  C   LIG    1        6.621   1.320  -2.730  0.00  0.00    +0.218 C 
ATOM     28  F   LIG    1        6.710   1.890  -3.951  0.00  0.00    -0.241 F 
ATOM     29  C   LIG    1        5.194   0.943  -2.359  0.00  0.00    +0.146 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.331   1.100  -1.033  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.719   1.138  -2.441  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.150   2.384  -3.201  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.471   2.747  -2.811  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.523   3.261  -1.478  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.604   2.514  -0.516  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3