REMARK  Name = BDB049849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070  -0.421  -0.400  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -0.931  -1.574  -0.812  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.299  -1.481  -0.569  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.163  -2.526  -0.928  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.657  -3.674  -1.533  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.291  -3.777  -1.778  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.847  -0.277   0.072  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -4.052  -0.189   0.287  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.937   0.717   0.395  0.00  0.00    -0.219 N 
ATOM     10  C   LIG    1       -0.428  -2.735  -1.420  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.592   0.635   0.172  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.304  -0.475  -0.627  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        1.657  -1.295  -1.102  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        5.410   2.264   0.086  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        4.034   1.714   0.038  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        3.016   2.405   0.566  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        1.949   1.615   0.350  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        1.030   1.908   0.665  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.246   0.451  -0.308  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.603   0.486  -0.520  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -2.412   1.916   1.088  0.00  0.00    +0.260 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.510   1.751   2.596  0.00  0.00    +0.409 C 
ATOM     23  F   LIG    1       -1.293   1.556   3.157  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -3.026   2.874   3.157  0.00  0.00    -0.169 F 
ATOM     25  F   LIG    1       -3.300   0.721   2.965  0.00  0.00    -0.169 F 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4