REMARK  Name = BDB006649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.293  -3.053  -1.739  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.039  -2.974  -0.955  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        0.274  -1.848  -0.631  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.169  -0.386  -0.792  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -1.101  -0.099  -0.032  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -1.652  -1.296   0.524  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -2.655  -1.458   1.197  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.766  -2.318   0.109  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -0.622  -3.648   0.212  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        0.488  -4.088  -0.430  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.656   1.182   0.040  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.120   2.241  -0.600  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -1.660   3.517  -0.537  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -0.996   4.587  -1.267  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -2.813   3.807   0.186  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -3.327   4.920   0.250  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.421   2.654   0.915  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.648   2.940   1.721  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.854   1.438   0.826  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        1.436   0.191  -0.192  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        1.619   0.338   1.192  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.804   0.877   1.700  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.834   1.278   0.847  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        3.667   1.130  -0.529  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        2.480   0.592  -1.042  0.00  0.00    +0.009 A 
BRANCH  23  26
ATOM     26  O   LIG    1        4.929   1.788   1.483  0.00  0.00    -0.406 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.006   2.244   0.683  0.00  0.00    +0.575 C 
ATOM     28  F   LIG    1        6.531   1.236  -0.045  0.00  0.00    -0.133 F 
ATOM     29  F   LIG    1        5.613   3.238  -0.143  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1        6.974   2.728   1.492  0.00  0.00    -0.133 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   4  20
BRANCH   9  31
ATOM     31  C   LIG    1       -1.529  -4.548   0.946  0.00  0.00    +0.108 C 
ATOM     32  C   LIG    1       -2.955  -4.782   0.506  0.00  0.00    +0.029 C 
ATOM     33  C   LIG    1       -1.952  -5.890   0.394  0.00  0.00    +0.029 C 
ENDBRANCH   9  31
TORSDOF 5