REMARK  Name = BDB049671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.138  -1.759  -0.964  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.245  -0.912  -1.045  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.006   0.414  -0.771  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -1.042   0.691  -0.753  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.353  -1.351  -1.345  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.963   1.457  -0.643  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -2.547   2.792  -0.494  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -1.099   3.183  -0.469  0.00  0.00    +0.067 C 
ATOM      9  N   LIG    1       -3.413   3.835  -0.360  0.00  0.00    -0.246 NA
ATOM     10  C   LIG    1       -4.751   3.584  -0.370  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1       -5.239   2.288  -0.493  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -4.340   1.228  -0.629  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.735   4.734  -0.201  0.00  0.00    +0.434 C 
ATOM     14  F   LIG    1       -6.826   4.616  -1.017  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -6.238   4.810   1.066  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -5.212   5.964  -0.470  0.00  0.00    -0.164 F 
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.482   0.273   0.315  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        1.799   0.565  -0.938  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.023  -0.594  -1.564  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.243  -1.429  -0.538  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.357  -0.900   0.894  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.836  -0.688   1.211  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.947   0.149   0.278  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.436  -0.927  -0.701  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.643   1.496  -0.027  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.051   3.880   0.688  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.279   2.600   0.971  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.387  -3.181  -1.249  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.437  -4.024   0.006  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.491  -3.874   0.919  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.535  -4.642   2.084  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.529  -5.569   2.347  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.479  -5.731   1.445  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.433  -4.964   0.280  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8