REMARK  Name = BDB057060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.337   0.467   0.772  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.667   1.615   0.028  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.931   2.105   0.273  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.255   1.975   1.219  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.129   2.136  -0.750  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.664  -0.966   0.549  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.955  -0.851  -0.739  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.432  -0.717  -0.600  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.083   0.033   0.691  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.616  -0.748   1.910  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.839  -1.611   1.567  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.969  -1.629   0.409  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.284   0.526   0.036  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        5.968  -0.872  -0.477  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.620   3.076  -0.483  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.750   3.666   0.098  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.503   4.631  -0.597  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -4.121   4.981  -1.898  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.005   4.388  -2.486  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.261   3.438  -1.782  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.725   5.245   0.038  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -6.002   6.496  -0.423  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -5.617   5.363   1.391  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -6.847   4.506  -0.182  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -1.364  -0.466   1.263  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.616  -1.643   0.348  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1       -1.367  -2.955   0.784  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -1.602  -4.060  -0.056  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1       -2.089  -3.834  -1.351  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -2.345  -2.537  -1.778  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -2.817  -2.335  -3.015  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -2.119  -1.447  -0.946  0.00  0.00    +0.043 A 
BRANCH  28  33
ATOM     33  C   LIG    1       -1.295  -5.458   0.417  0.00  0.00    +0.418 C 
ATOM     34  F   LIG    1       -1.580  -5.641   1.737  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -1.990  -6.420  -0.250  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        0.021  -5.773   0.272  0.00  0.00    -0.166 F 
ENDBRANCH  28  33
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8