REMARK  Name = BDB042489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.112  -2.993   0.033  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.225  -2.071   0.219  0.00  0.00    -0.299 NA
ATOM      3  C   LIG    1       -1.200  -1.254   1.435  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -2.507  -0.443   1.613  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1       -2.817   0.398   0.429  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -1.962   0.162  -0.746  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -1.681  -1.342  -0.974  0.00  0.00    +0.103 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.166   0.731   0.285  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.890   0.531  -0.897  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.243   0.884  -1.002  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -6.918   1.464   0.077  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -6.212   1.667   1.267  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -4.862   1.308   1.362  0.00  0.00    +0.023 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -8.377   1.825  -0.027  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -8.754   2.171  -1.290  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.727   2.879   0.764  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -9.193   0.798   0.337  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.317  -2.450   0.186  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.709  -1.406  -0.861  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        4.354   2.877   0.921  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.331   1.844   0.429  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        4.917   0.602  -0.101  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        5.894  -0.314  -0.542  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.466  -1.621  -1.101  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1        4.111  -1.853  -1.147  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        3.846  -2.750  -1.536  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.147  -0.974  -0.715  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        6.274  -2.450  -1.501  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        7.257  -0.018  -0.465  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        7.646   1.203   0.057  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        8.949   1.502   0.137  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.500   0.221  -0.213  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        6.706   2.128   0.500  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6