REMARK  Name = BDB034279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.053   0.080   1.349  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        4.292   0.113   0.639  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        5.250  -0.887   0.932  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        6.456  -0.901   0.244  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        6.779   0.056  -0.729  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        5.847   1.052  -1.017  0.00  0.00    +0.013 A 
ATOM      7  N   LIG    1        5.063  -1.833   1.859  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        3.914  -1.804   2.557  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        4.626   1.083  -0.340  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.908  -0.879   2.353  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        8.095  -0.017  -1.459  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1        8.481   1.177  -1.989  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        9.125  -0.419  -0.664  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        8.061  -0.893  -2.500  0.00  0.00    -0.166 F 
ENDBRANCH   5  11
BRANCH   1  15
ATOM     15  N   LIG    1        2.077   1.064   1.119  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        2.095   1.408   0.164  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        0.723   0.986   1.661  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.145  -0.058   0.952  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.463   0.334  -0.495  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.346  -0.633  -1.146  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -1.373  -1.514  -0.633  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.702  -0.143  -1.394  0.00  0.00    +0.081 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.538   0.010  -0.119  0.00  0.00    +0.015 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.963   0.513  -0.385  0.00  0.00    +0.001 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.843  -0.508  -1.110  0.00  0.00    -0.000 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -8.081   0.189  -0.093  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -7.267  -0.006  -1.363  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 11