REMARK  Name = BDB004717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.220   0.329  -0.051  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.263   0.621  -1.021  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.451  -0.185   0.381  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.633   0.552   0.154  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.836  -0.026   0.605  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        5.031   0.687   0.369  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        5.023   1.937  -0.279  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.833   2.506  -0.700  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.822  -1.218   1.243  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.640  -1.811   1.439  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.647   1.819  -0.483  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.456  -1.352   1.041  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.380   0.186   0.782  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        7.400   0.833   0.564  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.464  -1.019   1.412  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        5.628  -1.557   1.621  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.368  -1.355   1.711  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.002  -0.452   0.219  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.155   0.553   0.165  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -3.027   0.676  -0.926  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.048   1.633  -0.924  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -4.222   2.495   0.167  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -3.341   2.392   1.252  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -2.324   1.435   1.249  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.308   3.540   0.152  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -5.712   3.918   1.398  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -6.436   3.128  -0.493  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.917   4.684  -0.476  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  18  19
BRANCH  18  29
ATOM     29  C   LIG    1       -1.108  -1.673  -0.764  0.00  0.00    +0.110 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -2.465  -3.143   0.629  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -2.334  -2.504  -0.682  0.00  0.00    -0.306 NA
ATOM     32  C   LIG    1       -2.322  -3.522  -1.734  0.00  0.00    +0.104 C 
ENDBRANCH  29  31
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 7