REMARK  Name = BDB027745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704  -0.749   0.084  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.199  -2.036   0.348  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.181  -2.114   0.547  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.691  -3.375   0.818  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.973  -4.526   0.899  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.349  -4.420   0.686  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.987  -1.046   0.479  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.412   0.124   0.198  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1       -0.975  -3.218   0.411  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.099   0.315  -0.006  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.286   1.277   0.113  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.709   1.372   0.193  0.00  0.00    +0.176 A 
ATOM     13  N   LIG    1        4.113   2.657   0.068  0.00  0.00    -0.169 NA
ATOM     14  N   LIG    1        2.978   3.352  -0.082  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.041   4.360  -0.189  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1        1.861   2.578  -0.068  0.00  0.00    +0.117 A 
BRANCH  12  17
ATOM     17  C   LIG    1        4.679   0.233   0.386  0.00  0.00    +0.437 C 
ATOM     18  F   LIG    1        4.572  -0.709  -0.592  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        5.981   0.638   0.368  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        4.503  -0.404   1.576  0.00  0.00    -0.164 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -2.084  -0.586  -0.117  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1       -2.558  -0.979   0.697  0.00  0.00    +0.148 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -4.176   0.459  -0.681  0.00  0.00    +0.040 C 
ATOM     24  C   LIG    1       -2.669   0.753  -0.456  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -2.117   1.296  -1.784  0.00  0.00    +0.040 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -2.576   1.823   0.672  0.00  0.00    +0.410 C 
ATOM     27  F   LIG    1       -3.023   1.309   1.847  0.00  0.00    -0.168 F 
ATOM     28  F   LIG    1       -3.361   2.893   0.388  0.00  0.00    -0.168 F 
ATOM     29  F   LIG    1       -1.337   2.305   0.887  0.00  0.00    -0.168 F 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5