REMARK  Name = BDB027874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.157  -0.728  -0.190  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.240  -1.992  -0.704  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.617  -2.277  -0.755  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.975  -3.526  -1.241  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.127  -4.490  -1.682  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.180  -4.183  -1.646  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.565  -1.403  -0.370  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.188  -0.182   0.071  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.663  -2.974  -1.177  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.848   0.184   0.151  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.293   0.724   0.445  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.181   1.651   1.490  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.258   2.474   1.787  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.431   2.444   1.126  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.537   1.541   0.130  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.518   0.677  -0.237  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.521  -0.385  -0.151  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -2.095  -1.183   0.134  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.984   0.829   0.526  0.00  0.00    +0.145 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.989   1.950   1.542  0.00  0.00    +0.052 C 
ATOM     21  C   LIG    1       -3.527   0.899   0.525  0.00  0.00    +0.173 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.046   1.279  -0.875  0.00  0.00    +0.419 C 
ATOM     23  F   LIG    1       -3.584   2.486  -1.270  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -5.402   1.355  -0.852  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -3.726   0.375  -1.822  0.00  0.00    -0.168 F 
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  O   LIG    1       -4.046  -0.380   0.983  0.00  0.00    -0.379 OA
ATOM     27  H   LIG    1       -5.005  -0.386   0.797  0.00  0.00    +0.211 HD
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6