REMARK  Name = BDB027757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.455  -0.479  -0.267  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        1.758  -1.676  -0.793  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        0.739  -2.496  -1.076  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.590  -2.168  -0.810  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.611  -3.091  -1.143  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.265  -4.301  -1.715  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.006  -4.652  -1.972  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.801  -0.906  -0.224  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        0.960  -3.740  -1.649  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.208  -0.058   0.012  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.584   2.532  -0.828  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        2.664   1.759  -0.133  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        2.594   0.374   0.117  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.693  -0.221   0.766  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.770   0.557   1.155  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        4.840   1.883   0.949  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        3.790   2.449   0.318  0.00  0.00    +0.114 A 
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -2.111  -0.548   0.137  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1       -2.441  -1.263   0.787  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.441   0.817   0.661  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -3.960   0.742   0.973  0.00  0.00    +0.040 C 
ATOM     22  C   LIG    1       -2.263   1.872  -0.437  0.00  0.00    +0.040 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -1.731   1.240   1.983  0.00  0.00    +0.410 C 
ATOM     24  F   LIG    1       -2.347   2.324   2.527  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -1.811   0.246   2.905  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1       -0.435   1.575   1.848  0.00  0.00    -0.168 F 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 4