REMARK  Name = BDB035676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.241  -0.080  -0.589  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.575   0.450   0.661  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        0.894   0.989   1.513  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.022   0.268   0.833  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.816   0.617   1.910  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        5.184   0.342   1.821  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        5.712  -0.292   0.672  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.885  -0.642  -0.415  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        3.529  -0.346  -0.307  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        2.417  -0.595  -1.276  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.499   0.322  -1.055  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -1.195   0.342  -0.498  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.056  -0.124  -1.174  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -0.237  -0.643  -2.462  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -1.501  -0.681  -3.050  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.610  -0.202  -2.355  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -3.761   0.876  -0.227  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -5.054   1.299  -1.012  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -5.187   2.507  -0.068  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -3.676   2.390   0.198  0.00  0.00    +0.019 C 
BRANCH  17  23
ATOM     21  C   LIG    1       -4.373  -2.305  -0.195  0.00  0.00    +0.151 C 
ATOM     22  N   LIG    1       -4.358  -1.437   0.948  0.00  0.00    -0.320 N 
ATOM     23  C   LIG    1       -4.104  -0.093   0.990  0.00  0.00    +0.144 A 
ATOM     24  N   LIG    1       -4.215   0.316   2.238  0.00  0.00    -0.134 NA
ATOM     25  N   LIG    1       -4.539  -0.767   3.019  0.00  0.00    -0.138 NA
ATOM     26  C   LIG    1       -4.614  -1.813   2.231  0.00  0.00    +0.224 A 
ENDBRANCH  17  23
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   6  27
ATOM     27  C   LIG    1        6.048   0.702   2.975  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1        5.594   0.816   4.105  0.00  0.00    -0.270 OA
ATOM     29  N   LIG    1        7.371   0.937   2.722  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1        7.715   1.150   1.798  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        7.901   1.305   3.503  0.00  0.00    +0.145 HD
ENDBRANCH   6  27
BRANCH   8  32
ATOM     32  C   LIG    1        5.434  -1.328  -1.638  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1        5.113  -0.667  -2.784  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        6.789  -1.443  -1.636  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        4.943  -2.587  -1.784  0.00  0.00    -0.166 F 
ENDBRANCH   8  32
TORSDOF 5