REMARK  Name = BDB018878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.348   0.145   0.466  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.250  -0.113  -0.353  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        1.252  -0.829  -1.670  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -0.172  -0.589  -2.156  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -0.954  -0.100  -1.009  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -2.327  -0.007  -1.149  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1       -2.849  -0.249  -2.246  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -0.051   0.273   0.009  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -0.259   0.944   1.204  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.836   1.213   2.035  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.127   0.817   1.671  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.874   2.054  -0.124  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        4.745   0.578  -0.143  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.684  -0.273   0.102  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        4.210  -1.567  -0.102  0.00  0.00    +0.143 A 
ATOM     16  N   LIG    1        5.500  -1.546  -0.444  0.00  0.00    -0.181 NA
ATOM     17  N   LIG    1        5.801  -0.237  -0.458  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        6.750   0.032  -0.698  0.00  0.00    +0.189 HD
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -3.209   0.363   0.052  0.00  0.00    +0.173 C 
ATOM     20  N   LIG    1       -4.668   0.480  -0.296  0.00  0.00    -0.255 N 
ATOM     21  C   LIG    1       -5.310  -0.844  -0.036  0.00  0.00    +0.154 C 
ATOM     22  C   LIG    1       -4.240  -1.705   0.628  0.00  0.00    +0.186 C 
ATOM     23  F   LIG    1       -3.650  -2.504  -0.301  0.00  0.00    -0.244 F 
ATOM     24  C   LIG    1       -3.210  -0.716   1.135  0.00  0.00    +0.071 C 
BRANCH  20  25
ATOM     25  C   LIG    1       -5.165   1.399  -1.134  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1       -5.609   2.218  -1.821  0.00  0.00    -0.174 NA
ENDBRANCH  20  25
ENDBRANCH   6  19
TORSDOF 3