REMARK  Name = BDB019171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.139   0.188  -1.205  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.442   1.393  -0.573  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.954   1.261  -1.159  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.174  -0.249  -1.217  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.141  -0.855  -1.329  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.918  -0.862   0.006  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        3.427  -0.629  -0.001  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1        4.097  -0.166   1.149  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        5.490   0.011   1.129  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        6.223  -0.270  -0.020  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.575  -0.751  -1.152  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.330   0.096   2.419  0.00  0.00    +0.297 C 
ATOM     13  F   LIG    1        3.343  -0.978   3.257  0.00  0.00    -0.198 F 
ATOM     14  F   LIG    1        3.850   1.133   3.140  0.00  0.00    -0.198 F 
ATOM     15  C   LIG    1        1.885   0.444   2.070  0.00  0.00    +0.241 C 
ATOM     16  C   LIG    1        4.191  -0.940  -1.140  0.00  0.00    +0.007 A 
ATOM     17  O   LIG    1        1.243  -0.520   1.230  0.00  0.00    -0.363 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1       -6.718  -1.004   1.199  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1       -5.734  -0.395   0.250  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -4.349  -0.613   0.308  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -3.465  -1.360   1.133  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -2.185  -1.158   0.663  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1       -2.257  -0.310  -0.418  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1       -3.570   0.026  -0.648  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1       -4.012   0.834  -1.628  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1       -5.346   0.979  -1.589  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1       -6.219   0.421  -0.726  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1       -1.008   2.658  -0.908  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1       -0.777   2.810  -1.848  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        0.912   1.809  -2.495  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        1.821   1.794  -2.849  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4