REMARK  Name = BDB019168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -0.517   1.427  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.281  -1.470   0.805  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.988  -1.070   1.530  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.821   0.431   1.758  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.610   0.685   1.823  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.434   1.312   0.638  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        2.961   1.312   0.607  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        3.646   1.213  -0.625  0.00  0.00    -0.037 A 
ATOM      9  C   LIG    1        5.050   1.208  -0.657  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        5.771   1.344   0.522  0.00  0.00    +0.159 A 
ATOM     11  C   LIG    1        5.109   1.486   1.732  0.00  0.00    +0.159 A 
ATOM     12  F   LIG    1        5.806   1.641   2.867  0.00  0.00    -0.202 F 
ATOM     13  F   LIG    1        7.111   1.352   0.479  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        2.871   1.076  -1.912  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1        1.444   1.566  -1.727  0.00  0.00    +0.165 C 
ATOM     16  C   LIG    1        3.716   1.475   1.781  0.00  0.00    +0.047 A 
ATOM     17  O   LIG    1        0.866   0.884  -0.617  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1       -5.194  -1.240  -1.380  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -4.190  -0.458  -0.794  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -3.806   0.910  -0.817  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -2.699   1.049  -0.006  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1       -2.393  -0.187   0.510  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1       -3.290  -1.114   0.033  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1       -3.279  -2.430   0.318  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -4.292  -3.071  -0.296  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1       -5.232  -2.559  -1.111  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1       -6.174  -0.731  -2.220  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -6.416   0.236  -2.052  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -6.948  -1.381  -2.298  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1       -0.555  -2.858   1.034  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -1.484  -3.002   0.749  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1        1.025  -1.744   2.801  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1        0.720  -2.656   2.610  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5