REMARK  Name = BDB019169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.274   1.152  -0.718  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.930   0.622  -2.114  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.299  -0.220  -1.828  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.013   0.636  -0.779  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.039   1.164   0.054  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.057  -0.164   0.038  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.035   0.710   0.827  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -4.413   0.396   0.850  0.00  0.00    -0.037 A 
ATOM      9  C   LIG    1       -5.311   1.188   1.582  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -4.840   2.266   2.321  0.00  0.00    +0.159 A 
ATOM     11  C   LIG    1       -3.486   2.563   2.336  0.00  0.00    +0.159 A 
ATOM     12  F   LIG    1       -3.030   3.592   3.062  0.00  0.00    -0.202 F 
ATOM     13  F   LIG    1       -5.705   3.010   3.024  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -4.937  -0.767   0.047  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -3.814  -1.744  -0.263  0.00  0.00    +0.165 C 
ATOM     16  C   LIG    1       -2.585   1.793   1.603  0.00  0.00    +0.047 A 
ATOM     17  O   LIG    1       -2.746  -1.035  -0.890  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.453  -1.694   1.133  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.606  -0.784   0.301  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        4.229  -0.600   0.492  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.240  -1.102   1.381  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        2.038  -0.515   1.044  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.258   0.326  -0.022  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.588   0.284  -0.365  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        4.153   0.978  -1.367  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.469   0.731  -1.463  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        6.215  -0.095  -0.703  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        0.563   1.695  -3.000  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        0.001   1.274  -3.684  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -1.064  -0.428  -3.011  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -1.902  -0.840  -2.710  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4