REMARK  Name = BDB046217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.362  -0.749  -0.339  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        1.844  -0.987  -1.609  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        1.105  -1.343  -2.838  0.00  0.00    +0.069 C 
ATOM      4  N   LIG    1        3.212  -0.840  -1.617  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        3.515  -0.520  -0.374  0.00  0.00    +0.228 A 
ATOM      6  O   LIG    1        2.431  -0.455   0.464  0.00  0.00    -0.437 OA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.823  -0.239   0.213  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.974   0.103   1.565  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        6.241   0.367   2.100  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        7.387   0.287   1.295  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        7.238  -0.046  -0.058  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.971  -0.308  -0.590  0.00  0.00    +0.014 A 
BRANCH  10  13
ATOM     13  C   LIG    1        8.750   0.593   1.867  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.860   0.267   3.185  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        9.061   1.916   1.782  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.758  -0.071   1.235  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.024  -0.770   0.293  0.00  0.00    +0.305 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.864  -0.085  -0.588  0.00  0.00    -0.484 OA
BRANCH  18  24
ATOM     19  C   LIG    1       -5.223   1.550  -1.887  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -4.373   0.822  -0.883  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -4.929   0.298   0.296  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.104  -0.371   1.204  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -2.735  -0.523   0.949  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -2.177  -0.007  -0.217  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -2.999   0.662  -1.125  0.00  0.00    +0.052 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -6.275   0.496   0.456  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.876  -0.022   1.646  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.359   0.306   1.621  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1       -9.143  -0.011   2.504  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.740   0.994   0.517  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -7.958   1.143  -0.059  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9