REMARK  Name = BDB034572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.180  -1.722   0.309  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.077  -0.837   0.243  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.249  -1.281   0.221  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.501  -2.651   0.271  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.444  -3.557   0.323  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.874  -3.096   0.334  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.712  -1.154   0.309  0.00  0.00    +0.013 C 
ATOM      8  C   LIG    1       -3.765  -1.972   1.147  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -3.445  -1.064   2.351  0.00  0.00    +0.251 C 
ATOM     10  F   LIG    1       -2.486  -1.524   3.188  0.00  0.00    -0.206 F 
ATOM     11  F   LIG    1       -4.497  -0.720   3.126  0.00  0.00    -0.206 F 
ATOM     12  C   LIG    1       -2.984   0.008   1.342  0.00  0.00    +0.087 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -3.089  -0.903  -1.167  0.00  0.00    +0.088 C 
BRANCH  13  16
ATOM     14  C   LIG    1       -3.333   2.110  -1.902  0.00  0.00    +0.151 C 
ATOM     15  N   LIG    1       -4.422   1.187  -1.720  0.00  0.00    -0.320 N 
ATOM     16  C   LIG    1       -4.348  -0.144  -1.394  0.00  0.00    +0.134 A 
ATOM     17  N   LIG    1       -5.573  -0.626  -1.333  0.00  0.00    -0.135 NA
ATOM     18  N   LIG    1       -6.452   0.395  -1.605  0.00  0.00    -0.138 NA
ATOM     19  C   LIG    1       -5.746   1.476  -1.837  0.00  0.00    +0.224 A 
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1        2.358  -0.421   0.152  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1        3.283  -0.846   0.175  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.372   0.958   0.047  0.00  0.00    +0.267 C 
ATOM     23  O   LIG    1        1.405   1.707  -0.034  0.00  0.00    -0.268 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.764   1.524   0.025  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        4.780   0.615   0.081  0.00  0.00    -0.238 NA
ATOM     26  C   LIG    1        6.057   1.099   0.058  0.00  0.00    +0.144 A 
ATOM     27  C   LIG    1        6.324   2.469  -0.011  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1        5.264   3.372  -0.067  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.959   2.896  -0.050  0.00  0.00    +0.033 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.229   0.126   0.126  0.00  0.00    +0.434 C 
ATOM     31  F   LIG    1        6.869  -1.181  -0.016  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        7.903   0.203   1.309  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        8.161   0.362  -0.844  0.00  0.00    -0.164 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   3  20
TORSDOF 6