REMARK  Name = BDB064951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -0.030  -1.165  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.350  -0.154  -0.331  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.637   0.259  -0.723  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        1.802   0.812  -1.998  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.709   0.961  -2.846  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.557   0.548  -2.431  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.787   0.101   0.192  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.048  -1.192   0.922  0.00  0.00    +0.256 A 
ATOM      9  O   LIG    1        2.333  -2.182   0.809  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        4.150  -1.207   1.747  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1        4.318  -2.086   2.224  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        4.988  -0.142   1.944  0.00  0.00    +0.098 A 
ATOM     13  C   LIG    1        4.771   1.025   1.319  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.626   1.132   0.422  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.647   2.233   1.492  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        6.681   2.011   2.343  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.951   3.288   1.987  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        6.187   2.635   0.314  0.00  0.00    -0.166 F 
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.263  -0.508  -0.733  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -2.450  -1.502   0.469  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -2.375  -2.664  -0.550  0.00  0.00    -0.012 C 
ATOM     22  C   LIG    1       -3.254  -3.866  -0.273  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -2.887  -1.660  -1.611  0.00  0.00    +0.022 C 
BRANCH  19  26
ATOM     24  C   LIG    1       -2.172   1.928   1.359  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1       -3.131   1.766   0.303  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1       -3.212   0.751  -0.611  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1       -4.217   0.995  -1.427  0.00  0.00    -0.134 NA
ATOM     28  N   LIG    1       -4.808   2.173  -1.034  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1       -4.144   2.624   0.003  0.00  0.00    +0.224 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 4