REMARK  Name = BDB051088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.074  -0.033  -0.362  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.148  -1.274  -0.987  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.098  -1.542  -1.894  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.217  -2.267  -0.696  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.815  -2.011   0.210  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.934  -0.753   0.819  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.027   0.230   0.534  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.604   2.203  -0.760  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.031   1.055  -0.655  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -3.367   0.740  -0.761  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -4.130  -0.302  -0.059  0.00  0.00    +0.121 C 
ATOM     12  C   LIG    1       -5.311   0.596  -0.234  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -6.478   0.122  -1.039  0.00  0.00    +0.172 C 
ATOM     14  O   LIG    1       -7.345   0.252   0.127  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -6.250   0.819   0.903  0.00  0.00    +0.172 C 
ATOM     16  C   LIG    1       -4.467   1.716  -0.744  0.00  0.00    +0.121 C 
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1        2.055  -0.463   1.792  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.435  -0.800   1.241  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        4.097   0.113   0.273  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        5.351  -0.267  -0.202  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        6.042   0.536  -1.119  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.471   1.726  -1.564  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.218   2.113  -1.093  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.949  -1.525   0.272  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1        7.050  -1.898  -0.117  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        5.203  -2.248   1.170  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1        5.602  -3.118   1.509  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1        3.530   1.312  -0.175  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1        3.977  -1.911   1.649  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3