REMARK  Name = BDB027937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.844  -1.114  -2.064  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -0.312  -0.426  -0.888  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.254  -0.057   0.198  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -2.368  -1.102   0.434  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -2.231  -2.315   0.282  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.569  -0.613   0.901  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.286  -1.303   1.075  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.901   0.686   1.191  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.002   0.969   1.656  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.826   1.721   0.977  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.877   1.302  -0.134  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        1.046  -0.544  -0.586  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        1.681   0.381   0.261  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.050   0.297   0.583  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        3.816  -0.729   0.023  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.220  -1.651  -0.830  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.856  -1.552  -1.129  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1        3.682   1.331   1.479  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        4.109   2.425   0.790  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.770   0.866   2.154  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        2.829   1.801   2.433  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH   2  12
TORSDOF 3