REMARK  Name = BDB005218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.400   1.693  -1.423  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.812   1.838  -0.024  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1       -1.930   0.737   0.325  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -2.364   0.038   1.441  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1       -1.808  -0.912   1.961  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -3.615   0.664   1.909  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -4.457   0.382   2.979  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -5.565   1.240   3.153  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.810   2.324   2.294  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.955   2.584   1.229  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.864   1.746   1.044  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -0.645   0.524  -0.348  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1        0.546   0.756   0.583  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.868   0.621  -0.183  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.832  -0.384  -1.256  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        0.851  -1.439  -0.997  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.565  -0.856  -1.019  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.143  -0.892  -1.694  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        4.061   0.252  -2.176  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        5.381  -0.281  -2.728  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        6.083  -1.172  -1.718  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        6.484  -0.419  -0.662  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        7.206  -1.687  -2.274  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        5.201  -2.302  -1.220  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        3.874  -1.782  -0.666  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  26
ATOM     26  C   LIG    1       -4.332  -0.724   3.971  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -5.035  -0.743   4.978  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -3.448  -1.735   3.761  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -2.701  -1.687   3.069  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -3.327  -2.404   4.509  0.00  0.00    +0.145 HD
ENDBRANCH   7  26
TORSDOF 3