REMARK  Name = BDB061075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.899  -2.561  -0.133  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        2.613  -1.579   0.071  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1        2.542  -0.701   1.331  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1        1.834   0.627   1.016  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1        0.445   0.228   1.253  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.511  -0.829   2.120  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -0.550   0.656   0.406  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1       -0.356   1.290  -0.715  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        0.937   1.566  -1.069  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        2.013   1.305  -0.306  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        3.341   1.839  -0.680  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1        4.518   1.081  -0.863  0.00  0.00    -0.020 A 
ATOM     13  C   LIG    1        5.715   1.769  -1.179  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        5.745   3.150  -1.324  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1        4.598   3.899  -1.151  0.00  0.00    +0.039 A 
ATOM     16  F   LIG    1        6.898   3.759  -1.626  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.674  -0.415  -0.711  0.00  0.00    +0.140 C 
ATOM     18  C   LIG    1        3.409   3.248  -0.827  0.00  0.00    +0.011 A 
ATOM     19  N   LIG    1        1.669  -1.379   2.366  0.00  0.00    -0.261 NA
ATOM     20  N   LIG    1        3.494  -1.211  -0.910  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        3.476  -1.845  -1.700  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  22
ATOM     22  N   LIG    1       -1.811   0.307   0.808  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -1.958   0.324   1.809  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.988   0.703   0.057  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.170  -0.099   0.521  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.222  -1.486   0.398  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.199  -2.438  -0.103  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.064  -3.693  -0.215  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.207  -3.560   0.662  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.323  -2.206   0.841  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.415  -1.596   1.423  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.394  -0.206   1.546  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.284   0.524   1.096  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.300   1.857   1.240  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 3