REMARK  Name = BDB060050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.786   0.076  -0.135  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        3.046   0.211  -1.311  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.647   0.176  -1.274  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        0.978   0.004  -0.062  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.711  -0.132   1.116  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        3.109  -0.096   1.079  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        6.063   0.256  -1.143  0.00  0.00    +0.325 C 
ATOM      8  N   LIG    1        5.190   0.101  -0.090  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        5.634  -0.007   0.820  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.847   0.406  -2.338  0.00  0.00    -0.263 OA
BRANCH   7  12
ATOM     11  O   LIG    1        7.867   0.088   0.461  0.00  0.00    -0.240 OA
ATOM     12  C   LIG    1        7.537   0.232  -0.701  0.00  0.00    +0.393 C 
BRANCH  12  13
ATOM     13  O   LIG    1        8.361   0.386  -1.753  0.00  0.00    -0.474 OA
ATOM     14  H   LIG    1        7.814   0.479  -2.570  0.00  0.00    +0.296 HD
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  C   LIG    1       -0.451  -0.032  -0.028  0.00  0.00    -0.061 C 
ATOM     16  C   LIG    1       -1.651  -0.062   0.001  0.00  0.00    -0.061 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.080  -0.099   0.035  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.753  -1.312  -0.126  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -5.150  -1.348  -0.092  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -5.890  -0.170   0.096  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1       -5.203   1.042   0.265  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -3.806   1.077   0.231  0.00  0.00    +0.017 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.398  -0.213   0.155  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -7.983   0.941  -0.273  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -7.935  -1.205  -0.609  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -7.860  -0.421   1.418  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   4  15
TORSDOF 6