REMARK  Name = BDB060051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.781  -0.110  -0.126  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        3.073   0.846  -0.858  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.673   0.847  -0.855  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        0.971  -0.108  -0.119  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.671  -1.065   0.614  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        3.070  -1.066   0.610  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        6.085   0.647  -0.714  0.00  0.00    +0.325 C 
ATOM      8  N   LIG    1        5.183  -0.175  -0.080  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        5.601  -0.912   0.485  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.902   1.608  -1.452  0.00  0.00    -0.263 OA
BRANCH   7  12
ATOM     11  O   LIG    1        7.845  -0.672   0.294  0.00  0.00    -0.240 OA
ATOM     12  C   LIG    1        7.547   0.264  -0.424  0.00  0.00    +0.393 C 
BRANCH  12  13
ATOM     13  O   LIG    1        8.400   1.087  -1.059  0.00  0.00    -0.474 OA
ATOM     14  H   LIG    1        7.876   1.751  -1.568  0.00  0.00    +0.296 HD
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  C   LIG    1       -0.458  -0.108  -0.116  0.00  0.00    -0.061 C 
ATOM     16  C   LIG    1       -1.659  -0.120  -0.102  0.00  0.00    -0.060 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.092  -0.145  -0.080  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1       -3.810  -1.095   0.657  0.00  0.00    +0.057 A 
ATOM     19 CL   LIG    1       -3.022  -2.315   1.595  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -5.210  -1.081   0.650  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -5.912  -0.114  -0.087  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -5.187   0.829  -0.829  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -3.789   0.815  -0.823  0.00  0.00    +0.019 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -7.422  -0.119  -0.108  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -7.957   1.108  -0.359  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -7.920  -0.949  -1.064  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -7.968  -0.529   1.069  0.00  0.00    -0.166 F 
ENDBRANCH  21  24
ENDBRANCH  16  17
ENDBRANCH   4  15
TORSDOF 6