REMARK  Name = BDB057350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.347  -2.741  -2.713  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        0.062  -1.725  -2.182  0.00  0.00    +0.339 C 
ATOM      3  C   LIG    1       -0.759  -0.566  -1.836  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        0.077   0.312  -1.283  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        1.472  -0.218  -1.217  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1        1.349  -1.513  -1.808  0.00  0.00    -0.425 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.224   1.601  -0.777  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.772   1.931   0.497  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -0.898   3.321   0.534  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -1.410   4.005   1.645  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.803   3.240   2.746  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -1.690   1.852   2.744  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -2.445   4.034   4.134  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -0.440   3.806  -0.671  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -0.409   4.785  -0.923  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -1.173   1.186   1.627  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.032   2.773  -1.472  0.00  0.00    +0.092 A 
ENDBRANCH   4   7
BRANCH   5  18
ATOM     18  O   LIG    1        2.312   0.581  -2.040  0.00  0.00    -0.351 OA
ATOM     19  H   LIG    1        3.201   0.195  -1.960  0.00  0.00    +0.214 HD
ENDBRANCH   5  18
BRANCH   3  20
ATOM     20  C   LIG    1       -2.205  -0.485  -2.168  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.102  -1.024  -1.077  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -3.235  -2.407  -0.877  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.047  -2.900   0.148  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.731  -2.015   0.976  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -5.724  -2.622   2.243  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -4.616  -0.640   0.787  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.805  -0.147  -0.238  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
BRANCH   5  28
ATOM     28  C   LIG    1        2.012  -0.339   0.229  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.417  -0.904   0.325  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1        4.511  -0.048   0.518  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.807  -0.563   0.595  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.016  -1.935   0.480  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        7.612  -2.568   0.575  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        4.939  -2.797   0.289  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        3.642  -2.284   0.213  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6