REMARK  Name = BDB026847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.387  -1.919   0.771  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.219  -3.163   0.470  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.633  -4.429   0.662  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.339  -5.601   0.382  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.641  -5.529  -0.101  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.236  -4.286  -0.304  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.531  -3.112  -0.024  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.512  -1.608  -0.371  0.00  0.00    -0.300 NA
ATOM      9  H   LIG    1        0.911  -2.480  -0.718  0.00  0.00    +0.123 HD
BRANCH   8  11
ATOM     10  C   LIG    1        2.792  -1.420   0.575  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        1.596  -0.668  -0.022  0.00  0.00    +0.056 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.001   0.089  -1.308  0.00  0.00    +0.053 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.822   1.331  -1.039  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        4.196   1.354  -1.311  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.947   2.503  -1.053  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.327   3.633  -0.523  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        5.255   5.047  -0.207  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        2.962   3.625  -0.249  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.210   2.477  -0.507  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.216  -0.704   1.270  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -1.464  -0.620   2.479  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -1.709   0.340   0.350  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.180   1.650   0.713  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.527   2.320  -0.462  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -3.013   3.633  -0.475  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -3.148   4.288   0.751  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.811   3.652   1.942  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -2.299   1.453  -1.502  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -2.466   1.670  -2.475  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -2.327   2.339   1.937  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -1.813   0.266  -1.029  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7