REMARK  Name = BDB022928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.343  -0.257   4.837  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.161  -0.444   3.887  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.499  -0.887   2.519  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.466  -0.180   1.790  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.086   0.761   2.287  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.690  -1.415   1.838  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.781  -0.362   1.794  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.817   0.642   2.755  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.853   1.536   2.623  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.783   1.459   1.652  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.673   0.454   0.776  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.700  -0.467   0.812  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.755   0.796   3.815  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.756  -0.632   0.349  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -2.708   0.360  -0.372  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.187   0.147   0.043  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.626  -1.260   0.005  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.022  -1.367   0.430  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.768  -2.105   0.837  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.323  -2.058   0.341  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.437   0.363  -1.879  0.00  0.00    -0.041 A 
ATOM     22  C   LIG    1       -1.386   1.160  -2.372  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -1.083   1.179  -3.734  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.211   2.158  -4.307  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.816   0.407  -4.630  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.856  -0.390  -4.157  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.161  -0.414  -2.793  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  28
ATOM     28  N   LIG    1        4.630   0.418  -0.219  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.094   1.323  -0.226  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.224  -0.076  -1.533  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        5.478  -0.242  -2.408  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        5.727   0.965  -3.308  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        5.288   2.159  -2.672  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        3.865   2.218  -2.549  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        3.233   0.868  -2.218  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  11  28
TORSDOF 4