REMARK  Name = BDB054628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.089  -2.243   2.368  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1       -0.181  -1.266   1.279  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.408  -0.827   0.794  0.00  0.00    +0.078 A 
ATOM      4  N   LIG    1       -1.119   0.108  -0.203  0.00  0.00    -0.230 N 
ATOM      5  N   LIG    1        0.215   0.296  -0.333  0.00  0.00    -0.161 NA
ATOM      6  C   LIG    1        0.793  -0.542   0.541  0.00  0.00    +0.151 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.006   0.760  -1.113  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.753   2.056  -1.604  0.00  0.00    +0.068 A 
ATOM      9 CL   LIG    1       -0.471   3.083  -1.049  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -2.628   2.637  -2.533  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -3.747   1.939  -2.975  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -4.814   2.663  -4.112  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -4.009   0.659  -2.500  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -3.142   0.070  -1.576  0.00  0.00    +0.031 A 
ENDBRANCH   4   7
BRANCH   3  15
ATOM     15  C   LIG    1       -2.746  -1.159   1.286  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.220  -2.477   1.206  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.497  -2.798   1.676  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.300  -1.805   2.232  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -6.872  -2.200   2.807  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.836  -0.494   2.328  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.560  -0.172   1.859  0.00  0.00    +0.011 A 
ENDBRANCH   3  15
BRANCH   6  22
ATOM     22  C   LIG    1        2.268  -0.609   0.654  0.00  0.00    +0.269 C 
ATOM     23  N   LIG    1        2.881   0.310  -0.177  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        2.220   0.871  -0.713  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        2.824  -1.400   1.407  0.00  0.00    -0.268 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.251   0.557  -0.358  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.604   1.561  -1.267  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.944   1.859  -1.497  0.00  0.00    +0.119 A 
ATOM     29  C   LIG    1        6.953   1.171  -0.833  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        6.608   0.170   0.073  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.263  -0.136   0.310  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  O   LIG    1        6.231   2.846  -2.393  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        7.195   2.947  -2.446  0.00  0.00    +0.292 HD
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH   6  22
TORSDOF 5