REMARK  Name = BDB009249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.196  -0.663  -1.041  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.917  -1.278  -0.451  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.015  -1.670  -1.232  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.970  -1.457  -2.617  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.869  -0.832  -3.206  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.211  -0.428  -2.421  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.123   0.045   1.005  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.327  -0.250  -0.166  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.579  -0.256  -0.750  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.688  -0.802  -1.595  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.769  -0.052   0.058  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.928   0.484  -0.781  0.00  0.00    +0.055 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.193   0.640   0.030  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        7.101  -0.412   0.235  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1        6.848  -1.980  -0.448  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        8.248  -0.221   1.010  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        8.502   1.020   1.594  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        7.608   2.070   1.406  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.461   1.882   0.632  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.210  -2.359  -0.612  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.715  -1.708   0.672  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.394  -0.375   0.613  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.625   0.320  -0.700  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.626   1.476  -0.605  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.357   2.333   0.627  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.452   1.499   1.906  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.787   0.155   1.784  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.569  -0.590   3.050  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.935  -0.145   4.133  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.947  -1.803   2.930  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.779  -2.323   3.784  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.516  -2.370   1.773  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6