REMARK  Name = BDB023083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301   0.939   0.527  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.406   1.177  -0.806  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -1.873   1.278  -0.381  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -2.066   0.224   0.721  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.647   0.027   1.319  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.369   0.214   0.249  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        5.251   0.825   0.492  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.898   0.294   0.291  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.351  -0.922  -0.193  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.973  -0.812  -0.153  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        1.649   0.425   0.359  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1        2.816   1.088   0.608  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        2.973   2.336   1.084  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        2.212   2.955   1.338  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        4.264   2.773   1.251  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        5.351   2.119   0.992  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        7.508  -1.635  -0.463  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        6.215  -1.083  -0.253  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.002   2.404  -1.420  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        0.914   2.264  -1.741  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.104   2.576   0.187  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.656   3.197  -0.426  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.631  -1.113   0.198  0.00  0.00    +0.150 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.121  -1.181  -0.106  0.00  0.00    -0.019 A 
ATOM     25  C   LIG    1       -4.693  -2.444  -0.362  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -6.054  -2.577  -0.649  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -6.865  -1.448  -0.679  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -8.541  -1.605  -1.032  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -6.325  -0.191  -0.421  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.962  -0.059  -0.134  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1       -1.877  -1.511  -0.950  0.00  0.00    -0.387 OA
ATOM     32  H   LIG    1       -2.496  -1.840  -1.626  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 7