REMARK  Name = BDB028740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.373   0.584  -1.022  0.00  0.00    +0.094 C 
ATOM      2  N   LIG    1       -1.550   1.567   0.069  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -2.316   1.405   1.224  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.385   2.311   2.061  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.272   2.242   0.340  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1        0.789   1.202   0.854  0.00  0.00    +0.122 C 
ATOM      7  N   LIG    1        0.320  -0.214   0.652  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -0.389  -0.542  -0.605  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.181   1.466   0.284  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.440   1.479  -1.096  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.732   1.706  -1.579  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        4.779   1.918  -0.687  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        6.369   2.194  -1.284  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        4.547   1.904   0.685  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.256   1.677   1.167  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        1.219  -1.212   1.071  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        1.555  -1.357   2.445  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1        2.582  -2.243   2.786  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.149  -3.044   1.807  0.00  0.00    +0.061 A 
ATOM     20 CL   LIG    1        4.384  -4.169   2.201  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        2.687  -2.922   0.510  0.00  0.00    +0.133 A 
ATOM     22  N   LIG    1        1.736  -2.038   0.128  0.00  0.00    -0.237 NA
BRANCH  17  23
ATOM     23  N   LIG    1        1.018  -0.524   3.454  0.00  0.00    -0.355 N 
ATOM     24  H   LIG    1        0.052  -0.256   3.224  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        1.036  -0.944   4.378  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   7  16
BRANCH   1  26
ATOM     26  C   LIG    1       -2.670   0.136  -1.726  0.00  0.00    +0.027 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -1.681  -0.007  -4.085  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.458  -0.734  -2.986  0.00  0.00    -0.015 C 
ATOM     29  C   LIG    1       -3.816  -1.186  -3.532  0.00  0.00    +0.007 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   3  30
ATOM     30  C   LIG    1       -3.055   0.116   1.470  0.00  0.00    +0.216 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.920  -0.336   2.893  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1       -1.907  -0.327   3.575  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -4.058  -0.882   3.371  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -3.836  -1.136   4.292  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 8