REMARK  Name = BDB028734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.845  -1.052  -0.501  0.00  0.00    +0.096 C 
ATOM      2  N   LIG    1        1.971   0.135   0.388  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        3.159   0.324   1.098  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        4.138  -0.403   0.928  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1        0.715   0.838   0.732  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1       -0.415   0.627  -0.308  0.00  0.00    +0.122 C 
ATOM      7  N   LIG    1       -0.692  -0.824  -0.551  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1        0.464  -1.724  -0.269  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.666   1.493  -0.136  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.500   1.712  -1.249  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.657   2.488  -1.140  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.996   3.051   0.086  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.421   4.004   0.226  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.191   2.842   1.202  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.033   2.065   1.093  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -1.789  -1.309   0.222  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1       -2.847  -1.946  -0.479  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1       -3.953  -2.380   0.249  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -3.949  -2.244   1.631  0.00  0.00    +0.061 A 
ATOM     20 CL   LIG    1       -5.284  -2.785   2.565  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1       -2.850  -1.657   2.240  0.00  0.00    +0.133 A 
ATOM     22  N   LIG    1       -1.769  -1.188   1.570  0.00  0.00    -0.237 NA
BRANCH  17  23
ATOM     23  N   LIG    1       -2.878  -1.958  -1.891  0.00  0.00    -0.355 N 
ATOM     24  H   LIG    1       -3.329  -2.773  -2.289  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -1.938  -1.788  -2.252  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   7  16
BRANCH   1  27
ATOM     26  C   LIG    1        3.576  -0.163  -2.177  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.158  -0.718  -1.995  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        1.990  -1.939  -2.907  0.00  0.00    +0.009 C 
ENDBRANCH   1  27
BRANCH   3  29
ATOM     29  C   LIG    1        3.197   1.483   2.061  0.00  0.00    +0.216 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.453   1.539   2.869  0.00  0.00    +0.314 C 
ATOM     31  O   LIG    1        4.665   0.950   3.916  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.387   2.355   2.341  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        6.160   2.244   2.934  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7