REMARK  Name = BDB046110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.203   0.051  -0.223  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.043  -0.001   0.913  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1       -2.439   0.113   0.769  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.018   0.280  -0.493  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -2.185   0.325  -1.614  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.796   0.213  -1.480  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.467   0.391  -0.625  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -5.058   1.330  -1.450  0.00  0.00    +0.053 A 
ATOM      9  S   LIG    1       -6.768   1.258  -1.414  0.00  0.00    -0.104 S 
ATOM     10  C   LIG    1       -6.744  -0.025  -0.286  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.459  -0.389   0.054  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     12  O   LIG    1        2.034   0.219  -2.226  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.182  -0.013  -1.032  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        1.202  -0.071  -0.065  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.514  -0.214   0.898  0.00  0.00    +0.155 HD
BRANCH  13  16
ATOM     16  C   LIG    1        3.570  -0.178  -0.530  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        3.979  -1.234   0.296  0.00  0.00    +0.054 A 
ATOM     18 CL   LIG    1        2.920  -2.507   0.788  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        5.309  -1.308   0.727  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.227  -0.340   0.322  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        7.859  -0.438   0.854  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        5.835   0.701  -0.516  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        4.509   0.780  -0.947  0.00  0.00    +0.016 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   2  24
ATOM     24  C   LIG    1       -0.460  -0.167   2.273  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        0.731  -0.199   2.535  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -1.383  -0.291   3.243  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -0.864  -0.398   4.067  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   2  24
TORSDOF 5