REMARK  Name = BDB062589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  1        1.355  -3.469  -0.985  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   UNK A  0        3.532  -1.711  -1.572  0.00  0.00    -0.226 OA
ATOM      3  C   UNK A  0        2.379  -1.315  -1.616  0.00  0.00    +0.401 C 
ATOM      4  N   UNK A  1        1.289  -2.034  -1.240  0.00  0.00    -0.267 N 
ATOM      5  H   UNK A  1        0.406  -1.632  -1.533  0.00  0.00    +0.153 HD
BRANCH   3   6
ATOM      6  O   UNK A  0        1.969  -0.095  -2.024  0.00  0.00    -0.446 OA
BRANCH   6   7
ATOM      7  C   UNK A  0        3.006   0.851  -2.306  0.00  0.00    +0.269 C 
BRANCH   7   8
ATOM      8  C   UNK A  0        3.142   1.767  -1.117  0.00  0.00    -0.010 A 
ATOM      9  C   UNK A  0        4.060   1.474  -0.100  0.00  0.00    +0.007 A 
ATOM     10  C   UNK A  0        4.154   2.295   1.025  0.00  0.00    +0.000 A 
ATOM     11  C   UNK A  0        3.328   3.411   1.146  0.00  0.00    +0.000 A 
ATOM     12  C   UNK A  0        2.405   3.706   0.145  0.00  0.00    +0.000 A 
ATOM     13  C   UNK A  0        2.308   2.886  -0.981  0.00  0.00    +0.007 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   UNK A  1        1.017  -4.171  -2.297  0.00  0.00    +0.326 C 
ATOM     15  O   UNK A  1        0.297  -3.740  -3.187  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   UNK A  1        1.566  -5.398  -2.400  0.00  0.00    -0.479 OA
ATOM     17  H   UNK A  1        1.289  -5.720  -3.284  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   1  18
ATOM     18  C   UNK A  1        0.341  -3.915   0.072  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  S   UNK A  1        0.914  -3.768   1.810  0.00  0.00    -0.154 S 
BRANCH  19  20
ATOM     20  C   UNK A  1        1.093  -1.965   2.005  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  C   UNK A  1       -0.152  -1.148   1.759  0.00  0.00    -0.038 A 
ATOM     22  C   UNK A  1       -0.061   0.049   1.037  0.00  0.00    +0.005 A 
ATOM     23  C   UNK A  1       -1.190   0.844   0.816  0.00  0.00    +0.009 A 
ATOM     24  C   UNK A  1       -2.444   0.478   1.326  0.00  0.00    -0.018 A 
ATOM     25  C   UNK A  1       -2.525  -0.706   2.075  0.00  0.00    +0.009 A 
ATOM     26  C   UNK A  1       -1.396  -1.501   2.299  0.00  0.00    +0.005 A 
BRANCH  24  27
ATOM     27  C   UNK A  1       -3.633   1.314   1.094  0.00  0.00    -0.018 A 
ATOM     28  C   UNK A  1       -3.628   2.684   1.412  0.00  0.00    +0.010 A 
ATOM     29  C   UNK A  1       -4.756   3.480   1.192  0.00  0.00    +0.020 A 
ATOM     30  C   UNK A  1       -5.906   2.914   0.648  0.00  0.00    +0.041 A 
ATOM     31 CL   UNK A  1       -7.295   3.892   0.376  0.00  0.00    -0.084 Cl
ATOM     32  C   UNK A  1       -5.937   1.561   0.325  0.00  0.00    +0.020 A 
ATOM     33  C   UNK A  1       -4.807   0.767   0.547  0.00  0.00    +0.010 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11