REMARK  Name = BDB062601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  1        0.301  -2.960   1.266  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   UNK A  0       -0.735  -1.663  -1.905  0.00  0.00    -0.275 OA
ATOM      3  C   UNK A  0       -0.876  -1.816  -0.693  0.00  0.00    +0.218 C 
ATOM      4  N   UNK A  1       -0.191  -2.866  -0.124  0.00  0.00    -0.301 N 
ATOM      5  H   UNK A  1        0.437  -3.269  -0.815  0.00  0.00    +0.150 HD
BRANCH   3   6
ATOM      6  C   UNK A  0       -1.838  -0.999   0.166  0.00  0.00    +0.130 C 
BRANCH   6   7
ATOM      7  C   UNK A  0       -2.190   0.372  -0.366  0.00  0.00    -0.039 A 
ATOM      8  C   UNK A  0       -2.829   0.527  -1.604  0.00  0.00    +0.004 A 
ATOM      9  C   UNK A  0       -3.187   1.794  -2.067  0.00  0.00    +0.000 A 
ATOM     10  C   UNK A  0       -2.923   2.921  -1.293  0.00  0.00    +0.000 A 
ATOM     11  C   UNK A  0       -2.300   2.781  -0.055  0.00  0.00    +0.000 A 
ATOM     12  C   UNK A  0       -1.935   1.515   0.406  0.00  0.00    +0.004 A 
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   UNK A  1       -0.840  -3.212   2.261  0.00  0.00    +0.326 C 
ATOM     14  O   UNK A  1       -0.786  -3.001   3.462  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   UNK A  1       -1.919  -3.792   1.674  0.00  0.00    -0.479 OA
ATOM     16  H   UNK A  1       -1.754  -3.948   0.719  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   1  17
ATOM     17  C   UNK A  1        1.231  -1.817   1.698  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  S   UNK A  1        2.905  -1.996   0.961  0.00  0.00    -0.154 S 
BRANCH  18  19
ATOM     19  C   UNK A  1        2.763  -0.963  -0.534  0.00  0.00    +0.104 C 
BRANCH  19  20
ATOM     20  C   UNK A  1        2.542   0.505  -0.275  0.00  0.00    -0.038 A 
ATOM     21  C   UNK A  1        1.533   1.192  -0.967  0.00  0.00    +0.004 A 
ATOM     22  C   UNK A  1        1.345   2.562  -0.777  0.00  0.00    +0.000 A 
ATOM     23  C   UNK A  1        2.162   3.265   0.104  0.00  0.00    +0.000 A 
ATOM     24  C   UNK A  1        3.177   2.601   0.787  0.00  0.00    +0.000 A 
ATOM     25  C   UNK A  1        3.373   1.232   0.592  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9