REMARK  Name = BDB062593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  1       -1.078  -1.242  -1.293  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNK A  1       -2.283  -1.621  -0.421  0.00  0.00    +0.194 C 
BRANCH   2   4
ATOM      3  C   UNK A  0       -4.531  -0.736   0.031  0.00  0.00    +0.401 C 
ATOM      4  N   UNK A  1       -3.241  -0.519  -0.345  0.00  0.00    -0.267 N 
ATOM      5  H   UNK A  1       -2.922   0.439  -0.275  0.00  0.00    +0.153 HD
ATOM      6  O   UNK A  0       -4.970  -1.850   0.279  0.00  0.00    -0.226 OA
BRANCH   3   7
ATOM      7  O   UNK A  0       -5.175   0.442   0.134  0.00  0.00    -0.445 OA
BRANCH   7   9
ATOM      8  C   UNK A  0       -7.474  -0.245  -0.423  0.00  0.00    +0.055 C 
ATOM      9  C   UNK A  0       -6.561   0.494   0.561  0.00  0.00    +0.107 C 
ATOM     10  C   UNK A  0       -6.719  -0.031   1.993  0.00  0.00    +0.055 C 
ATOM     11  C   UNK A  0       -6.922   1.987   0.542  0.00  0.00    +0.055 C 
ENDBRANCH   7   9
ENDBRANCH   3   7
ENDBRANCH   2   4
BRANCH   2  12
ATOM     12  C   UNK A  1       -1.871  -1.976   1.013  0.00  0.00    +0.326 C 
ATOM     13  O   UNK A  1       -0.827  -1.630   1.549  0.00  0.00    -0.249 OA
BRANCH  12  14
ATOM     14  O   UNK A  1       -2.822  -2.671   1.688  0.00  0.00    -0.479 OA
ATOM     15  H   UNK A  1       -3.672  -2.755   1.189  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  S   UNK A  1       -0.186  -2.699  -1.956  0.00  0.00    -0.154 S 
BRANCH  16  17
ATOM     17  C   UNK A  1        1.229  -2.798  -0.807  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  C   UNK A  1        2.165  -1.619  -0.894  0.00  0.00    -0.038 A 
ATOM     19  C   UNK A  1        2.330  -0.763   0.202  0.00  0.00    +0.005 A 
ATOM     20  C   UNK A  1        3.203   0.325   0.131  0.00  0.00    +0.004 A 
ATOM     21  C   UNK A  1        3.936   0.578  -1.036  0.00  0.00    -0.043 A 
ATOM     22  C   UNK A  1        3.777  -0.282  -2.131  0.00  0.00    +0.004 A 
ATOM     23  C   UNK A  1        2.904  -1.370  -2.060  0.00  0.00    +0.005 A 
BRANCH  21  24
ATOM     24  C   UNK A  1        4.880   1.756  -1.113  0.00  0.00    +0.070 C 
BRANCH  24  25
ATOM     25  C   UNK A  1        6.090   1.639  -0.215  0.00  0.00    -0.043 A 
ATOM     26  C   UNK A  1        7.072   0.667  -0.463  0.00  0.00    +0.004 A 
ATOM     27  C   UNK A  1        8.190   0.561   0.365  0.00  0.00    +0.000 A 
ATOM     28  C   UNK A  1        8.341   1.425   1.448  0.00  0.00    +0.000 A 
ATOM     29  C   UNK A  1        7.373   2.394   1.705  0.00  0.00    +0.000 A 
ATOM     30  C   UNK A  1        6.254   2.502   0.878  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11