REMARK  Name = BDB062597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  1        0.217   0.580   1.093  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   UNK A  0       -2.135   1.035   0.454  0.00  0.00    +0.401 C 
ATOM      3  N   UNK A  1       -1.139   0.151   0.718  0.00  0.00    -0.267 N 
ATOM      4  H   UNK A  1       -1.196  -0.668   0.122  0.00  0.00    +0.153 HD
ATOM      5  O   UNK A  0       -2.122   2.186   0.865  0.00  0.00    -0.226 OA
BRANCH   2   6
ATOM      6  O   UNK A  0       -3.089   0.436  -0.283  0.00  0.00    -0.445 OA
BRANCH   6   8
ATOM      7  C   UNK A  0       -3.915   2.343  -1.605  0.00  0.00    +0.055 C 
ATOM      8  C   UNK A  0       -4.275   1.164  -0.694  0.00  0.00    +0.107 C 
ATOM      9  C   UNK A  0       -5.101   1.609   0.518  0.00  0.00    +0.055 C 
ATOM     10  C   UNK A  0       -5.097   0.149  -1.504  0.00  0.00    +0.055 C 
ENDBRANCH   6   8
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   UNK A  1        0.348   1.094   2.544  0.00  0.00    +0.326 C 
ATOM     12  O   UNK A  1        1.321   0.873   3.255  0.00  0.00    -0.249 OA
BRANCH  11  13
ATOM     13  O   UNK A  1       -0.643   1.909   2.968  0.00  0.00    -0.479 OA
ATOM     14  H   UNK A  1       -1.292   2.146   2.264  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   UNK A  1        1.227  -0.569   0.909  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  S   UNK A  1        1.134  -1.296  -0.774  0.00  0.00    -0.154 S 
BRANCH  16  17
ATOM     17  C   UNK A  1        2.382  -2.614  -0.597  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  C   UNK A  1        3.787  -2.088  -0.460  0.00  0.00    -0.038 A 
ATOM     19  C   UNK A  1        4.445  -1.513  -1.558  0.00  0.00    +0.004 A 
ATOM     20  C   UNK A  1        5.745  -1.023  -1.430  0.00  0.00    +0.000 A 
ATOM     21  C   UNK A  1        6.403  -1.102  -0.204  0.00  0.00    +0.000 A 
ATOM     22  C   UNK A  1        5.762  -1.673   0.893  0.00  0.00    +0.000 A 
ATOM     23  C   UNK A  1        4.462  -2.165   0.767  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9