REMARK  Name = BDB062599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   UNK A  1       -1.107   0.931  -2.051  0.00  0.00    -0.154 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNK A  1       -1.579   0.859  -0.279  0.00  0.00    +0.103 C 
BRANCH   2   3
ATOM      3  C   UNK A  1       -2.683   1.877   0.040  0.00  0.00    +0.194 C 
BRANCH   3   5
ATOM      4  C   UNK A  0       -4.311   0.580   1.451  0.00  0.00    +0.401 C 
ATOM      5  N   UNK A  1       -3.365   1.543   1.292  0.00  0.00    -0.267 N 
ATOM      6  H   UNK A  1       -3.239   2.166   2.087  0.00  0.00    +0.153 HD
ATOM      7  O   UNK A  0       -4.895   0.418   2.511  0.00  0.00    -0.226 OA
BRANCH   4   8
ATOM      8  O   UNK A  0       -4.495  -0.141   0.320  0.00  0.00    -0.445 OA
BRANCH   8  10
ATOM      9  C   UNK A  0       -5.080  -2.343   1.258  0.00  0.00    +0.055 C 
ATOM     10  C   UNK A  0       -5.457  -1.226   0.279  0.00  0.00    +0.107 C 
ATOM     11  C   UNK A  0       -5.357  -1.775  -1.153  0.00  0.00    +0.055 C 
ATOM     12  C   UNK A  0       -6.883  -0.716   0.510  0.00  0.00    +0.055 C 
ENDBRANCH   8  10
ENDBRANCH   4   8
ENDBRANCH   3   5
BRANCH   3  13
ATOM     13  C   UNK A  1       -2.102   3.290   0.196  0.00  0.00    +0.326 C 
ATOM     14  O   UNK A  1       -2.154   3.934   1.237  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   UNK A  1       -1.542   3.794  -0.927  0.00  0.00    -0.479 OA
ATOM     16  H   UNK A  1       -1.510   3.158  -1.675  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   3  13
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   UNK A  1       -0.066  -0.565  -2.145  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  C   UNK A  1        1.168  -0.487  -1.283  0.00  0.00    -0.038 A 
ATOM     19  C   UNK A  1        2.210   0.399  -1.600  0.00  0.00    +0.005 A 
ATOM     20  C   UNK A  1        3.349   0.479  -0.793  0.00  0.00    +0.012 A 
ATOM     21  C   UNK A  1        3.467  -0.342   0.333  0.00  0.00    +0.022 A 
ATOM     22  C   UNK A  1        2.427  -1.218   0.663  0.00  0.00    +0.012 A 
ATOM     23  C   UNK A  1        1.289  -1.295  -0.143  0.00  0.00    +0.005 A 
BRANCH  21  24
ATOM     24  C   UNK A  1        4.650  -0.280   1.229  0.00  0.00    +0.193 C 
ATOM     25  O   UNK A  1        4.501  -0.479   2.432  0.00  0.00    -0.287 OA
BRANCH  24  26
ATOM     26  C   UNK A  1        6.007   0.017   0.707  0.00  0.00    +0.022 A 
ATOM     27  C   UNK A  1        6.444  -0.480  -0.527  0.00  0.00    +0.012 A 
ATOM     28  C   UNK A  1        7.734  -0.188  -0.977  0.00  0.00    +0.001 A 
ATOM     29  C   UNK A  1        8.589   0.587  -0.192  0.00  0.00    +0.000 A 
ATOM     30  C   UNK A  1        8.163   1.064   1.047  0.00  0.00    +0.001 A 
ATOM     31  C   UNK A  1        6.876   0.774   1.501  0.00  0.00    +0.012 A 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11