REMARK  Name = BDB062596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  1        0.628   2.848  -0.020  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   UNK A  1        3.412  -0.409  -0.567  0.00  0.00    +0.022 A 
ATOM      3  C   UNK A  1        3.503   0.403   0.568  0.00  0.00    +0.012 A 
ATOM      4  C   UNK A  1        2.606   1.461   0.741  0.00  0.00    +0.005 A 
ATOM      5  C   UNK A  1        1.601   1.710  -0.207  0.00  0.00    -0.038 A 
ATOM      6  C   UNK A  1        1.514   0.882  -1.336  0.00  0.00    +0.005 A 
ATOM      7  C   UNK A  1        2.407  -0.177  -1.510  0.00  0.00    +0.012 A 
BRANCH   2   8
ATOM      8  C   UNK A  1        4.331  -1.555  -0.778  0.00  0.00    +0.193 C 
ATOM      9  O   UNK A  1        3.891  -2.591  -1.272  0.00  0.00    -0.287 OA
BRANCH   8  14
ATOM     10  C   UNK A  1        9.931  -1.387   0.693  0.00  0.00    +0.044 C 
ATOM     11  C   UNK A  1        8.488  -1.425   0.285  0.00  0.00    -0.050 A 
ATOM     12  C   UNK A  1        7.846  -0.263  -0.160  0.00  0.00    +0.004 A 
ATOM     13  C   UNK A  1        6.494  -0.289  -0.514  0.00  0.00    +0.012 A 
ATOM     14  C   UNK A  1        5.766  -1.479  -0.403  0.00  0.00    +0.022 A 
ATOM     15  C   UNK A  1        6.404  -2.644   0.034  0.00  0.00    +0.012 A 
ATOM     16  C   UNK A  1        7.755  -2.614   0.388  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   UNK A  1       -0.480   2.634   1.415  0.00  0.00    -0.154 S 
BRANCH  17  18
ATOM     18  C   UNK A  1       -1.456   1.171   0.896  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   UNK A  1       -2.843   1.534   0.348  0.00  0.00    +0.194 C 
BRANCH  19  20
ATOM     20  N   UNK A  1       -3.750   0.389   0.425  0.00  0.00    -0.267 N 
ATOM     21  H   UNK A  1       -3.418  -0.548   0.231  0.00  0.00    +0.153 HD
ATOM     22  C   UNK A  0       -5.099   0.556   0.368  0.00  0.00    +0.401 C 
ATOM     23  O   UNK A  0       -5.627   1.657   0.292  0.00  0.00    -0.226 OA
BRANCH  22  24
ATOM     24  O   UNK A  0       -5.703  -0.647   0.349  0.00  0.00    -0.445 OA
BRANCH  24  25
ATOM     25  C   UNK A  0       -7.147  -0.751   0.248  0.00  0.00    +0.107 C 
ATOM     26  C   UNK A  0       -7.434  -2.259   0.265  0.00  0.00    +0.055 C 
ATOM     27  C   UNK A  0       -7.653  -0.169  -1.076  0.00  0.00    +0.055 C 
ATOM     28  C   UNK A  0       -7.836  -0.106   1.456  0.00  0.00    +0.055 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
BRANCH  19  29
ATOM     29  C   UNK A  1       -2.786   1.986  -1.117  0.00  0.00    +0.326 C 
ATOM     30  O   UNK A  1       -1.872   1.739  -1.891  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   UNK A  1       -3.899   2.653  -1.516  0.00  0.00    -0.479 OA
ATOM     32  H   UNK A  1       -4.617   2.659  -0.836  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  19  29
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11