REMARK  Name = BDB062591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   UNK A  1       -0.645  -0.796   1.392  0.00  0.00    -0.154 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNK A  1       -0.980  -0.750  -0.418  0.00  0.00    +0.103 C 
BRANCH   2   3
ATOM      3  C   UNK A  1       -2.237   0.027  -0.827  0.00  0.00    +0.194 C 
BRANCH   3   5
ATOM      4  C   UNK A  0       -4.666  -0.169  -0.510  0.00  0.00    +0.401 C 
ATOM      5  N   UNK A  1       -3.403  -0.355  -0.040  0.00  0.00    -0.267 N 
ATOM      6  H   UNK A  1       -3.322  -0.369   0.970  0.00  0.00    +0.153 HD
ATOM      7  O   UNK A  0       -4.938   0.134  -1.660  0.00  0.00    -0.226 OA
BRANCH   4   8
ATOM      8  O   UNK A  0       -5.540  -0.355   0.502  0.00  0.00    -0.445 OA
BRANCH   8  10
ATOM      9  C   UNK A  0       -7.495  -1.219  -0.723  0.00  0.00    +0.055 C 
ATOM     10  C   UNK A  0       -6.966  -0.197   0.289  0.00  0.00    +0.107 C 
ATOM     11  C   UNK A  0       -7.312   1.241  -0.115  0.00  0.00    +0.055 C 
ATOM     12  C   UNK A  0       -7.600  -0.488   1.657  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       -2.011   1.534  -0.734  0.00  0.00    +0.326 C 
ATOM     14  O   UNK A  1       -2.427   2.290   0.131  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   UNK A  1       -1.240   2.012  -1.732  0.00  0.00    -0.479 OA
ATOM     16  H   UNK A  1       -1.256   2.985  -1.601  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        0.445   0.652   1.585  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  C   UNK A  1        1.795   0.480   0.932  0.00  0.00    -0.038 A 
ATOM     19  C   UNK A  1        2.701  -0.484   1.403  0.00  0.00    +0.005 A 
ATOM     20  C   UNK A  1        3.950  -0.646   0.797  0.00  0.00    +0.012 A 
ATOM     21  C   UNK A  1        4.316   0.170  -0.278  0.00  0.00    +0.022 A 
ATOM     22  C   UNK A  1        3.415   1.124  -0.762  0.00  0.00    +0.012 A 
ATOM     23  C   UNK A  1        2.167   1.283  -0.156  0.00  0.00    +0.005 A 
BRANCH  21  24
ATOM     24  C   UNK A  1        5.625   0.024  -0.962  0.00  0.00    +0.193 C 
ATOM     25  O   UNK A  1        5.693   0.212  -2.174  0.00  0.00    -0.287 OA
BRANCH  24  26
ATOM     26  C   UNK A  1        6.858  -0.342  -0.219  0.00  0.00    +0.022 A 
ATOM     27  C   UNK A  1        7.818  -1.129  -0.868  0.00  0.00    +0.013 A 
ATOM     28  C   UNK A  1        8.998  -1.481  -0.209  0.00  0.00    +0.021 A 
ATOM     29  C   UNK A  1        9.223  -1.035   1.092  0.00  0.00    +0.041 A 
ATOM     30 CL   UNK A  1       10.676  -1.467   1.905  0.00  0.00    -0.084 Cl
ATOM     31  C   UNK A  1        8.281  -0.233   1.738  0.00  0.00    +0.021 A 
ATOM     32  C   UNK A  1        7.099   0.121   1.081  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11