REMARK  Name = BDB062598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   UNK A  1        0.048   1.421   0.329  0.00  0.00    -0.154 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNK A  1       -1.588   1.095   1.075  0.00  0.00    +0.103 C 
BRANCH   2   3
ATOM      3  C   UNK A  1       -2.638   0.569   0.091  0.00  0.00    +0.194 C 
BRANCH   3   5
ATOM      4  C   UNK A  0       -5.090   0.736  -0.067  0.00  0.00    +0.401 C 
ATOM      5  N   UNK A  1       -3.970   0.627   0.700  0.00  0.00    -0.267 N 
ATOM      6  H   UNK A  1       -4.130   0.135   1.570  0.00  0.00    +0.153 HD
ATOM      7  O   UNK A  0       -5.099   1.005  -1.256  0.00  0.00    -0.226 OA
BRANCH   4   8
ATOM      8  O   UNK A  0       -6.166   0.471   0.706  0.00  0.00    -0.445 OA
BRANCH   8  10
ATOM      9  C   UNK A  0       -7.677  -0.571  -0.938  0.00  0.00    +0.055 C 
ATOM     10  C   UNK A  0       -7.505   0.499   0.146  0.00  0.00    +0.107 C 
ATOM     11  C   UNK A  0       -8.427   0.155   1.325  0.00  0.00    +0.055 C 
ATOM     12  C   UNK A  0       -7.866   1.898  -0.366  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       -2.384  -0.898  -0.233  0.00  0.00    +0.326 C 
ATOM     14  O   UNK A  1       -2.622  -1.844   0.505  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   UNK A  1       -1.837  -1.101  -1.446  0.00  0.00    -0.479 OA
ATOM     16  H   UNK A  1       -1.801  -2.075  -1.550  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        0.893  -0.137   0.745  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  C   UNK A  1        2.291  -0.170   0.178  0.00  0.00    -0.038 A 
ATOM     19  C   UNK A  1        2.518  -0.636  -1.125  0.00  0.00    +0.005 A 
ATOM     20  C   UNK A  1        3.810  -0.657  -1.655  0.00  0.00    +0.012 A 
ATOM     21  C   UNK A  1        4.893  -0.218  -0.887  0.00  0.00    +0.022 A 
ATOM     22  C   UNK A  1        4.671   0.280   0.402  0.00  0.00    +0.012 A 
ATOM     23  C   UNK A  1        3.377   0.299   0.931  0.00  0.00    +0.005 A 
BRANCH  21  24
ATOM     24  C   UNK A  1        6.249  -0.246  -1.494  0.00  0.00    +0.193 C 
ATOM     25  O   UNK A  1        6.371  -0.076  -2.704  0.00  0.00    -0.287 OA
BRANCH  24  26
ATOM     26  C   UNK A  1        7.463  -0.477  -0.672  0.00  0.00    +0.022 A 
ATOM     27  C   UNK A  1        7.464  -1.379   0.400  0.00  0.00    +0.012 A 
ATOM     28  C   UNK A  1        8.632  -1.577   1.140  0.00  0.00    +0.001 A 
ATOM     29  C   UNK A  1        9.798  -0.889   0.805  0.00  0.00    +0.000 A 
ATOM     30  C   UNK A  1        9.805  -0.008  -0.276  0.00  0.00    +0.001 A 
ATOM     31  C   UNK A  1        8.641   0.194  -1.019  0.00  0.00    +0.012 A 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11