REMARK  Name = BDB061008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.407   0.602   0.621  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.104   0.010   0.524  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.891   0.280   1.510  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.184  -0.300   1.347  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.468  -1.171   0.286  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.490  -1.459  -0.650  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.516   1.089   2.608  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.764   1.618   2.730  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.232  -0.873  -0.531  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.715   1.372   1.749  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  S   LIG    1        3.506   0.069   2.486  0.00  0.00    +0.059 S 
ATOM     12  O   LIG    1        3.414  -0.889   3.565  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1        3.549   1.495   2.724  0.00  0.00    -0.153 OA
BRANCH  11  14
ATOM     14  N   LIG    1        4.908  -0.315   1.649  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1        5.540  -0.908   2.182  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        5.498   0.721   0.805  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.520   0.123  -0.130  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        6.134  -0.364  -1.387  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        7.074  -0.942  -2.241  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.406  -1.046  -1.845  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        8.799  -0.575  -0.594  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.861   0.004   0.263  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   4  11
BRANCH   1  23
ATOM     23  N   LIG    1       -2.362   0.337  -0.387  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -1.910   0.456  -1.293  0.00  0.00    +0.146 HD
BRANCH  23  30
ATOM     25  C   LIG    1       -8.018  -2.096  -0.834  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -7.554  -0.823  -1.496  0.00  0.00    +0.212 C 
ATOM     27  N   LIG    1       -6.314  -0.327  -1.117  0.00  0.00    -0.302 N 
ATOM     28  C   LIG    1       -5.799   0.853  -1.805  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -4.278   0.876  -1.803  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -3.717   0.908  -0.370  0.00  0.00    +0.073 C 
ATOM     31  C   LIG    1       -4.615   0.142   0.617  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.471  -0.913  -0.073  0.00  0.00    +0.109 C 
ATOM     33  O   LIG    1       -8.265  -0.262  -2.330  0.00  0.00    -0.276 OA
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 6