REMARK  Name = BDB046796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.303   0.129   0.910  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.350  -0.784   0.038  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.419  -0.373  -0.759  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.811   0.947  -0.652  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1       -2.833   1.639  -1.314  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -2.859   2.977  -0.858  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1       -1.821   3.084   0.095  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.470   4.276   0.811  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1       -3.619   3.862  -1.220  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1       -3.737   1.060  -2.266  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -1.182   1.842   0.219  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1       -0.127   1.460   1.020  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   2  13
ATOM     13  N   LIG    1        0.067  -2.160  -0.006  0.00  0.00    -0.211 N 
ATOM     14  H   LIG    1        1.068  -2.258   0.182  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -0.706  -3.206   1.099  0.00  0.00    +0.091 S 
ATOM     16  O   LIG    1        0.067  -4.435   1.081  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1       -0.968  -2.509   2.342  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.279  -3.697   0.525  0.00  0.00    +0.215 A 
ATOM     19  N   LIG    1       -3.006  -3.033  -0.449  0.00  0.00    -0.213 NA
ATOM     20  C   LIG    1       -4.124  -3.714  -0.595  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1       -5.228  -3.378  -1.529  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -4.137  -4.810   0.240  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1       -5.186  -5.797   0.341  0.00  0.00    +0.150 C 
ATOM     24  C   LIG    1       -2.978  -4.807   0.963  0.00  0.00    +0.136 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   2  13
BRANCH   1  25
ATOM     25  O   LIG    1        1.341  -0.377   1.672  0.00  0.00    -0.454 OA
BRANCH  25  28
ATOM     26  C   LIG    1        4.272   1.766   1.014  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        3.137   0.992   0.774  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        2.446   0.423   1.851  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        2.901   0.587   3.159  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        4.033   1.360   3.400  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        4.712   1.948   2.329  0.00  0.00    +0.046 A 
BRANCH  26  32
ATOM     32  O   LIG    1        5.038   2.389   0.067  0.00  0.00    -0.492 OA
BRANCH  32  33
ATOM     33  C   LIG    1        4.630   2.256  -1.295  0.00  0.00    +0.229 C 
BRANCH  33  35
ATOM     34  C   LIG    1        7.017   2.444  -2.120  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        5.611   3.022  -2.181  0.00  0.00    +0.038 C 
ENDBRANCH  33  35
ENDBRANCH  32  33
ENDBRANCH  26  32
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8