REMARK  Name = BDB058491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.157   0.747   1.044  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.442  -0.602   1.216  0.00  0.00    +0.027 A 
ATOM      3  S   LIG    1        0.928  -1.460   1.802  0.00  0.00    -0.091 S 
ATOM      4  C   LIG    1        1.903  -0.057   1.828  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        1.196   1.051   1.408  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.006   3.612  -0.375  0.00  0.00    -0.045 A 
ATOM      7  C   LIG    1       -2.380   3.774   0.870  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -1.450   2.837   1.330  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.133   1.716   0.555  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.745   1.553  -0.691  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -2.675   2.490  -1.149  0.00  0.00    +0.004 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.406   4.021  -1.028  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -4.017   4.639  -0.851  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -3.558   5.327  -2.140  0.00  0.00    +0.012 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  C   LIG    1       -1.693  -1.345   1.010  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -1.754  -2.418   0.113  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.952  -3.110  -0.092  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.118  -2.744   0.596  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1       -4.054  -1.669   1.493  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.856  -0.978   1.698  0.00  0.00    +0.009 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -5.431  -3.478   0.388  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.927  -3.344  -1.054  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -5.325  -4.950   0.794  0.00  0.00    +0.012 C 
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  24
ATOM     24  C   LIG    1        3.333  -0.131   2.272  0.00  0.00    +0.123 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.206  -0.322   1.112  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1        4.032   0.426   0.444  0.00  0.00    +0.122 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.614  -0.334   1.503  0.00  0.00    +0.084 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.562  -0.603   0.321  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.363  -2.003  -0.297  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1        6.620  -2.027  -1.806  0.00  0.00    +0.081 C 
ATOM     31  N   LIG    1        7.772  -1.203  -2.168  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1        8.582  -1.534  -1.644  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        7.548   0.212  -1.856  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        6.499   0.475  -0.768  0.00  0.00    +0.020 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8