REMARK  Name = BDB060631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.925   1.223   1.487  0.00  0.00    +0.116 A 
ATOM      2  S   LIG    1        1.429   0.567   3.065  0.00  0.00    -0.030 S 
ATOM      3  C   LIG    1        2.757  -0.494   2.909  0.00  0.00    +0.218 A 
ATOM      4  N   LIG    1        3.415  -0.274   1.746  0.00  0.00    -0.186 N 
ATOM      5  C   LIG    1        4.459  -1.173   1.733  0.00  0.00    +0.186 A 
ATOM      6  N   LIG    1        4.388  -1.873   2.868  0.00  0.00    -0.126 NA
ATOM      7  N   LIG    1        3.301  -1.438   3.615  0.00  0.00    -0.120 NA
ATOM      8  N   LIG    1        2.972   0.704   0.901  0.00  0.00    -0.159 NA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.476  -1.343   0.689  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        5.449  -0.655  -0.533  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        6.446  -0.857  -1.494  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.486  -1.751  -1.250  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.529  -2.445  -0.045  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.533  -2.242   0.914  0.00  0.00    +0.011 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     15  C   LIG    1        1.092   2.329   0.878  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.233   1.738  -0.155  0.00  0.00    -0.308 NA
ATOM     17  H   LIG    1        0.815   1.331  -0.890  0.00  0.00    +0.123 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.711   2.698  -0.740  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -0.009   3.683  -1.680  0.00  0.00    +0.024 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -1.796   1.927  -1.520  0.00  0.00    +0.019 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.638   1.004  -0.626  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.746   0.318  -1.440  0.00  0.00    +0.084 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.585  -0.649  -0.711  0.00  0.00    -0.303 NA
BRANCH  23  25
ATOM     24  C   LIG    1       -6.453  -0.865   0.947  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -5.321  -0.010   0.390  0.00  0.00    +0.081 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.824  -1.837  -0.295  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -4.548  -3.112  -0.713  0.00  0.00    +0.020 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 10