REMARK  Name = BDB060854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.030   3.477  -2.147  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.439   0.299  -0.523  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -2.303   1.187  -1.563  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -2.680   1.096  -2.493  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -1.540   2.210  -1.094  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.237   1.996   0.164  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -1.796   0.792   0.522  0.00  0.00    -0.128 NA
BRANCH   2  10
ATOM      8  C   LIG    1       -4.089  -0.682   1.767  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.969  -1.432   0.466  0.00  0.00    -0.040 A 
ATOM     10  C   LIG    1       -3.184  -0.958  -0.608  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -3.114  -1.724  -1.787  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.806  -2.931  -1.905  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.576  -3.394  -0.846  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.654  -2.654   0.333  0.00  0.00    +0.004 A 
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1        0.142   4.599  -0.875  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.516   3.566  -0.791  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1        1.550   2.522   0.079  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1        0.800   2.249   0.700  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        2.724   1.853  -0.160  0.00  0.00    +0.163 A 
ATOM     20  N   LIG    1        3.386   2.525  -1.090  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1        2.621   3.604  -1.490  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1        3.118   0.615   0.520  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.472   0.273   0.732  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        5.606   1.157   0.278  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.788  -0.937   1.377  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.785  -1.797   1.821  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.451  -1.466   1.619  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.121  -0.273   0.974  0.00  0.00    +0.012 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5