REMARK  Name = BDB000759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.643   1.107  -1.319  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1       -0.762   1.224  -2.403  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        0.598   0.999  -2.157  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.103   0.673  -0.903  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.512   0.527  -1.099  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1        2.849   0.754  -2.377  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1        0.206   0.571   0.178  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        1.686   1.030  -2.983  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        1.703   1.235  -3.975  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -1.160   0.796  -0.043  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.450   0.188  -0.067  0.00  0.00    +0.032 C 
ATOM     12  C   LIG    1        4.771   0.021  -0.259  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.748  -0.335   0.775  0.00  0.00    +0.064 A 
ATOM     14  N   LIG    1        6.830  -1.006   0.315  0.00  0.00    -0.256 NA
ATOM     15  C   LIG    1        7.783  -1.345   1.211  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.719  -1.036   2.558  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.612  -0.332   3.014  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.613   0.030   2.111  0.00  0.00    +0.028 A 
ENDBRANCH  12  13
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  S   LIG    1       -3.387   1.395  -1.593  0.00  0.00    -0.089 S 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.586  -0.667  -0.059  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -4.040  -0.247  -1.285  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.968  -1.169  -2.345  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -4.409  -2.484  -2.184  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.925  -2.901  -0.961  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.009  -1.998   0.098  0.00  0.00    +0.014 A 
BRANCH  20  29
ATOM     26  C   LIG    1       -5.312   2.430   1.994  0.00  0.00    +0.128 C 
ATOM     27  N   LIG    1       -5.230   1.469   0.924  0.00  0.00    -0.314 N 
ATOM     28  H   LIG    1       -5.297   1.805  -0.030  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1       -4.731   0.204   1.138  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1       -4.440  -0.234   2.246  0.00  0.00    -0.270 OA
ENDBRANCH  20  29
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5