REMARK  Name = BDB065401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836   1.374   0.162  0.00  0.00    +0.227 A 
ATOM      2  C   LIG    1       -2.168   1.794   0.120  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -2.380   3.157   0.311  0.00  0.00    +0.116 A 
ATOM      4  S   LIG    1       -4.045   3.595   0.238  0.00  0.00    -0.073 S 
ATOM      5  C   LIG    1       -4.471   2.003  -0.045  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1       -5.784   1.359  -0.269  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -5.338  -0.039  -0.807  0.00  0.00    +0.013 C 
ATOM      8  C   LIG    1       -3.852  -0.265  -0.336  0.00  0.00    +0.022 C 
ATOM      9  N   LIG    1       -1.432   4.084   0.533  0.00  0.00    -0.228 NA
ATOM     10  C   LIG    1       -0.204   3.554   0.554  0.00  0.00    +0.226 A 
ATOM     11  C   LIG    1       -3.411   1.139  -0.079  0.00  0.00    -0.020 A 
ATOM     12  N   LIG    1        0.146   2.267   0.386  0.00  0.00    -0.201 NA
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -0.558   0.037  -0.006  0.00  0.00    -0.473 OA
BRANCH  13  17
ATOM     14  C   LIG    1        3.787  -0.310  -0.102  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1        2.978  -0.895   1.083  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1        1.582  -0.287   1.208  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1        0.799  -0.408  -0.099  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        1.564   0.147  -1.299  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        2.961  -0.465  -1.404  0.00  0.00    +0.022 C 
BRANCH  14  21
ATOM     20  C   LIG    1        5.902  -0.434  -1.351  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1        5.123  -0.959  -0.221  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1        5.925  -0.813   1.000  0.00  0.00    +0.104 C 
ENDBRANCH  14  21
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   8  23
ATOM     23  C   LIG    1       -3.757  -1.135   0.929  0.00  0.00    +0.023 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.004  -2.623   0.673  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.929  -3.233  -0.122  0.00  0.00    +0.063 C 
ATOM     26  N   LIG    1       -2.085  -3.713  -0.757  0.00  0.00    -0.197 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6