REMARK  Name = BDB018917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.881   0.396   0.270  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.547  -0.963   0.263  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.206  -1.386   0.166  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        0.920  -2.864   0.151  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -0.454  -3.145  -0.430  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -1.478  -2.266   0.269  0.00  0.00    +0.111 C 
ATOM      7  N   LIG    1       -1.203  -0.835   0.028  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1        0.160  -0.444   0.121  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.515   0.916   0.096  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.849   1.332   0.178  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.308  -0.046   0.457  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -3.428   0.080  -0.383  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -4.511   0.839   0.042  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1       -4.493   1.465   1.288  0.00  0.00    +0.041 A 
ATOM     15  S   LIG    1       -5.994   2.358   1.567  0.00  0.00    -0.027 S 
ATOM     16  C   LIG    1       -6.632   1.874  -0.016  0.00  0.00    +0.291 A 
ATOM     17  O   LIG    1       -7.731   2.220  -0.421  0.00  0.00    -0.259 OA
ATOM     18  C   LIG    1       -3.404   1.354   2.136  0.00  0.00    +0.019 A 
ATOM     19  N   LIG    1       -5.704   1.075  -0.670  0.00  0.00    -0.305 N 
ATOM     20  C   LIG    1       -5.945   0.537  -1.985  0.00  0.00    +0.153 C 
ATOM     21  C   LIG    1       -2.311   0.593   1.715  0.00  0.00    +0.024 A 
ENDBRANCH   7  11
BRANCH   1  26
ATOM     22  C   LIG    1        7.830   0.604  -0.112  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        6.452   0.909   0.185  0.00  0.00    -0.274 N 
ATOM     24  N   LIG    1        6.148   2.069   0.793  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        4.817   2.025   0.900  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1        4.262   0.836   0.369  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.360   0.137  -0.090  0.00  0.00    +0.116 A 
ENDBRANCH   1  26
TORSDOF 2