REMARK  Name = BDB030253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.007   0.067  -1.067  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.133   0.850  -0.328  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.692   1.836  -1.006  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        1.503   2.464   0.079  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        2.493   1.650   0.892  0.00  0.00    +0.071 C 
ATOM      6  C   LIG    1        1.074   1.886   1.380  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -0.006   0.884   1.125  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.051   0.165  -2.296  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -3.389  -2.444   0.012  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1       -2.792  -1.729  -0.986  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.884  -0.887  -0.364  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1       -1.943  -1.094   1.006  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1       -2.846  -2.029   1.194  0.00  0.00    +0.200 A 
BRANCH   9  15
ATOM     14  C   LIG    1       -3.904  -4.665  -0.941  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -4.414  -3.468  -0.137  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -5.698  -2.898  -0.740  0.00  0.00    +0.030 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1        3.634   2.332   1.570  0.00  0.00    +0.173 C 
ATOM     18  O   LIG    1        3.527   2.642   2.752  0.00  0.00    -0.291 OA
BRANCH  17  19
ATOM     19  C   LIG    1        4.826   2.586   0.775  0.00  0.00    +0.055 A 
ATOM     20  S   LIG    1        4.967   2.140  -0.874  0.00  0.00    -0.094 S 
ATOM     21  C   LIG    1        6.553   2.763  -0.987  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.980   3.305   0.204  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.984   3.203   1.218  0.00  0.00    +0.019 A 
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4