REMARK  Name = BDB041494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.308   0.134  -1.339  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.262   0.487  -0.392  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.837  -0.066  -2.133  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.796  -0.545  -3.256  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.142   0.363  -1.517  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        3.245  -0.248  -2.017  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        4.444   0.086  -1.501  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.613   1.020  -0.483  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.462   1.639   0.021  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.211   1.312  -0.501  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        5.580  -0.521  -1.996  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        5.315  -1.471  -3.025  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.974   1.347   0.067  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.503   0.360   1.007  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.811   0.441   1.345  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.982  -0.560   2.211  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.792  -1.265   2.456  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.848  -0.636   1.678  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.853  -0.216  -1.875  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.900  -1.645  -2.090  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.204   0.750  -2.895  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.579   1.231   0.383  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.873   0.167  -0.479  0.00  0.00    +0.192 A 
ATOM     24  C   LIG    1       -4.012  -0.576  -0.221  0.00  0.00    +0.154 A 
ATOM     25  O   LIG    1       -4.484  -1.619  -0.977  0.00  0.00    -0.489 OA
ATOM     26  C   LIG    1       -5.837  -1.822  -0.509  0.00  0.00    +0.240 C 
ATOM     27  C   LIG    1       -5.931  -1.314   0.941  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -5.607  -2.428   1.944  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -7.303  -0.709   1.236  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -4.816  -0.318   0.889  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.508   0.706   1.772  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.380   1.486   1.512  0.00  0.00    +0.048 A 
BRANCH  22  34
ATOM     33  C   LIG    1       -1.846   3.269  -0.389  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.468   2.016   0.198  0.00  0.00    -0.493 OA
ENDBRANCH  22  34
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7