REMARK  Name = BDB037181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.550  -1.465   1.714  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.391  -1.978   1.981  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.434  -2.317   1.168  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.177  -3.507   1.054  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.791  -1.759   0.846  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.461  -2.406  -0.142  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.689  -1.949  -0.462  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.312  -0.884   0.181  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.603  -0.246   1.206  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.329  -0.689   1.551  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.386  -2.569  -1.480  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.665  -3.636  -2.092  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.681  -0.405  -0.215  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.601   0.771  -1.070  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.767   2.003  -0.541  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.637   2.816  -1.592  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.412   2.114  -2.791  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.402   0.790  -2.423  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -0.905   0.061   1.103  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -0.291   0.115  -0.205  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -0.558   1.012   2.139  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -4.689   0.940  -0.164  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1       -3.283   0.832  -0.098  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -2.673   0.098   0.935  0.00  0.00    +0.192 A 
ATOM     25  C   LIG    1       -3.478  -0.553   1.878  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -4.869  -0.515   1.771  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.470   0.240   0.768  0.00  0.00    +0.011 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.404   3.291  -0.695  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -5.393   1.841  -1.155  0.00  0.00    +0.035 C 
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1       -2.536   1.557  -0.990  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -2.282   0.813  -2.188  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
BRANCH  25  32
ATOM     32  O   LIG    1       -2.925  -1.295   2.889  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.105  -0.649   4.155  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 9