REMARK  Name = BDB037174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.201   0.369   2.035  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.011   1.311   1.710  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.437  -0.718   1.577  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.842  -1.869   1.580  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.932  -0.365   1.078  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.438  -1.192   0.132  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.667  -0.912  -0.348  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.426   0.189   0.042  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.882   1.015   1.036  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.619   0.746   1.557  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.208  -1.754  -1.299  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.530  -3.006  -1.392  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.811   0.401  -0.515  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.138   1.813  -0.713  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.886   2.465   0.202  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.021   3.689  -0.313  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.354   3.829  -1.544  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.789   2.597  -1.779  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.789   0.236   2.543  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.297   1.594   2.559  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.753  -0.541   3.762  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.446  -0.177  -0.097  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -3.616  -0.624   1.232  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -4.441  -1.721   1.499  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -5.123  -2.357   0.456  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.954  -1.927  -0.855  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.118  -0.844  -1.131  0.00  0.00    +0.048 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -4.697  -2.160   2.769  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.925  -3.330   3.062  0.00  0.00    +0.277 C 
ENDBRANCH  24  28
BRANCH  22  30
ATOM     30  O   LIG    1       -2.616   0.896  -0.304  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -1.519   2.574  -1.585  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -2.477   1.396  -1.634  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9