REMARK  Name = BDB037179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.744  -1.330   2.335  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.555  -0.607   3.016  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.084  -1.594   1.231  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.196  -2.423   0.377  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.337  -0.769   1.140  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -2.354  -1.336   0.443  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.501  -0.637   0.324  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -3.703   0.618   0.888  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -2.634   1.187   1.591  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.435   0.491   1.721  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.546  -1.186  -0.392  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -4.231  -2.449  -0.975  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -4.991   1.372   0.710  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -4.893   2.322  -0.388  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -4.482   3.588  -0.152  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -4.528   4.163  -1.357  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -4.971   3.279  -2.358  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -5.204   2.095  -1.700  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.280  -1.959   2.515  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1        2.869  -1.211   3.610  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.133  -3.394   2.607  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        3.841  -2.387   0.278  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        3.116  -1.468   1.036  0.00  0.00    +0.192 A 
ATOM     24  C   LIG    1        3.020  -0.132   0.600  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1        3.564   0.283  -0.637  0.00  0.00    -0.000 A 
ATOM     26  C   LIG    1        4.303  -0.667  -1.362  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        4.456  -1.977  -0.906  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        3.400   1.687  -1.185  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1        2.019   2.269  -1.388  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        2.845   1.892  -2.578  0.00  0.00    +0.009 C 
ENDBRANCH  25  28
BRANCH  22  32
ATOM     31  C   LIG    1        3.277  -4.598  -0.036  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        4.067  -3.664   0.705  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
BRANCH  24  33
ATOM     33  O   LIG    1        2.333   0.790   1.361  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        3.247   1.594   2.117  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9