REMARK  Name = BDB037190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.122   1.193   1.000  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.494   1.750  -0.230  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.063   1.515  -1.049  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.726   1.354   2.047  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.746  -0.555  -0.456  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -3.340  -1.216   0.619  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -2.761  -1.049   1.885  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.625  -0.262   2.032  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.103   0.341   0.897  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -1.637   0.209  -0.352  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -2.726   0.062  -2.724  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1       -3.334  -0.713  -1.695  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.586  -2.042   0.453  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.777  -1.257   0.742  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.268  -1.215   1.999  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.343  -0.431   1.891  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.550   0.019   0.575  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.523  -0.538  -0.150  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.774   2.753  -0.510  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        1.749   3.844   0.439  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.759   3.014  -1.936  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.175   1.717  -0.172  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        3.706   0.927  -1.200  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        4.811   0.146  -0.908  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        5.580  -0.746  -1.832  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1        6.375  -1.597  -0.831  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        6.601  -0.721   0.410  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1        5.393   0.163   0.366  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        4.887   0.962   1.378  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        3.766   1.747   1.104  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 6