REMARK  Name = BDB037213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.543   0.714  -0.884  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.817   0.029  -0.183  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.733   0.622  -1.476  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        1.004   1.087  -2.572  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.763  -0.086  -0.643  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.768  -0.681  -1.332  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.710  -1.338  -0.627  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.700  -1.449   0.761  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.652  -0.827   1.451  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.670  -0.137   0.745  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.739  -1.960  -1.301  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.747  -1.692  -2.701  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.783  -2.188   1.500  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.055  -1.473   1.573  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.184  -2.187   1.779  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.144  -1.261   1.835  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.638   0.043   1.707  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.280  -0.123   1.560  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.844   1.406  -1.678  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.580   2.825  -1.746  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.151   0.611  -2.849  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -5.318   0.709   1.250  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -4.345  -0.272   1.056  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1       -3.305  -0.072   0.142  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1       -3.204   1.132  -0.564  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.203   2.095  -0.399  0.00  0.00    +0.154 A 
ATOM     27  C   LIG    1       -5.244   1.893   0.520  0.00  0.00    +0.093 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.279   1.365   2.425  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -6.274   0.390   2.173  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -2.347  -1.048   0.016  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -2.866  -2.167  -0.715  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  26  32
ATOM     32  O   LIG    1       -4.199   3.295  -1.056  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.906   3.202  -2.295  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 9