REMARK  Name = BDB037249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.006  -2.396  -0.221  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1        0.537  -2.557  -1.050  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.123  -1.264   0.530  0.00  0.00    +0.256 C 
ATOM      4  O   LIG    1       -0.708  -0.830   1.319  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.367  -0.485   0.284  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.323   0.903   0.452  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        2.463   1.670   0.210  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.656   1.075  -0.225  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        3.695  -0.322  -0.371  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.561  -1.098  -0.114  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.403   3.035   0.308  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        2.258   3.449   1.669  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.890   1.903  -0.498  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.632   2.199   0.722  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.753   3.474   1.154  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.522   3.372   2.240  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.915   2.047   2.498  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.336   1.311   1.492  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.452  -3.240  -0.286  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -1.584  -3.776   1.052  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.206  -4.098  -1.540  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.004  -4.722  -1.675  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1       -5.054  -0.544  -1.103  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -3.792  -0.165  -1.569  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -2.675  -0.993  -1.374  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -2.833  -2.193  -0.658  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -4.102  -2.588  -0.217  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -5.207  -1.768  -0.455  0.00  0.00    +0.092 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.099   1.497  -1.744  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.213   0.168  -1.250  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -1.435  -0.719  -1.888  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -1.257   0.479  -2.635  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -4.277  -3.830   0.331  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -4.881  -3.778   1.626  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9