REMARK  Name = BDB037259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.231   0.539  -1.273  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -0.888   0.092  -0.632  0.00  0.00    -0.221 N 
ATOM      3  H   LIG    1       -0.853  -0.642   0.055  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1        0.229   1.265  -2.261  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.896  -0.362  -1.072  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        4.034  -0.732   0.278  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.917  -0.661   1.130  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.675  -0.250   0.649  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.532   0.092  -0.699  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.647   0.045  -1.551  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.949   0.000  -3.184  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        5.035  -0.433  -1.831  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.365  -1.165   0.848  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.014  -0.073   1.562  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.891   0.028   2.905  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.619   1.106   3.206  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.213   1.689   2.072  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.809   0.900   1.022  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.401   0.235  -1.356  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.337  -0.759  -2.405  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.595   1.750  -1.513  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -1.808   2.110  -2.066  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -3.648  -0.298  -0.213  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1       -4.936  -0.584  -0.694  0.00  0.00    +0.145 A 
ATOM     25  C   LIG    1       -5.922  -1.107   0.164  0.00  0.00    -0.007 A 
ATOM     26  C   LIG    1       -7.293  -1.464  -0.337  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -5.620  -1.273   1.521  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -4.354  -0.952   2.010  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -3.373  -0.451   1.149  0.00  0.00    +0.142 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.241  -0.425  -2.020  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -5.805   0.865  -2.271  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  29  32
ATOM     32  O   LIG    1       -2.136  -0.181   1.674  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -2.166   1.057   2.397  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 8