REMARK  Name = BDB029514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.767   0.367   0.482  0.00  0.00    +0.168 A 
ATOM      2  S   LIG    1        2.592   1.977   1.000  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        0.993   1.637   1.536  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.708   0.295   1.271  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.554  -0.219   1.625  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -1.498   0.631   2.214  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.187   1.963   2.494  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.062   2.490   2.152  0.00  0.00    +0.018 A 
ATOM      9  N   LIG    1        1.733  -0.416   0.670  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.828   0.120   2.614  0.00  0.00    +0.247 C 
ATOM     11  N   LIG    1       -3.610  -0.512   1.666  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -3.399  -0.562   0.221  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -4.791  -0.844  -0.367  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -4.710  -1.646  -1.655  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -3.682  -2.171  -2.071  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -5.885  -1.758  -2.355  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -5.801  -2.294  -3.210  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -6.822  -0.762  -2.444  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -7.557  -0.674  -3.424  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -6.912   0.194  -1.279  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -5.544   0.462  -0.666  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -5.435  -1.682   0.754  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -4.910  -1.040   2.030  0.00  0.00    +0.109 C 
ATOM     24  O   LIG    1       -3.195   0.300   3.772  0.00  0.00    -0.270 OA
ENDBRANCH   6  10
BRANCH   1  26
ATOM     25  C   LIG    1        5.057   0.574  -0.367  0.00  0.00    +0.407 C 
ATOM     26  N   LIG    1        3.910  -0.105  -0.100  0.00  0.00    -0.230 N 
ATOM     27  H   LIG    1        3.892  -1.079  -0.359  0.00  0.00    +0.160 HD
ATOM     28  O   LIG    1        5.308   1.747  -0.149  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1        5.923  -0.300  -0.945  0.00  0.00    -0.444 OA
BRANCH  29  31
ATOM     30  C   LIG    1        7.891  -1.144  -1.949  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.251   0.120  -1.354  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        7.186   1.194  -2.446  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        8.088   0.572  -0.152  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH   1  26
TORSDOF 4