REMARK  Name = BDB028684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.300   0.742  -1.168  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.765   0.467  -0.272  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.089  -0.849  -0.540  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.097  -1.563   0.101  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.816  -0.875   1.091  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.499   0.467   1.393  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.271  -1.324  -1.516  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.484   1.166   0.716  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.606  -0.328  -1.909  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.940   1.970  -1.249  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.737   2.660  -0.527  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.380   2.232  -2.044  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.842   3.550  -1.654  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.196   1.921  -3.448  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -5.090  -0.747  -1.672  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1       -4.185   0.179  -2.193  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1       -3.500   1.055  -1.342  0.00  0.00    +0.153 A 
ATOM     18  C   LIG    1       -3.716   1.005   0.035  0.00  0.00    +0.144 A 
ATOM     19  C   LIG    1       -4.619   0.081   0.559  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -5.305  -0.793  -0.293  0.00  0.00    +0.049 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.612  -2.519  -2.130  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.695  -1.541  -2.606  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  18  23
ATOM     23  O   LIG    1       -3.044   1.838   0.881  0.00  0.00    -0.505 OA
ATOM     24  H   LIG    1       -3.434   1.775   1.770  0.00  0.00    +0.292 HD
ENDBRANCH  18  23
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.123   2.464   0.961  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.068   3.262   1.669  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        3.926  -1.577   1.844  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.226  -0.983   1.562  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        5.757  -0.080   2.415  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.931   0.227   1.857  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.157  -0.476   0.659  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.037  -1.256   0.495  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8