REMARK  Name = BDB028567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.076   1.796  -0.115  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.817   3.019  -0.281  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1        1.753   2.762  -0.363  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.528   0.792  -1.184  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.944   0.531  -1.049  0.00  0.00    -0.448 OA
BRANCH   5   7
ATOM      6  O   LIG    1        1.481  -0.928   0.642  0.00  0.00    -0.226 OA
ATOM      7  C   LIG    1        2.285  -0.387  -0.105  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        3.653  -0.620  -0.070  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        4.196  -1.503   0.963  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1        5.446  -0.932   1.592  0.00  0.00    +0.185 C 
ATOM     11  S   LIG    1        6.741  -0.815   0.377  0.00  0.00    -0.028 S 
ATOM     12  O   LIG    1        7.428   0.446   0.584  0.00  0.00    -0.174 OA
ATOM     13  O   LIG    1        7.472  -2.068   0.384  0.00  0.00    -0.174 OA
ATOM     14  C   LIG    1        5.878  -0.711  -1.173  0.00  0.00    +0.185 C 
ATOM     15  C   LIG    1        4.579   0.041  -0.995  0.00  0.00    +0.133 C 
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.427   2.123  -0.218  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.329   0.959  -0.181  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1       -3.706   1.385  -0.507  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -4.737   0.285  -0.363  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -4.479  -0.845   0.432  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.460  -1.835   0.575  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.700  -1.692  -0.045  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.967  -0.564  -0.817  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.126  -1.019   1.072  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -5.992   0.422  -0.973  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.324   0.289   1.130  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6