REMARK  Name = BDB051148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.682   0.338  -0.520  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.358  -0.853  -0.794  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.241  -1.403   0.138  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.455  -0.769   1.368  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        1.779   0.427   1.638  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.896   0.977   0.701  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.150   0.765  -1.518  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.843   2.000  -1.301  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.705   2.283  -2.534  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.929   1.411  -1.923  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1       -2.783   1.319  -2.686  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1       -2.533   0.412  -3.062  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1       -4.165   2.362  -1.186  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.868   0.236  -2.126  0.00  0.00    +0.100 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.053   0.232  -1.162  0.00  0.00    +0.036 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.063  -1.303   0.830  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.660  -0.175   0.232  0.00  0.00    -0.034 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        3.424  -1.354   2.371  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.846  -0.976   2.106  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        5.808  -1.744   1.576  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1        7.024  -1.145   1.476  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1        7.858  -1.567   1.099  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1        7.091   0.147   1.938  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1        8.075   0.866   1.946  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1        5.492   0.597   2.537  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1        5.661  -3.024   1.149  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1        6.518  -3.314   0.797  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10