REMARK  Name = BDB002759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.012   0.617   1.961  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -0.199   1.371   0.829  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        0.441   1.244   0.054  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.748   0.627   2.926  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.263  -0.280   1.909  0.00  0.00    +0.264 C 
BRANCH   5   7
ATOM      6  C   LIG    1        0.052  -2.437   2.530  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1        0.940  -1.735   1.502  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1        0.331  -1.854   0.102  0.00  0.00    +0.011 C 
ENDBRANCH   5   7
BRANCH   5   9
ATOM      9  O   LIG    1        2.180   0.298   0.955  0.00  0.00    -0.448 OA
BRANCH   9  10
ATOM     10  C   LIG    1        3.505   0.073   1.179  0.00  0.00    +0.347 C 
ATOM     11  O   LIG    1        3.941  -0.584   2.116  0.00  0.00    -0.244 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.328   0.706   0.162  0.00  0.00    +0.096 A 
ATOM     13  S   LIG    1        3.665   1.606  -1.141  0.00  0.00    -0.090 S 
ATOM     14  C   LIG    1        5.210   1.950  -1.785  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        6.219   1.396  -1.032  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        5.710   0.679   0.089  0.00  0.00    +0.022 A 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -1.395   2.151   0.624  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.359   1.411  -0.267  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1       -3.239   0.465   0.287  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1       -4.080  -0.218  -0.565  0.00  0.00    +0.167 A 
ATOM     21  O   LIG    1       -4.987  -1.162  -0.199  0.00  0.00    -0.453 OA
ATOM     22  C   LIG    1       -5.552  -1.507  -1.481  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1       -4.972  -0.774  -2.580  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -4.070   0.002  -1.922  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1       -3.218   0.915  -2.504  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -2.351   1.623  -1.665  0.00  0.00    +0.009 A 
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7