REMARK  Name = BDB028579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.501   1.379  -0.102  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.937   1.269  -0.035  0.00  0.00    -0.447 OA
BRANCH   2   4
ATOM      3  O   LIG    1       -0.794  -0.950  -0.474  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1       -1.482   0.021  -0.186  0.00  0.00    +0.407 C 
ATOM      5  N   LIG    1       -2.878   0.040  -0.005  0.00  0.00    -0.237 N 
ATOM      6  C   LIG    1       -3.732  -1.098  -0.252  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -5.137  -0.942  -0.252  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -5.982  -2.033  -0.534  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -5.454  -3.293  -0.786  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.078  -3.470  -0.758  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.781   0.392   0.007  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -4.894   1.221   0.907  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -3.231  -2.387  -0.494  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.516   1.328   0.283  0.00  0.00    +0.117 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.041   1.657   1.302  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.831   0.515   2.142  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1        1.184   0.725   3.022  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        2.523   2.119   1.341  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.608   1.285   0.805  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.853   1.491  -0.638  0.00  0.00    +0.127 C 
ATOM     21  C   LIG    1        4.935   0.579  -1.139  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.395  -0.539  -0.472  0.00  0.00    -0.035 A 
ATOM     23  C   LIG    1        6.403  -1.219  -1.215  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        6.662  -0.596  -2.418  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.853  -0.893   0.877  0.00  0.00    +0.051 C 
ATOM     26  S   LIG    1        5.696   0.800  -2.645  0.00  0.00    -0.100 S 
ATOM     27  C   LIG    1        3.529  -0.143   1.165  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6