REMARK  Name = BDB018879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.006  -0.803   1.359  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        1.935  -0.417   0.549  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        1.879  -0.411  -0.948  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        0.428  -0.002  -1.218  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -0.166   0.404   0.065  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -1.455   0.889   0.247  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.940   1.160   1.350  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        0.745   0.081   1.091  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        0.588   0.201   2.462  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.642  -0.185   3.292  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.836  -0.679   2.748  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.249   1.194  -1.048  0.00  0.00    +0.166 C 
ATOM     13  N   LIG    1       -3.687   1.161  -0.818  0.00  0.00    -0.256 N 
ATOM     14  C   LIG    1       -4.339  -0.018  -0.573  0.00  0.00    +0.404 C 
ATOM     15  O   LIG    1       -3.774  -1.104  -0.579  0.00  0.00    -0.226 OA
ATOM     16  C   LIG    1       -4.291   2.467  -0.947  0.00  0.00    +0.112 C 
ATOM     17  C   LIG    1       -3.334   3.197  -1.874  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -1.967   2.640  -1.484  0.00  0.00    +0.033 C 
BRANCH  14  19
ATOM     19  O   LIG    1       -5.662   0.175  -0.346  0.00  0.00    -0.445 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -6.534  -0.939  -0.034  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1       -7.919  -0.304   0.168  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -6.117  -1.627   1.270  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -6.617  -1.927  -1.203  0.00  0.00    +0.055 C 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   6  12
BRANCH   1  28
ATOM     24  C   LIG    1        6.590  -0.997   0.237  0.00  0.00    +0.125 A 
ATOM     25  N   LIG    1        6.672  -2.241  -0.261  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        5.569  -3.016  -0.223  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        4.357  -2.600   0.292  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        4.264  -1.306   0.805  0.00  0.00    -0.013 A 
ATOM     29  C   LIG    1        5.409  -0.499   0.778  0.00  0.00    +0.052 A 
BRANCH  24  32
ATOM     30  C   LIG    1        9.926   0.683  -0.105  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        8.948  -0.454  -0.281  0.00  0.00    +0.215 C 
ATOM     32  N   LIG    1        7.704  -0.146   0.235  0.00  0.00    -0.271 N 
ATOM     33  H   LIG    1        7.575   0.769   0.638  0.00  0.00    +0.156 HD
ATOM     34  O   LIG    1        9.293  -1.481  -0.852  0.00  0.00    -0.276 OA
ENDBRANCH  24  32
ENDBRANCH   1  28
TORSDOF 5