REMARK  Name = BDB012159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.076  -0.230   0.522  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -2.058   0.735   1.134  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -0.745   0.688   0.364  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.224  -0.672   0.219  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.157  -0.806   0.071  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.923   0.159   0.142  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.173  -1.682  -0.254  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -2.493  -1.647   0.505  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  19
ATOM      9  C   LIG    1       -7.524   1.912  -2.126  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.144   1.358  -0.782  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -5.836   0.890  -0.559  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.545   0.362   0.682  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -6.518   0.288   1.679  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.944  -0.270   2.812  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.385  -0.438   3.701  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -4.595  -0.550   2.551  0.00  0.00    +0.328 A 
ATOM     17  O   LIG    1       -3.810  -1.027   3.353  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -7.809   0.724   1.493  0.00  0.00    +0.028 A 
ATOM     19  N   LIG    1       -4.355  -0.172   1.210  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1       -8.120   1.260   0.240  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   5  21
ATOM     21  C   LIG    1        1.695  -2.208  -0.188  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.226  -2.266  -0.194  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.844  -1.583  -1.420  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.959  -0.639  -1.031  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1        4.580   0.499  -0.370  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        3.599   0.651  -0.133  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        5.468   1.453   0.057  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        5.122   2.462   0.660  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.882   1.183  -0.257  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        7.178  -0.002  -0.936  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        8.512  -0.279  -1.242  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        9.527   0.610  -0.875  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        9.215   1.789  -0.197  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.888   2.081   0.116  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        6.187  -0.921  -1.322  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5