REMARK  Name = BDB016714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.854   0.230   2.191  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.636  -1.004   1.550  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.581  -1.216   0.890  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -1.604  -0.278   0.859  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.648  -0.896   0.100  0.00  0.00    +0.102 A 
ATOM      6  N   LIG    1       -2.274  -2.109  -0.340  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1       -1.395   0.954   1.507  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1       -1.044  -2.279   0.168  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.561  -3.148  -0.025  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.177   1.183   2.166  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.462   0.410  -1.687  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.979   0.746  -0.414  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.696   0.366   0.711  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        3.485   0.557   2.187  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.155   0.498   2.912  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        4.703  -0.080   2.816  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.475  -0.587   1.786  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        6.352  -1.058   1.944  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        4.937  -0.128   4.012  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.884   1.816   2.740  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.901  -0.330   0.539  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.409  -0.675  -0.696  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.670  -0.298  -1.822  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.099   0.527  -4.038  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.665   0.830  -2.719  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -3.936  -0.320  -0.206  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -4.493  -0.444  -1.431  0.00  0.00    +0.102 A 
ATOM     28  N   LIG    1       -5.734   0.121  -1.695  0.00  0.00    -0.306 N 
ATOM     29  C   LIG    1       -6.479   0.825  -0.757  0.00  0.00    +0.138 A 
ATOM     30  N   LIG    1       -7.609   1.265  -1.270  0.00  0.00    -0.236 NA
ATOM     31  C   LIG    1       -7.606   0.834  -2.572  0.00  0.00    +0.131 A 
ATOM     32  C   LIG    1       -5.927   0.939   0.547  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1       -6.462   0.126  -2.858  0.00  0.00    +0.112 A 
ATOM     34  C   LIG    1       -4.724   0.392   0.813  0.00  0.00    +0.015 A 
ENDBRANCH   5  26
TORSDOF 3