REMARK  Name = BDB016287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.379  -2.643   0.345  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.596  -1.126   0.354  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.321  -0.487   0.062  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.549  -0.981   0.512  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.161   0.903   0.256  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -2.221   1.844   0.302  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.938   3.200   0.570  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.637   3.660   0.728  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.416   2.770   0.597  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -3.598   1.596   0.113  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.225   2.378   0.261  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.291   0.514  -0.320  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.519   0.607  -0.420  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.178   1.408   0.340  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -3.590  -0.741  -0.718  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.353   0.553   0.150  0.00  0.00    +0.138 A 
ATOM     17  O   LIG    1        2.371   0.729   1.046  0.00  0.00    -0.455 OA
ATOM     18  C   LIG    1        3.358  -0.146   0.710  0.00  0.00    +0.136 A 
ATOM     19  C   LIG    1        2.989  -0.887  -0.406  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        3.889  -1.846  -0.904  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.119  -2.015  -0.253  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.453  -1.250   0.868  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.572  -0.290   1.377  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        1.695  -0.427  -0.762  0.00  0.00    +0.058 A 
ENDBRANCH  14  16
TORSDOF 1