REMARK  Name = BDB012816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.304  -0.865   1.300  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.219  -0.664   1.216  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.540   0.386   2.178  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.662   1.197   2.203  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.668   2.232   2.873  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.649   0.791   2.905  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.633  -0.351   2.705  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        1.670   2.990  -1.692  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.275   1.720  -1.173  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        1.570   1.033  -0.246  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.084  -0.121   0.234  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.319  -0.609  -0.186  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.048   0.104  -1.140  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        3.510   1.290  -1.643  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.337  -0.394  -1.595  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.391   0.406  -1.989  0.00  0.00    +0.203 A 
ATOM     17  O   LIG    1        7.463  -0.347  -2.349  0.00  0.00    -0.470 OA
ATOM     18  C   LIG    1        7.104  -1.645  -2.183  0.00  0.00    +0.195 A 
ATOM     19  C   LIG    1        5.813  -1.730  -1.718  0.00  0.00    +0.049 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.833   0.832   1.443  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -3.814   1.760   1.205  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1       -3.814   2.727   1.514  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1       -4.851   1.304   0.485  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1       -4.557   0.016   0.280  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1       -3.314  -0.328   0.868  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -5.488  -0.884  -0.482  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -6.843  -1.020   0.215  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1       -5.670  -0.420  -1.929  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4