@MOLECULE 5816 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7394 -2.1169 -1.0894 O.3 1 LIG1 -0.3859 2 O -2.2941 1.0781 -1.7979 O.3 1 LIG1 -0.5033 3 O -3.6584 0.5842 0.5722 O.3 1 LIG1 -0.5033 4 N 2.6359 1.0243 0.7030 N.3 1 LIG1 -0.3162 5 C 1.6787 -1.1447 -0.0373 C.3 1 LIG1 0.0927 6 C 0.2684 -0.6866 0.1208 C.ar 1 LIG1 -0.0143 7 C 2.6376 0.0193 -0.3576 C.3 1 LIG1 0.0258 8 C -0.3658 -0.0099 -0.9212 C.ar 1 LIG1 -0.0109 9 C -0.4164 -0.9343 1.3105 C.ar 1 LIG1 -0.0524 10 C -1.6849 0.4191 -0.7732 C.ar 1 LIG1 0.1586 11 C -1.7353 -0.5053 1.4585 C.ar 1 LIG1 -0.0162 12 C -2.3696 0.1713 0.4166 C.ar 1 LIG1 0.1582 13 C 3.5645 2.1013 0.3950 C.3 1 LIG1 -0.0157 14 H 2.0210 -1.6511 0.8741 H 1 LIG1 0.0656 15 H 2.3808 0.4742 -1.3225 H 1 LIG1 0.0453 16 H 3.6478 -0.3931 -0.4831 H 1 LIG1 0.0453 17 H 0.1501 0.1801 -1.8589 H 1 LIG1 0.0659 18 H 0.0640 -1.4598 2.1315 H 1 LIG1 0.0622 19 H 2.9013 0.5888 1.5858 H 1 LIG1 0.1217 20 H -2.2571 -0.7050 2.3907 H 1 LIG1 0.0655 21 H 2.6646 -2.4067 -1.1652 H 1 LIG1 0.2103 22 H 3.2862 2.6124 -0.5325 H 1 LIG1 0.0388 23 H 4.5925 1.7346 0.3078 H 1 LIG1 0.0388 24 H 3.5401 2.8441 1.1985 H 1 LIG1 0.0388 25 H -3.2008 1.2997 -1.5231 H 1 LIG1 0.2923 26 H -3.9690 0.3259 1.4570 H 1 LIG1 0.2923 @BOND 1 1 5 1 2 1 21 1 3 2 10 1 4 2 25 1 5 3 12 1 6 3 26 1 7 4 7 1 8 4 13 1 9 4 19 1 10 5 6 1 11 5 7 1 12 5 14 1 13 6 8 ar 14 6 9 ar 15 7 15 1 16 7 16 1 17 8 10 ar 18 8 17 1 19 9 11 ar 20 9 18 1 21 10 12 ar 22 11 12 ar 23 11 20 1 24 13 22 1 25 13 23 1 26 13 24 1