L5S2QC -OEChem-05022322163D 32 34 0 0 0 0 0 0 0999 V2000 1.1881 3.0588 0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 -1.2657 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1192 0.9892 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 1.4869 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 0.4738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 0.4793 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 0.4166 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4497 1.5355 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 0.8869 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 0.6738 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 -0.3849 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 -0.8993 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5787 -0.0550 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -1.7007 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 -1.9580 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 2.2507 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 -1.4165 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 -2.2851 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 -0.1173 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -1.7732 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 -0.3960 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 2.3941 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 1.7017 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3664 -1.1686 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3635 -2.5555 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 -2.9829 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 2.8155 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -1.8233 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 -3.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 -2.4314 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 0.0537 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -1.0828 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 19 1 0 0 0 0 2 32 1 0 0 0 0 3 19 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 13 1 0 0 0 0 6 21 2 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 9 13 1 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$