L1ISV3 -OEChem-05022323262D 54 58 0 1 0 0 0 0 0999 V2000 6.0694 -1.8914 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 4.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4889 0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 -1.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7834 0.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 -2.6001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 1.7436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1211 1.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9573 3.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 1.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 2.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3751 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4761 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 -1.1400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4546 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0376 -3.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4781 -4.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5201 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 0.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4041 2.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 3.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 3.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 2.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 0.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6971 0.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 1.6517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 0.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 2.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 2.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 4.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -1.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0742 -0.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 0.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 0.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 0.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 -0.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 -1.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 -4.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5394 -3.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9643 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -5.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -4.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 42 1 0 0 0 0 3 17 2 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 41 1 0 0 0 0 6 19 1 0 0 0 0 6 22 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 1 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 1 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 1 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 M END $$$$