B8RKI5 -OEChem-04022105582D 42 45 0 0 0 0 0 0 0999 V2000 7.0878 -2.3495 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2277 3.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -1.0405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 -0.7315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -1.5405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 -2.3452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 -0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2957 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -2.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 0.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5849 1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2062 3.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 0.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6883 -0.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -1.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 2.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1916 1.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3341 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8129 3.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0784 3.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 0.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 0.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -0.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$