B2IFP8 -OEChem-04022115093D 39 41 0 0 0 0 0 0 0999 V2000 3.0603 1.3661 -1.5211 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1075 0.6010 0.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7204 1.0501 0.4533 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2498 0.4807 -1.8827 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -0.3324 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.7767 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 -0.7931 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 1.2796 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 2.0004 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 2.9948 1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -1.2408 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 -2.1622 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 3.2184 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 3.7156 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 -2.6100 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 -3.0708 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -0.1876 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 0.1302 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7661 -0.2029 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -1.3854 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0246 -1.4159 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 -2.5984 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -2.6137 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 1.6322 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 0.3459 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 3.3924 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0886 -0.9126 1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 -2.5340 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 3.7940 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 4.6638 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -3.3172 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 -4.1368 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 0.7182 1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -1.3933 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3176 -1.4279 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 -3.5312 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -3.5583 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9371 1.1244 -2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 0.1114 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$