B3TS1F -OEChem-04042107433D 55 58 0 1 0 0 0 0 0999 V2000 -4.7882 -0.0898 -1.3281 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7993 -1.1390 1.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 0.7499 -2.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3718 -1.2717 -1.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 0.1251 2.5101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -1.8207 -1.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -4.4636 -1.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 -0.4203 0.2752 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 -3.5271 -0.0149 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 -1.3008 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8362 -0.4477 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -1.2500 0.7699 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0788 0.9220 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0966 0.9939 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 0.2080 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.3391 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 -2.2085 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9907 1.5865 -1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0545 1.7538 1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9592 2.3542 -0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9911 2.4375 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 -0.6526 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2397 0.7245 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 -1.5341 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 0.3383 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 1.2198 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3166 -1.0387 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 0.8523 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 1.0970 -1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7909 1.1037 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3645 1.5929 -1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0419 1.5997 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3286 1.8443 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -2.0333 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2393 -1.8660 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 0.1438 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 0.2779 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 -1.8531 1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3460 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 0.2427 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9644 1.5212 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0884 1.8252 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6985 2.8953 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7551 3.0421 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -3.8803 0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4677 1.4447 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9053 -2.6076 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 2.2961 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1152 -1.7398 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -4.6825 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3733 0.9067 -2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 0.9187 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 1.7833 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7929 1.7956 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3026 2.2305 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 5 15 2 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 50 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 17 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$