BS0OT3 -OEChem-04022113263D 52 54 0 0 0 0 0 0 0999 V2000 -0.9339 2.1070 0.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 0.0349 0.8915 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 0.3370 -0.3232 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7773 -0.2408 -0.4675 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 -0.5119 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 -0.9692 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 0.7365 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -1.1697 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 0.4766 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4476 -1.0475 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 1.1993 -1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 -1.0770 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 1.1484 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 0.9003 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1435 -0.2931 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2794 -0.2899 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6569 -1.7303 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 0.6122 -0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1966 -1.3402 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 0.9648 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 -1.1357 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 1.1694 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8239 0.1190 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9768 -1.3103 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -1.9034 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 -0.2181 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 1.5946 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 1.0241 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -1.4030 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 -2.0099 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0123 -0.3162 2.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 1.3777 2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -1.6208 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -1.5189 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 0.8405 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5121 2.2309 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 -2.1291 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 -0.7404 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 1.5997 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 1.7749 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 0.0706 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2033 -2.3410 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4884 -2.2186 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7367 -1.7520 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8857 1.6747 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 0.4413 -1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0955 0.4173 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 -2.3232 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 1.8043 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 -1.9537 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 2.1444 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8138 0.2779 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 23 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 M END $$$$