B3DTN0 -OEChem-04042104183D 54 56 0 0 0 0 0 0 0999 V2000 -5.8060 -0.0709 1.1616 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 0.4854 1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 2.1319 -2.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9725 -1.5145 1.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 0.6181 2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9538 -2.7567 -0.2371 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9821 -1.7167 -1.8742 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1941 -0.5895 0.6893 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 1.0533 -0.5353 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -1.7140 -0.8810 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8790 -0.7824 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 0.1482 -1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 -1.0282 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 1.4030 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 0.2564 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 -0.2356 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 -0.0962 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7111 -1.4804 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3397 0.6057 0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8396 -0.8056 -1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -0.2923 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 1.4640 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 1.0783 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 -0.1201 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4241 1.9111 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 -0.4859 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 0.3470 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6562 1.5455 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9987 0.6413 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -1.7784 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 -0.4015 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 0.4411 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -1.6837 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -1.5583 1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 2.0459 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 1.9847 -2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 -0.0107 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 0.8911 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -0.9618 2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 0.5892 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 -1.7931 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0785 -2.3849 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1219 0.8980 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9595 1.5251 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4343 0.0372 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2705 -1.5106 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 0.2615 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4419 -1.1431 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 -0.7668 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9639 2.8478 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1287 2.2167 1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9951 0.4221 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8458 1.7215 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8825 0.1977 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 1 29 1 0 0 0 0 2 16 2 0 0 0 0 3 22 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 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 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$