B2UT0F -OEChem-04012113013D 39 41 0 0 0 0 0 0 0999 V2000 -1.1971 -1.2906 -0.1594 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -3.6387 -0.5592 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -0.4395 0.4425 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 0.2369 0.4207 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 2.7059 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 1.8250 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 4.1091 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 0.4278 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -1.6844 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 -1.9942 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 -1.0025 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 4.9775 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 0.3428 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -2.8130 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 0.3529 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 -3.9362 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 0.0533 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 0.6620 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5759 0.0628 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3769 0.6714 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1713 0.3718 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 2.7704 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6884 2.2459 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 2.2678 1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.7742 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 4.5856 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 4.0469 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 5.0857 -1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 4.5447 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 5.9765 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 1.0879 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 0.6449 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -2.8020 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -4.9194 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7329 -0.1898 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 0.8959 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1945 -0.1708 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8407 0.9117 -2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2536 0.3790 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$