B98FSH -OEChem-04012114312D 53 54 0 1 0 0 0 0 0999 V2000 6.8909 -3.1672 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -3.8717 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -4.5762 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -2.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 0.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 0.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -3.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -2.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -3.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -3.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -4.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -2.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -5.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -3.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -5.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.3852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.6537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -0.7026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 -1.6537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 -0.1148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -2.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -1.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -1.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 0.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -2.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -3.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -3.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 3.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 4.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 4.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 3.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 5.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 6.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 5.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -1.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -5.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2599 -5.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 -3.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 22 5 1 1 0 0 0 5 39 1 0 0 0 0 21 6 1 1 0 0 0 6 40 1 0 0 0 0 7 25 1 0 0 0 0 8 26 2 0 0 0 0 9 27 2 0 0 0 0 11 50 1 0 0 0 0 14 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 24 19 1 6 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 26 1 0 0 0 0 20 28 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 25 1 6 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 42 1 0 0 0 0 30 31 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$