B8IJG3 -OEChem-04012120152D 43 47 0 0 0 0 0 0 0999 V2000 7.7166 2.0556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 3.8566 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 2.9556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3907 -2.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6536 0.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6452 -0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5837 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 2.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5494 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1502 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7059 2.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 -3.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 -3.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4095 -3.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 1.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 2.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0973 -0.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 3.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 1.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5258 -0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 -1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7615 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 2.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -3.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 -3.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3608 -4.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 18 1 0 0 0 0 4 26 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 13 2 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 17 2 0 0 0 0 13 31 1 0 0 0 0 15 21 2 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$