BX3E9S -OEChem-04022113233D 36 40 0 0 0 0 0 0 0999 V2000 -6.4107 -0.9212 -1.0077 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 1.7754 0.8943 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 1.8832 0.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 0.1706 0.0805 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 1.5015 -0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4263 1.9293 -0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 -1.5787 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8797 -0.1911 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 -0.1990 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -1.4751 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 0.5526 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 0.6728 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 0.1069 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -0.9022 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9465 -2.4688 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -2.1731 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0477 -0.6334 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 0.3307 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4064 1.2535 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -0.8908 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5978 0.7024 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -0.2900 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.8444 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -1.7636 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9869 -2.3329 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.0865 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -3.4493 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 2.5777 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 -2.9460 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -0.0575 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 -1.5558 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 2.2735 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1518 -1.7819 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5691 1.1756 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9503 -1.3328 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7623 0.9353 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$