D0I2UC -OEChem-10101305022D 44 47 0 1 0 0 0 0 0999 V2000 4.8919 -1.8790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 1.5349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.2698 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0829 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 1.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 1.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 -0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9160 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0181 0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 -0.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 -1.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0627 -0.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 0.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -1.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -2.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0209 -2.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 -0.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 1.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 2.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 2.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -0.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 -0.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8090 0.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 2.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 0.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5054 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1087 3.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 31 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 14 2 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 2 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$