D01IXT -OEChem-09301911122D 42 44 0 0 0 0 0 0 0999 V2000 6.3961 -1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.2621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 1.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -0.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -2.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -3.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -2.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 1.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 1.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 1.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6842 -2.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -2.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -1.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4803 2.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 2.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 24 1 0 0 0 0 5 20 1 0 0 0 0 5 25 1 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 16 19 1 0 0 0 0 18 21 2 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$