B4Y2SQ -OEChem-04022110352D 44 47 0 0 0 0 0 0 0999 V2000 6.3981 1.2126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 3.3796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 4.1844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 -1.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -2.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 -3.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -2.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 -4.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 -4.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 3.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 4.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 11 2 0 0 0 0 4 15 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 5 42 1 0 0 0 0 6 22 2 0 0 0 0 6 26 1 0 0 0 0 7 24 1 0 0 0 0 7 25 2 0 0 0 0 8 24 1 0 0 0 0 8 26 2 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 19 2 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$