B95TAH -OEChem-04042103553D 33 33 0 0 0 0 0 0 0999 V2000 2.9069 -0.9233 1.0708 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.7988 -1.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 0.4574 -0.8775 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -2.7224 0.7615 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8164 0.1490 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 0.4235 -1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 1.2255 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -0.4776 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 0.6264 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -0.6743 -0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 0.7307 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 1.6516 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -1.4595 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9334 0.9575 1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 1.8344 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6254 -0.8280 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 0.0913 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 1.3920 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -0.3477 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0063 2.2092 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8755 1.2651 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 1.3475 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 1.6343 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 2.6124 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 1.4146 1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -0.0067 2.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9336 1.7375 2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 0.9474 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 0.9033 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3249 2.6057 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 2.1391 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -3.0676 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.3794 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 13 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$