B97SQF -OEChem-04012114342D 46 50 0 0 0 0 0 0 0999 V2000 6.8497 4.5094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.8956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.2503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -2.2493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -1.7493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 4.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 2.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 -2.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 3.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -4.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 4.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9694 -3.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 -4.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 1.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 2.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 5.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -0.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -0.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 0.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 2.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -2.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 2.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -4.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 -3.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 4.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -5.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 -4.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 17 2 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$