B3FQR9 -OEChem-04022102233D 41 42 0 0 0 0 0 0 0999 V2000 0.0034 1.4139 -0.0026 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3902 2.1412 1.1921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 2.1374 -1.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2593 0.3305 -0.4278 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 0.3254 0.4188 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -0.2959 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0497 -0.2925 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 -1.6916 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 0.6065 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.6904 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 0.6140 -1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 -1.6546 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 0.6316 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -1.6589 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 0.6334 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -0.7751 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 -0.7750 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -0.4114 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -0.4026 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -2.2777 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -2.2199 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 0.2365 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 1.6327 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6502 -2.2801 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -2.2123 -1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 0.2513 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 1.6409 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 -1.2834 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 -2.6730 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 1.2118 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 1.1438 -0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 -1.2948 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9368 -2.6781 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1657 1.2174 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 1.1391 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2745 -1.2323 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.7215 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2805 -1.2257 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4786 -0.7259 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -0.2230 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 -0.2303 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 M END $$$$