B97OTQ -OEChem-04012114082D 38 41 0 0 0 0 0 0 0999 V2000 6.2329 2.5269 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -1.6674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -2.4722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 0.8321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 1.9888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 3.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -0.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6505 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -0.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1538 1.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1329 3.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 4.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 3.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 5 18 2 0 0 0 0 6 12 2 0 0 0 0 6 23 1 0 0 0 0 7 22 1 0 0 0 0 7 23 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 24 26 3 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 M END $$$$