B71LYS -OEChem-04022116013D 28 29 0 0 0 0 0 0 0999 V2000 -4.7825 -0.7637 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 0.8585 0.0012 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 -0.4980 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 0.2347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3721 1.4881 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -2.0631 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9382 -1.9290 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 -0.6091 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3697 -0.2275 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 0.1154 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 -1.2094 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 1.1215 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 -0.8426 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 1.4884 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 0.5064 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 2.3294 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 -2.5751 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -2.5715 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -2.3810 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 -2.3846 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 -2.2697 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 1.9066 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 -1.6064 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 2.5385 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 1.9577 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1451 2.1379 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2261 3.3728 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 2.1359 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$