L7MS1F -OEChem-05022323262D 50 54 0 0 0 0 0 0 0999 V2000 9.0484 -1.1803 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.5685 1.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9431 -0.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 1.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3027 -1.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0272 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3666 1.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2979 0.3820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7147 -1.9260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 0.7678 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.5896 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3854 2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6397 1.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2769 0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0063 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6767 0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6515 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6936 -1.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 -0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9857 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 -0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3388 -2.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3599 -2.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0011 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3523 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 -0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9612 2.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0589 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1526 2.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3465 1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7624 2.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8849 0.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 -0.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2585 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -1.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -2.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 0.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 1.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7519 -2.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1660 -3.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -1.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 1.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -0.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 38 1 0 0 0 0 3 15 2 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 39 1 0 0 0 0 10 20 1 0 0 0 0 10 43 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 26 2 0 0 0 0 19 41 1 0 0 0 0 20 28 2 0 0 0 0 21 25 2 0 0 0 0 21 30 1 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 24 42 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 47 1 0 0 0 0 29 45 1 0 0 0 0 30 33 2 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$