D0A5JS -OEChem-09301911323D 89 93 0 1 0 0 0 0 0999 V2000 3.1282 -6.4543 -0.8368 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 -5.3410 3.0506 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 -4.1972 0.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 -1.6935 -2.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 2.7936 -1.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7037 7.4262 0.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9998 -0.4194 0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 -2.4932 -0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 -1.4470 1.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 1.3722 -0.2756 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 0.5169 -1.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 5.2069 1.1527 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5202 0.5248 0.8947 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7892 0.0019 0.0419 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7439 -0.8588 -1.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9447 -0.5856 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 -2.3115 -0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 2.4340 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 -2.9023 0.2373 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3492 -2.0244 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3847 -0.7546 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 3.1430 1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 3.4342 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 1.6504 -1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3319 4.5988 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 4.3107 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 0.7173 -2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -5.0611 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 0.4122 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 6.5739 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 -6.0338 1.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1494 -5.7734 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0127 -0.9122 -1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 1.4531 -1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -1.1957 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 1.1695 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 -0.1548 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9538 1.6962 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5911 2.3438 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8142 0.1878 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8019 -0.1335 1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6004 1.9810 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 0.5235 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3465 -0.2278 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 -3.4968 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 0.0236 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 -0.4655 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 0.0188 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 -0.5492 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0233 -2.9471 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1868 -2.3573 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 2.0071 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 -2.9687 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -2.0450 1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 -2.4298 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 3.8540 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 2.9296 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 2.4367 2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 3.5387 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 4.8586 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 3.9456 2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 4.2497 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7011 5.3459 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 0.0788 -3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 1.7453 -2.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -4.4971 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 6.8595 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7107 -5.0727 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 -6.7429 2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 -6.5878 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -6.4903 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 -1.6869 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 2.4895 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 2.0099 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6181 1.9003 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4181 2.1409 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7877 -0.2469 0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4877 -0.2694 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1982 2.0040 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7016 3.4321 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6287 2.4224 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9286 2.3998 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1614 0.2258 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6751 -1.2178 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9136 1.2802 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 0.9712 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -3.4785 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -3.4379 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -4.4665 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 31 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 21 2 0 0 0 0 5 24 2 0 0 0 0 6 30 2 0 0 0 0 7 37 1 0 0 0 0 7 43 1 0 0 0 0 8 35 1 0 0 0 0 8 45 1 0 0 0 0 9 44 2 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 11 21 1 0 0 0 0 11 24 1 0 0 0 0 11 27 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 30 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 22 26 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 67 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 68 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 72 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 42 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 M END $$$$