BEOH27 -OEChem-04012112113D 77 79 0 1 0 0 0 0 0999 V2000 -1.7585 2.6508 0.3338 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 -1.4144 0.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 3.3303 -2.6131 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 0.2138 -0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 3.6818 1.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 1.2576 0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2534 -3.0782 -2.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1977 -1.0135 -2.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 -2.1951 0.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 -2.1407 1.1379 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 0.1513 0.5728 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 3.1121 0.0399 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9854 -3.3059 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 -3.4158 2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -3.2133 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -2.2919 2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 -2.0879 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9741 -1.6062 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0645 -2.2855 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9913 -1.0788 0.5330 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3285 -0.5986 1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8835 -2.0277 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5446 0.1009 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -0.4344 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 -0.0127 1.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -1.4418 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6847 1.0555 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1642 1.2329 1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 0.2336 -1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 2.6239 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2732 2.1427 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -0.2712 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5816 1.3206 -2.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 2.2751 -1.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2496 3.7351 1.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 -1.3463 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 5.1113 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3463 -1.7666 -2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0895 2.7974 -1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -4.2243 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5469 -3.4309 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 -4.3777 2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -3.0978 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6686 -4.1658 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 -2.5173 2.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 -1.3379 2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 -1.1136 -0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5836 -2.1525 -1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 -2.0402 2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8476 -2.4172 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6079 -3.1857 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0444 -0.7961 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -0.2319 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -2.8244 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 0.7814 2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 -1.9989 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8857 -0.6347 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3485 0.9567 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7766 1.0411 2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2549 1.1758 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6519 -0.5031 -2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7388 2.6967 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 2.7755 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 1.4097 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 3.6179 2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3247 3.6578 2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 -2.2718 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -0.9466 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5134 4.0586 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 5.8906 2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 5.2317 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 5.2700 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 3.2518 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 3.8135 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 2.0624 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 2.5954 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9468 -3.3423 -3.3657 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 12 1 0 0 0 0 1 39 1 0 0 0 0 2 20 1 0 0 0 0 2 57 1 0 0 0 0 3 34 1 0 0 0 0 3 73 1 0 0 0 0 4 32 2 0 0 0 0 7 38 1 0 0 0 0 7 77 1 0 0 0 0 8 38 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 10 49 1 0 0 0 0 11 24 1 0 0 0 0 11 28 1 0 0 0 0 11 32 1 0 0 0 0 12 31 1 0 0 0 0 12 69 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 21 53 1 0 0 0 0 22 26 2 0 0 0 0 22 54 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 35 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 34 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 38 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 M END $$$$