RDKit 3D 82 86 0 0 0 0 0 0 0 0999 V2000 4.4962 4.1073 -2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8791 3.9068 -3.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4864 2.8056 -2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 1.9099 -1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 0.8156 -1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 -0.2260 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 -1.2751 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -2.2943 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 -3.2653 1.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 -2.1863 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 -3.2142 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2068 -4.3093 1.2937 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 -3.0391 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 -2.0023 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -1.8436 -0.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -2.6186 -0.6535 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2264 -3.8144 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 -4.8239 -0.3352 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5648 -5.5190 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 -6.5110 -1.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 -4.2753 -0.4904 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7461 -3.9259 -1.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -3.0851 0.4025 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9584 -2.5987 0.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -1.9716 -0.1516 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4872 -1.1745 0.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -0.0537 1.0417 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4457 1.0860 0.7819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2713 2.1838 0.5158 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5276 3.4428 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3336 4.5623 0.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0392 5.8470 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 6.9242 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 6.1621 1.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6569 2.0851 1.0296 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2778 3.3466 1.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 1.4485 2.4189 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1030 2.3854 3.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 0.1643 2.3868 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9790 0.1947 3.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8299 -0.9845 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3508 0.1154 -1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 -1.1185 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -0.1506 -0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 0.6358 -1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 1.5293 -1.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8279 2.6497 -2.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7029 3.5205 -3.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 5.2053 -3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 3.4564 -3.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 4.0938 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5933 2.0830 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -1.3901 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 -4.6312 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -3.8755 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -3.0864 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 -5.5698 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 -6.0552 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -4.8895 -2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 -7.1904 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2944 -4.9982 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 -3.1386 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3344 -3.2801 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5915 -3.3591 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 -1.3967 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 -0.0075 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 2.2443 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 3.5953 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 3.3338 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0073 6.5207 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2546 7.1996 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 7.8159 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3541 1.4992 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1239 3.2525 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7341 1.3465 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 2.0346 3.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -0.6467 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 -0.2289 4.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 0.0904 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9866 -0.2313 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 1.3745 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 3.2815 -3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 2 0 29 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 14 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 47 3 1 0 44 6 1 0 43 10 1 0 25 16 1 0 39 27 1 0 1 49 1 0 1 50 1 0 1 51 1 0 4 52 1 0 45 80 1 0 46 81 1 0 48 82 1 0 7 53 1 0 12 54 1 0 13 55 1 0 16 56 1 6 18 57 1 1 19 58 1 0 19 59 1 0 20 60 1 0 21 61 1 1 22 62 1 0 23 63 1 1 24 64 1 0 25 65 1 6 27 66 1 6 29 67 1 6 30 68 1 0 30 69 1 0 33 70 1 0 33 71 1 0 33 72 1 0 35 73 1 6 36 74 1 0 37 75 1 1 38 76 1 0 39 77 1 1 40 78 1 0 42 79 1 0 M END