74 MOL M001 0 1 2 4.2011 -2.6727 1.6133 C1 2 1 5.5848 -2.9043 3.7126 C2 3 1 3.8408 -1.0906 3.5418 C3 4 1 5.2143 -1.4737 4.0917 C4 5 1 3.6879 -1.2781 2.0027 C5 6 1 5.5308 -3.1025 2.1979 C6 7 13 4.9024 -3.6099 4.2002 H7 8 13 3.0909 -1.6984 4.0608 H8 9 13 5.9818 -0.7774 3.7348 H9 10 13 6.3413 -2.5407 1.7196 H10 11 13 3.6400 -0.0498 3.8205 H11 12 13 5.2157 -1.3713 5.1829 H12 13 13 5.7474 -4.1533 1.9737 H13 14 1 2.1579 -1.1212 1.6338 C14 15 1 0.1405 0.4882 1.3884 C15 16 1 0.3700 -1.4743 -0.1102 C16 17 1 -0.0526 0.0026 -0.0522 C17 18 1 1.8523 -1.6830 0.2139 C18 19 1 1.5989 0.3134 1.8460 C19 20 13 -0.5090 -0.0753 2.0680 H20 21 13 -0.1991 -2.0216 0.6499 H21 22 13 2.4615 -1.1529 -0.5272 H22 23 13 2.2148 1.0489 1.3159 H23 24 13 1.5969 -1.7544 2.3306 H24 25 13 -0.1520 1.5402 1.4834 H25 26 13 1.6536 0.5778 2.9082 H26 27 1 4.5549 -0.2271 1.2688 C27 28 13 5.6274 -0.3845 1.4311 H28 29 13 4.3418 0.7894 1.6187 H29 30 13 4.3932 -0.2512 0.1851 H30 31 2 3.5239 -3.5001 0.7970 C31 32 13 3.9303 -4.4918 0.5679 H32 33 1 2.2194 -3.1728 0.1418 C33 34 13 1.4433 -3.7853 0.6148 H34 35 13 2.2673 -3.4789 -0.9095 H35 36 8 6.9039 -3.1884 4.1744 O36 37 13 6.9044 -3.0763 5.1258 H37 38 1 -1.5156 -0.1167 -0.5045 C38 39 13 -2.1502 -0.4679 0.3172 H39 40 1 -0.1636 -1.9492 -1.4567 C40 41 13 -0.3243 -3.0331 -1.4780 H41 42 13 0.5240 -1.7004 -2.2731 H42 43 1 -1.4886 -1.1842 -1.6148 C43 44 13 -2.3495 -1.8557 -1.5198 H44 45 13 -1.5414 -0.7214 -2.6069 H45 46 1 0.6983 0.9318 -1.0349 C46 47 13 0.5544 0.6402 -2.0816 H47 48 13 1.7796 0.9542 -0.8573 H48 49 13 0.3320 1.9602 -0.9380 H49 50 1 -2.1050 1.2057 -1.0025 C50 51 13 -1.4948 1.5897 -1.8280 H51 52 1 -3.5372 0.9740 -1.4913 C52 53 13 -3.5305 0.2457 -2.3103 H53 54 13 -4.1474 0.5899 -0.6658 H54 55 1 -4.1267 2.2964 -1.9893 C55 56 13 -3.5165 2.6805 -2.8148 H56 57 1 -5.5589 2.0647 -2.4781 C57 58 13 -5.5521 1.3364 -3.2971 H58 59 13 -6.1691 1.6807 -1.6526 H59 60 13 -4.1334 3.0247 -1.1703 H60 61 1 -2.1145 2.2231 0.1415 C61 62 13 -2.7246 1.8390 0.9670 H62 63 13 -2.5364 3.1697 -0.2150 H63 64 13 -1.0891 2.3889 0.4914 H64 65 1 -6.1483 3.3871 -2.9761 C65 66 13 -6.1551 4.1154 -2.1571 H66 67 1 -5.2960 3.9236 -4.1292 C67 68 13 -5.2892 3.1953 -4.9481 H68 69 13 -4.2707 4.0894 -3.7792 H69 70 13 -5.7179 4.8702 -4.4857 H70 71 1 -7.5806 3.1555 -3.4649 C71 72 13 -7.5738 2.4271 -4.2839 H72 73 13 -8.0025 4.1021 -3.8214 H73 74 13 -8.1907 2.7714 -2.6394 H74 77 MOL 1 2 7 1 2 1 5 1 3 1 6 1 4 2 4 1 5 2 6 1 6 3 8 1 7 3 11 1 8 3 5 1 9 3 4 1 10 4 9 1 11 4 12 1 12 6 10 1 13 6 13 1 14 14 24 1 15 14 18 1 16 14 19 1 17 15 20 1 18 15 25 1 19 15 17 1 20 15 19 1 21 16 21 1 22 16 18 1 23 16 17 1 24 18 22 1 25 19 23 1 26 19 26 1 27 5 14 1 28 27 28 1 29 27 29 1 30 27 30 1 31 5 27 1 32 31 32 1 33 1 31 2 34 33 34 1 35 33 35 1 36 31 33 1 37 33 18 1 38 36 37 1 39 2 36 1 40 38 39 1 41 17 38 1 42 40 41 1 43 40 42 1 44 16 40 1 45 43 44 1 46 43 45 1 47 40 43 1 48 38 43 1 49 46 47 1 50 46 48 1 51 46 49 1 52 17 46 1 53 50 51 1 54 38 50 1 55 52 53 1 56 52 54 1 57 50 52 1 58 55 56 1 59 52 55 1 60 57 58 1 61 57 59 1 62 55 57 1 63 55 60 1 64 61 62 1 65 61 63 1 66 61 64 1 67 50 61 1 68 65 66 1 69 57 65 1 70 67 68 1 71 67 69 1 72 67 70 1 73 65 67 1 74 71 72 1 75 71 73 1 76 71 74 1 77 65 71 1 0 MOL