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0 0 0 0 0 6.7787 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 -1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3853 -2.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0629 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2736 3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 1.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7787 -2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3267 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2612 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 4.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8515 3.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6263 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2784 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8627 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 2.1225 0.0000 C 0 0 0 0 0 0 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0 0 0 0 0 0 0 7.2967 -4.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2404 -4.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2989 -3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2838 -3.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1285 0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 -3.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9274 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2420 -2.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8998 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7771 -2.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 -2.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 2.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 -0.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 3.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 -3.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5049 -2.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2867 1.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 0.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9209 -3.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7167 -0.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5300 0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4359 -2.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6464 -3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0769 -1.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4482 -2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 0.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -0.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8262 2.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 0.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 2.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3816 2.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 1.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 2 0 0 0 0 2 85 1 0 0 0 0 2 86 1 0 0 0 0 3 36 2 0 0 0 0 3 74 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 24 1 0 0 0 0 8 36 1 0 0 0 0 9 27 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 11 15 1 0 0 0 0 11 21 2 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 16 28 2 0 0 0 0 16 30 1 0 0 0 0 17 29 1 0 0 0 0 17 31 2 0 0 0 0 18 25 1 0 0 0 0 18 34 2 0 0 0 0 19 26 1 0 0 0 0 19 35 2 0 0 0 0 20 25 1 0 0 0 0 20 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0 0 60 95 1 0 0 0 0 60 96 1 0 0 0 0 61 66 2 0 0 0 0 62 67 2 0 0 0 0 63 68 1 0 0 0 0 64 69 2 0 0 0 0 65 68 2 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 70 71 2 0 0 0 0 72 75 1 0 0 0 0 72 97 1 0 0 0 0 72 98 1 0 0 0 0 73 76 1 0 0 0 0 73 99 1 0 0 0 0 73100 1 0 0 0 0 74 81 2 0 0 0 0 74 82 1 0 0 0 0 75 77 2 0 0 0 0 75 78 1 0 0 0 0 76 79 2 0 0 0 0 76 80 1 0 0 0 0 77 79 1 0 0 0 0 77101 1 0 0 0 0 78 80 2 0 0 0 0 78102 1 0 0 0 0 79103 1 0 0 0 0 80104 1 0 0 0 0 81 83 1 0 0 0 0 81105 1 0 0 0 0 82 84 2 0 0 0 0 82106 1 0 0 0 0 83 85 2 0 0 0 0 83107 1 0 0 0 0 84 85 1 0 0 0 0 84108 1 0 0 0 0 86109 1 0 0 0 0 86110 1 0 0 0 0 86111 1 0 0 0 0 M END > 16155443 > 0 > 4760 > 3 > 0 > 4 > AAADceB+MAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAHgAAAAAADgzhmAYyxsIABACoAjxzxACCCAAgIgAIiAEmbIgMJjKEsZuAMCBkwBEI6Ae4yMCPwEACAAAQAACAgAQAACAAAQAACAAAAA== > InChI=1S/C83H25NO2/c1-86-21-12-10-20(11-13-21)84-16-78-14-2-4-18-6-8-19(9-7-18)5-3-15-79(17-85)82-72-58-46-35-26-22-23-25-30-24(22)31-28-33(26)41(46)52-44-37(28)48-39(31)50-43(30)51-40-32(25)29-34-27(23)36(35)47-42(34)53-45-38(29)49(40)61-65-55(45)67(63(53)73(82)59(47)58)77-69-68-74-64(54(44)66(62(52)72)76(68)83(77,79)82)60(48)70-56(50)57(51)71(61)81(78,75(65)69)80(70,74)78/h6-13,16-17H,2-5,14-15H2,1H3 > CBBWRMNVXSKHET-UHFFFAOYSA-N > 15.8 > 1067.188529 > C83H25NO2 > 1068.0921 > COC1=CC=C(C=C1)N=CC23CCCC4=CC=C(CCCC5(C67C58C9=C1C5=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%14C%14=C%18C%13=C%11C%11=C5C5=C9C9=C%13C22C35C%11=C%18C3=C%14C5=C%11C%14=C%18C%19=C(C6=C6C%20=C%19C(=C%16C%20=C%16C%15=C%12C%12=C%16C6=C7C1=C%12%10)C%14=C%175)C(=C89)C%18=C%13C%11=C23)C=O)C=C4 > COC1=CC=C(C=C1)N=CC23CCCC4=CC=C(CCCC5(C67C58C9=C1C5=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%14C%14=C%18C%13=C%11C%11=C5C5=C9C9=C%13C22C35C%11=C%18C3=C%14C5=C%11C%14=C%18C%19=C(C6=C6C%20=C%19C(=C%16C%20=C%16C%15=C%12C%12=C%16C6=C7C1=C%12%10)C%14=C%175)C(=C89)C%18=C%13C%11=C23)C=O)C=C4 > 38.7 > 1067.188529 > 0 > 86 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 11 15 8 11 21 8 12 14 8 12 22 8 13 15 8 13 23 8 14 15 8 16 28 8 16 30 8 17 29 8 17 31 8 18 25 8 18 34 8 19 26 8 19 35 8 20 25 8 20 32 8 21 26 8 21 33 8 22 28 8 22 32 8 23 29 8 23 33 8 25 38 8 26 39 8 28 42 8 29 43 8 30 31 8 30 44 8 31 45 8 32 40 8 33 41 8 34 35 8 34 46 8 35 47 8 38 40 8 38 50 8 39 41 8 39 51 8 40 48 8 41 49 8 42 48 8 42 52 8 43 49 8 43 53 8 44 52 8 44 54 8 45 53 8 45 54 8 46 50 8 46 55 8 47 51 8 47 56 8 48 58 8 49 59 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 54 65 8 55 56 8 55 66 8 56 67 8 58 61 8 58 63 8 59 62 8 59 64 8 6 17 3 61 66 8 62 67 8 63 68 8 64 69 8 65 68 8 65 69 8 66 70 8 67 71 8 68 70 8 69 71 8 70 71 8 74 81 8 74 82 8 75 77 8 75 78 8 76 79 8 76 80 8 77 79 8 78 80 8 81 83 8 82 84 8 83 85 8 84 85 8 9 37 3 $$$$