22835624 -OEChem-05082409382D 118154 0 1 0 0 0 0 0999 V2000 5.9726 -1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2304 -3.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 3.4770 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3833 0.6592 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 1.2526 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0386 1.5591 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 1.7526 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8243 2.1777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 0.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 3.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 2.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 2.0805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3840 0.6207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 2.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 2.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 3.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 3.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 4.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -0.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 4.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -4.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 2.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3273 -6.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 4.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -2.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 4.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 5.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 4.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -3.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 5.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 4.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 1.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4412 -3.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -1.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 5.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 5.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 4.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 6.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 6.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 2.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 5.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4592 1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6938 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 4.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0019 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4482 0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 1.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7224 -1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9264 -0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2127 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6475 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9508 -0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9529 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 -2.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3707 -3.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 -2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4584 -3.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 -3.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -3.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0046 -4.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 -4.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1238 2.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9113 -0.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 3.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 3.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2311 1.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9445 2.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 4.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 5.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1598 4.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -0.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3854 -0.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2846 1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 -0.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 0.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0277 -2.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0275 -1.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6579 -2.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8212 -1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 -4.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2566 -3.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3164 -3.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7936 -3.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 -5.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -5.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 81 1 0 0 0 0 1 83 1 0 0 0 0 2 82 1 0 0 0 0 2 84 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 3 71 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 4 72 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 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0 0 0 0 86 89 2 0 0 0 0 87115 1 0 0 0 0 88 90 2 0 0 0 0 88116 1 0 0 0 0 89 90 1 0 0 0 0 89117 1 0 0 0 0 90118 1 0 0 0 0 M END > 22835624 > 1 > 3570 > 4 > 0 > 0 > AAADceB/MAAAAAAAAAAAAAAAAAAAAePGDBgwYMGDAAAAAFgBVAAAHgAAAAAADizhmAYyBsMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuGOCjkwBGIqAeQ8OsP4AACAAAQAADAAAQAACAAAQAACAAAAA== > InChI=1S/C86H28N2O2/c1-87-17-83-73-57-45-33-25-26-30-27-31-39-47(35(27)33)59(57)75(83)63-51(39)43-54-42(31)50-38(30)46-34(26)36-28-29(25)37(45)49-41-32(28)40-48(36)60-58(46)74-62(50)66(54)78-70-55(43)67(63)79-71-69-56-44-52(40)64-68(56)80(72(70)71)86(78)82(88(2)18-84(74,86)76(60)64)22-8-12-24(13-9-22)90-16-20-5-3-4-19(14-20)15-89-23-10-6-21(7-11-23)81(87)85(79,83)77(69)65(53(41)44)61(49)73/h3-14,81-82H,15-18H2,1-2H3/t81-,82+,83?,84?,85?,86? > FBOZZOHLBDPGLL-NJFPBKJXSA-N > 18.6 > 1120.215078140 > C86H28N2O2 > 1121.1 > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C7=C4C%14=C4C22C1C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC1=CC=C(C=C1)C1C7%10C%14=C%15C%16=C%17C%18=C%19C%20=C%16C%16=C%21C%20=C3C5=C%19C3=C6C8=C5C(=C%183)C3=C6C5=C9C%11=C5C6=C(C%15=C3%17)C7(C5=C%12C3=C%10C(=C%16%14)C(=C2%21)C4=C%133)CN1C > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C7=C4C%14=C4C22[C@@H]1C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC1=CC=C(C=C1)[C@@H]1C7%10C%14=C%15C%16=C%17C%18=C%19C%20=C%16C%16=C%21C%20=C3C5=C%19C3=C6C8=C5C(=C%183)C3=C6C5=C9C%11=C5C6=C(C%15=C3%17)C7(C5=C%12C3=C%10C(=C%16%14)C(=C2%21)C4=C%133)CN1C > 24.9 > 1120.215078140 > 0 > 90 > 2 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 24 8 11 21 8 11 29 8 12 22 8 12 30 8 13 27 8 13 35 8 14 28 8 14 36 8 15 33 8 15 37 8 16 34 8 16 38 8 17 18 8 17 21 8 18 22 8 19 91 5 20 92 5 21 31 8 22 32 8 23 27 8 23 32 8 24 28 8 24 31 8 27 41 8 28 42 8 29 33 8 29 43 8 30 34 8 30 44 8 31 39 8 32 40 8 33 45 8 34 46 8 35 37 8 35 47 8 36 38 8 36 48 8 37 53 8 38 54 8 39 42 8 39 43 8 40 41 8 40 44 8 41 51 8 42 52 8 43 49 8 44 50 8 45 49 8 45 57 8 46 50 8 46 58 8 47 51 8 47 59 8 48 52 8 48 60 8 49 55 8 5 11 3 50 56 8 51 56 8 52 55 8 53 57 8 53 61 8 54 58 8 54 62 8 55 63 8 56 64 8 57 65 8 58 66 8 59 61 8 59 64 8 6 12 3 60 62 8 60 63 8 61 67 8 62 68 8 63 65 8 64 66 8 65 67 8 66 68 8 67 68 8 69 73 8 69 74 8 7 25 3 70 75 8 70 76 8 73 77 8 74 78 8 75 79 8 76 80 8 77 81 8 78 81 8 79 82 8 8 26 3 80 82 8 85 87 8 85 88 8 86 87 8 86 89 8 88 90 8 89 90 8 9 17 8 9 23 8 $$$$