16155015 -OEChem-05042413392D 118154 0 1 0 0 0 0 0999 V2000 9.7523 5.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6152 3.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 2.7145 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3833 -0.1033 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 0.4901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0386 0.7966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.9901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8243 1.4151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 1.3180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3840 -0.1418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0770 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 2.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -3.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -1.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 2.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -4.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3273 -7.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 3.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -3.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 5.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 4.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4412 -4.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 3.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 5.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 5.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0110 2.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2852 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5801 3.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0019 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 3.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3586 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 3.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 4.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8791 2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5279 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 4.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7315 2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 5.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1922 4.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6426 5.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5094 5.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5485 6.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3421 5.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3682 7.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 6.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 1.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 -0.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 3.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 2.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2311 0.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9445 1.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1907 3.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 4.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 3.7394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -1.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3854 -1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 -0.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7683 1.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4951 0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6887 3.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7965 4.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4409 2.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 1.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9973 6.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 4.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8116 4.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6889 4.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9857 6.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8987 5.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3169 7.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7832 6.9477 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 14 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 0 0 0 0 9 17 2 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 24 2 0 0 0 0 11 21 1 0 0 0 0 11 29 2 0 0 0 0 12 22 1 0 0 0 0 12 30 2 0 0 0 0 13 27 2 0 0 0 0 13 35 1 0 0 0 0 14 28 2 0 0 0 0 14 36 1 0 0 0 0 15 33 1 0 0 0 0 15 37 2 0 0 0 0 16 34 1 0 0 0 0 16 38 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 69 1 0 0 0 0 19 91 1 1 0 0 0 20 70 1 0 0 0 0 20 92 1 1 0 0 0 21 31 2 0 0 0 0 22 32 1 0 0 0 0 23 27 1 0 0 0 0 23 32 2 0 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 25 93 1 0 0 0 0 25 94 1 0 0 0 0 26 95 1 0 0 0 0 26 96 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 33 1 0 0 0 0 29 43 1 0 0 0 0 30 34 1 0 0 0 0 30 44 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 33 45 2 0 0 0 0 34 46 2 0 0 0 0 35 37 1 0 0 0 0 35 47 2 0 0 0 0 36 38 1 0 0 0 0 36 48 2 0 0 0 0 37 53 1 0 0 0 0 38 54 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 40 41 2 0 0 0 0 40 44 1 0 0 0 0 41 51 1 0 0 0 0 42 52 1 0 0 0 0 43 49 2 0 0 0 0 44 50 2 0 0 0 0 45 49 1 0 0 0 0 45 57 1 0 0 0 0 46 50 1 0 0 0 0 46 58 1 0 0 0 0 47 51 1 0 0 0 0 47 59 1 0 0 0 0 48 52 1 0 0 0 0 48 60 1 0 0 0 0 49 55 1 0 0 0 0 50 56 1 0 0 0 0 51 56 2 0 0 0 0 52 55 2 0 0 0 0 53 57 2 0 0 0 0 53 61 1 0 0 0 0 54 58 2 0 0 0 0 54 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 65 1 0 0 0 0 58 66 1 0 0 0 0 59 61 2 0 0 0 0 59 64 1 0 0 0 0 60 62 2 0 0 0 0 60 63 1 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 65 2 0 0 0 0 64 66 2 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 67 68 2 0 0 0 0 69 73 2 0 0 0 0 69 74 1 0 0 0 0 70 75 2 0 0 0 0 70 76 1 0 0 0 0 71 97 1 0 0 0 0 71 98 1 0 0 0 0 71 99 1 0 0 0 0 72100 1 0 0 0 0 72101 1 0 0 0 0 72102 1 0 0 0 0 73 77 1 0 0 0 0 73103 1 0 0 0 0 74 78 2 0 0 0 0 74104 1 0 0 0 0 75 79 1 0 0 0 0 75105 1 0 0 0 0 76 80 2 0 0 0 0 76106 1 0 0 0 0 77 81 2 0 0 0 0 77107 1 0 0 0 0 78 81 1 0 0 0 0 78108 1 0 0 0 0 79 82 2 0 0 0 0 79109 1 0 0 0 0 80 82 1 0 0 0 0 80110 1 0 0 0 0 83 85 1 0 0 0 0 83111 1 0 0 0 0 83112 1 0 0 0 0 84 86 1 0 0 0 0 84113 1 0 0 0 0 84114 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 86 88 2 0 0 0 0 87 89 1 0 0 0 0 87115 1 0 0 0 0 88 90 1 0 0 0 0 88116 1 0 0 0 0 89 90 2 0 0 0 0 89117 1 0 0 0 0 90118 1 0 0 0 0 M END > 16155015 > 1 > 3570 > 4 > 0 > 0 > AAADceB/MAAAAAAAAAAAAAAAAAAAAePGDBgwYMGDAAAAAFgBVAAAHgAAAAAADizhmAYyBsMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuGOCjkwBGIqAfQ0OMP4AACAAAQAADAAAQAACAAAQAACAAAAA== > 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)20-9-13-24(14-10-20)90-16-22-6-4-3-5-21(22)15-89-23-11-7-19(8-12-23)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? > NQKOOPCSDXHEHE-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=C1COC1=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=C1COC1=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 86 8 85 87 8 86 88 8 87 89 8 88 90 8 89 90 8 9 17 8 9 23 8 $$$$