16156080 -OEChem-05221304012D 113148 0 1 0 0 0 0 0999 V2000 9.3534 0.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -3.1912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -0.8399 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3526 -0.3399 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 2.5652 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9786 1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -0.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -1.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 2.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 3.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 1.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0157 3.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -1.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 3.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 4.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 3.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 2.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -3.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 5.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 4.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -3.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 -0.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 5.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 5.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -4.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 0.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2932 4.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -4.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -3.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -3.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 4.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 -3.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 4.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 2.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 4.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -4.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 2.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 3.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 3.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -4.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -5.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -5.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.4502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6096 -0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 3.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5135 3.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 -2.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5267 1.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9306 -0.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8685 4.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 3.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 0.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 0.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 5.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 4.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 1.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 1.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6781 5.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 4.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2126 -2.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0162 -5.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 3.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 3.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 4.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 -3.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7754 -6.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -5.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 2 35 2 0 0 0 0 2 73 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 7 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 17 1 0 0 0 0 6 18 1 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 8 26 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 15 27 2 0 0 0 0 15 29 1 0 0 0 0 16 28 1 0 0 0 0 16 30 2 0 0 0 0 17 24 1 0 0 0 0 17 33 2 0 0 0 0 18 25 1 0 0 0 0 18 34 2 0 0 0 0 19 24 1 0 0 0 0 19 31 1 0 0 0 0 20 25 1 0 0 0 0 20 32 1 0 0 0 0 21 27 1 0 0 0 0 21 31 2 0 0 0 0 22 28 2 0 0 0 0 22 32 1 0 0 0 0 23 54 1 0 0 0 0 23 87 1 0 0 0 0 23 88 1 0 0 0 0 24 37 2 0 0 0 0 25 38 2 0 0 0 0 26 59 1 0 0 0 0 26 89 1 0 0 0 0 26 90 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 29 43 2 0 0 0 0 30 44 1 0 0 0 0 31 39 1 0 0 0 0 32 40 2 0 0 0 0 33 34 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 49 1 0 0 0 0 38 40 1 0 0 0 0 38 50 1 0 0 0 0 39 47 2 0 0 0 0 40 48 1 0 0 0 0 41 47 1 0 0 0 0 41 51 2 0 0 0 0 42 48 1 0 0 0 0 42 52 2 0 0 0 0 43 51 1 0 0 0 0 43 53 1 0 0 0 0 44 52 1 0 0 0 0 44 53 2 0 0 0 0 45 49 2 0 0 0 0 45 55 1 0 0 0 0 46 50 2 0 0 0 0 46 56 1 0 0 0 0 47 57 1 0 0 0 0 48 58 2 0 0 0 0 49 60 1 0 0 0 0 50 61 1 0 0 0 0 51 62 1 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 54 71 1 0 0 0 0 54 93 1 0 0 0 0 54 94 1 0 0 0 0 55 56 2 0 0 0 0 55 65 1 0 0 0 0 56 66 1 0 0 0 0 57 60 1 0 0 0 0 57 62 2 0 0 0 0 58 61 1 0 0 0 0 58 63 1 0 0 0 0 59 72 1 0 0 0 0 59 95 1 0 0 0 0 59 96 1 0 0 0 0 60 65 2 0 0 0 0 61 66 2 0 0 0 0 62 67 1 0 0 0 0 63 68 2 0 0 0 0 64 67 2 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 70 2 0 0 0 0 71 74 1 0 0 0 0 71 97 1 0 0 0 0 71 98 1 0 0 0 0 72 75 1 0 0 0 0 72 99 1 0 0 0 0 72100 1 0 0 0 0 73 78 2 0 0 0 0 73 79 1 0 0 0 0 74 76 1 0 0 0 0 74101 1 0 0 0 0 74102 1 0 0 0 0 75 77 1 0 0 0 0 75103 1 0 0 0 0 75104 1 0 0 0 0 76 80 2 0 0 0 0 76 81 1 0 0 0 0 77 82 2 0 0 0 0 77 83 1 0 0 0 0 78 84 1 0 0 0 0 78105 1 0 0 0 0 79 85 2 0 0 0 0 79106 1 0 0 0 0 80 82 1 0 0 0 0 80107 1 0 0 0 0 81 83 2 0 0 0 0 81108 1 0 0 0 0 82109 1 0 0 0 0 83110 1 0 0 0 0 84 86 2 0 0 0 0 84111 1 0 0 0 0 85 86 1 0 0 0 0 85112 1 0 0 0 0 86113 1 0 0 0 0 M END > 16156080 > 0 > 4730 > 2 > 0 > 3 > AAADceB+IAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAHgAAAAAADgjhmAYwwMIAAACoAjxzxACCAAAgAgAIiAEgZIgIIDKAkZGAIABggAAIyAcYiMCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C84H27NO/c86-19-80-17-7-5-9-21-14-12-20(13-15-21)8-4-6-16-79(18-85-22-10-2-1-3-11-22)81-71-57-51-40-32-25-23-24-26-31(25)44(51)52-41-33(26)30-35-28(24)37-36-27(23)34-29(32)38-45-53-42(34)47(36)59-60-48(37)43(35)54-46-39(30)50(41)62-66-56(46)68-64(54)74(60)83(80)73(59)63(53)67-55(45)65(61(71)49(38)40)75(81)69-70(78(68)84(80,83)77(67)69)76(66)82(79,81)72(62)58(52)57/h1-3,10-15,18-19H,4-9,16-17H2 > ZLRWFUZIYVVKDU-UHFFFAOYSA-N > 16.9 > 1065.209264 > C84H27NO > 1066.11928 > C1CCC2(C34C25C6=C7C8=C9C2=C%10C8=C8C%11=C%12C%13=C%14C(=C5C7=C8%13)C5=C3C3=C7C4=C4C6=C9C6=C4C4=C7C7=C8C4=C4C6=C2C2=C4C4=C8C6=C8C4=C4C2=C%10C%11=C4C2=C%12C49C%14(C5=C5C3=C7C6=C5C4=C82)C9(CCCCC2=CC=C(C1)C=C2)C=O)C=NC1=CC=CC=C1 > C1CCC2(C34C25C6=C7C8=C9C2=C%10C8=C8C%11=C%12C%13=C%14C(=C5C7=C8%13)C5=C3C3=C7C4=C4C6=C9C6=C4C4=C7C7=C8C4=C4C6=C2C2=C4C4=C8C6=C8C4=C4C2=C%10C%11=C4C2=C%12C49C%14(C5=C5C3=C7C6=C5C4=C82)C9(CCCCC2=CC=C(C1)C=C2)C=O)C=NC1=CC=CC=C1 > 29.4 > 1065.209264 > 0 > 86 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 11 13 8 11 21 8 12 14 8 12 22 8 13 14 8 15 27 8 15 29 8 16 28 8 16 30 8 17 24 8 17 33 8 18 25 8 18 34 8 19 24 8 19 31 8 20 25 8 20 32 8 21 27 8 21 31 8 22 28 8 22 32 8 24 37 8 25 38 8 27 41 8 28 42 8 29 30 8 29 43 8 30 44 8 31 39 8 32 40 8 33 34 8 33 45 8 34 46 8 37 39 8 37 49 8 38 40 8 38 50 8 39 47 8 4 15 3 40 48 8 41 47 8 41 51 8 42 48 8 42 52 8 43 51 8 43 53 8 44 52 8 44 53 8 45 49 8 45 55 8 46 50 8 46 56 8 47 57 8 48 58 8 49 60 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 55 56 8 55 65 8 56 66 8 57 60 8 57 62 8 58 61 8 58 63 8 60 65 8 61 66 8 62 67 8 63 68 8 64 67 8 64 68 8 65 69 8 66 70 8 67 69 8 68 70 8 69 70 8 73 78 8 73 79 8 76 80 8 76 81 8 77 82 8 77 83 8 78 84 8 79 85 8 8 36 3 80 82 8 81 83 8 84 86 8 85 86 8 9 13 8 9 19 8 $$$$