NMPC 154-2,2-Dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-oxirane (5367592) -OEChem-10102316593D 78 78 0 1 0 0 0 0 0999 V2000 6.2672 1.6006 0.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 0.2614 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 1.0269 0.6352 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8459 1.6882 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8447 -0.7619 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 0.1174 -1.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 0.7287 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0461 0.0766 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 -1.2533 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 1.0219 1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 -1.9809 2.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -2.2275 1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 -3.0268 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -2.4667 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0266 -4.4271 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 -3.0756 -1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -2.3150 -2.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 -0.8845 -2.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 1.5959 -2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 2.4253 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8024 2.1292 1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 2.6534 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 0.1662 -2.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 1.9702 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 2.0284 1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6945 4.0561 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8205 1.1259 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9621 -0.2123 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -0.9799 1.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -1.0605 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 0.7709 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 2.1592 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 2.5124 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8309 -0.5975 1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 -1.7624 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -0.7501 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0765 -0.0991 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 -0.7098 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7338 1.0191 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 1.2770 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0649 -0.0474 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3504 -1.9025 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 1.3934 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 1.8845 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 0.5794 2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 -1.4348 3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -2.9350 2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -2.7660 2.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 -1.2628 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 -1.4529 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2073 -4.9318 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 -5.0504 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -4.4108 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 -4.1223 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 -3.0728 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -2.3742 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -2.8130 -3.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 -0.7156 -2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4548 1.6571 -2.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 2.0375 -3.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 3.4719 -1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 2.3761 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 1.1492 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 2.7965 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -0.0032 -2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1587 0.9699 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6774 1.6865 2.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 3.0170 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5678 4.0389 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 4.6148 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 4.6375 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 1.6311 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -0.3849 2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 -1.7756 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 -1.4467 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 -1.7994 -0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 -0.4571 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -1.5876 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 7 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 23 2 0 0 0 0 18 58 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 24 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 2 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 M END > 5367592 > 2 > 2 41 67 99 40 85 125 60 52 121 45 70 123 113 62 79 91 104 19 114 71 82 22 26 88 55 92 69 98 74 120 90 54 6 87 119 48 11 76 106 116 97 51 84 107 95 117 3 17 29 33 18 21 73 110 122 105 94 38 25 61 64 102 66 8 13 20 53 56 86 81 112 78 24 124 100 57 49 32 46 111 68 9 43 34 59 42 89 118 50 16 80 63 10 14 83 109 108 58 93 30 115 47 5 23 77 101 37 44 1 39 96 75 103 12 4 28 7 65 31 36 35 72 15 27 > 37 1 -0.3 10 0.14 11 0.14 12 0.14 13 -0.28 14 -0.29 15 0.14 16 0.14 17 0.14 18 -0.29 19 0.14 2 -0.04 20 0.14 21 0.14 22 -0.28 23 -0.29 24 -0.29 25 0.14 26 0.14 27 -0.29 28 -0.28 29 0.14 3 -0.05 30 0.14 31 0.1 4 0.09 42 0.15 5 0.09 50 0.15 58 0.15 6 0.09 65 0.15 66 0.15 7 0.14 72 0.15 8 -0.28 9 -0.29 > 15.6 > 10 1 1 acceptor 1 10 hydrophobe 1 15 hydrophobe 1 26 hydrophobe 3 2 5 6 hydrophobe 3 28 29 30 hydrophobe 4 14 16 17 18 hydrophobe 4 19 20 23 24 hydrophobe 4 21 22 25 27 hydrophobe 4 9 11 12 13 hydrophobe > 30 > 0 > 1 > 4 > 0 > 0 > 1 > 1 > 0051E72800000002 > 28.6213 > 50.798 > 10079526 769 17315361581474984038 11112662 9 18271818908204111165 11244481 83 17196303920083218751 12156800 1 17976580304781602527 12166972 35 10882276165508734841 14840074 17 17530972405292723900 15297060 5 17917717911740895219 15406563 42 16661192647578800151 35225 105 17988628702012422973 3610482 184 18335996362888732516 460360 51 17096903834253043442 469060 322 16515682285914817790 4918590 53 12179836222665141700 4918855 1 18266183833470571318 563151 248 18273218586342538494 59755656 520 18409731746945267936 9896288 288 18197220252310617936 > 611.52 12.74 4.54 2.85 19.15 1.79 2.04 -4.75 -3.14 -3.65 -0.31 -1.95 0.62 -1.3 > 1178.499 > 373.3 > 2 5 10 $$$$