16156198 -OEChem-05181311082D 109144 0 1 0 0 0 0 0999 V2000 4.7950 -2.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 6.7056 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1338 6.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 2.1647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0261 6.1586 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5774 0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -2.7859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3526 -2.2859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 0.6193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3524 -3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 -1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -3.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -2.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 0.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -2.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 -4.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -4.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -3.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4095 1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 -2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -3.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -4.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -5.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -3.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 3.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 -1.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -5.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -3.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -4.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 3.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2256 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -5.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -6.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -3.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -5.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -2.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -6.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -4.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -3.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6865 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 -4.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1915 3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7676 -2.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -4.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1130 -3.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4578 -3.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 -4.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0286 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 3.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9735 4.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 4.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 5.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 0.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 -0.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 -4.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -3.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8563 1.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 -1.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 -0.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 -0.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2916 -5.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0629 -4.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2747 -1.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 -1.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4789 -5.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8662 -4.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6349 -2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0062 -3.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -4.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 3.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 3.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4925 5.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6909 4.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 2 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 38 2 0 0 0 0 4 76 1 0 0 0 0 5 87 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 26 1 0 0 0 0 10 38 1 0 0 0 0 11 29 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 22 2 0 0 0 0 13 17 1 0 0 0 0 13 23 2 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 18 30 2 0 0 0 0 18 34 1 0 0 0 0 19 31 1 0 0 0 0 19 35 2 0 0 0 0 20 27 1 0 0 0 0 20 36 2 0 0 0 0 21 28 1 0 0 0 0 21 37 2 0 0 0 0 22 27 1 0 0 0 0 22 32 1 0 0 0 0 23 28 1 0 0 0 0 23 33 1 0 0 0 0 24 30 1 0 0 0 0 24 32 2 0 0 0 0 25 31 2 0 0 0 0 25 33 1 0 0 0 0 26 59 1 0 0 0 0 26 88 1 0 0 0 0 26 89 1 0 0 0 0 27 40 2 0 0 0 0 28 41 2 0 0 0 0 29 62 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 44 1 0 0 0 0 31 45 1 0 0 0 0 32 42 1 0 0 0 0 33 43 2 0 0 0 0 34 35 1 0 0 0 0 34 46 2 0 0 0 0 35 47 1 0 0 0 0 36 37 1 0 0 0 0 36 48 1 0 0 0 0 37 49 1 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 52 1 0 0 0 0 41 43 1 0 0 0 0 41 53 1 0 0 0 0 42 50 2 0 0 0 0 43 51 1 0 0 0 0 44 50 1 0 0 0 0 44 54 2 0 0 0 0 45 51 1 0 0 0 0 45 55 2 0 0 0 0 46 54 1 0 0 0 0 46 56 1 0 0 0 0 47 55 1 0 0 0 0 47 56 2 0 0 0 0 48 52 2 0 0 0 0 48 57 1 0 0 0 0 49 53 2 0 0 0 0 49 58 1 0 0 0 0 50 60 1 0 0 0 0 51 61 2 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 54 65 1 0 0 0 0 55 66 1 0 0 0 0 56 67 1 0 0 0 0 57 58 2 0 0 0 0 57 68 1 0 0 0 0 58 69 1 0 0 0 0 59 74 1 0 0 0 0 59 94 1 0 0 0 0 59 95 1 0 0 0 0 60 63 1 0 0 0 0 60 65 2 0 0 0 0 61 64 1 0 0 0 0 61 66 1 0 0 0 0 62 75 1 0 0 0 0 62 96 1 0 0 0 0 62 97 1 0 0 0 0 63 68 2 0 0 0 0 64 69 2 0 0 0 0 65 70 1 0 0 0 0 66 71 2 0 0 0 0 67 70 2 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 69 73 1 0 0 0 0 70 72 1 0 0 0 0 71 73 1 0 0 0 0 72 73 2 0 0 0 0 74 77 1 0 0 0 0 74 98 1 0 0 0 0 74 99 1 0 0 0 0 75 78 1 0 0 0 0 75100 1 0 0 0 0 75101 1 0 0 0 0 76 83 2 0 0 0 0 76 84 1 0 0 0 0 77 79 2 0 0 0 0 77 80 1 0 0 0 0 78 81 2 0 0 0 0 78 82 1 0 0 0 0 79 81 1 0 0 0 0 79102 1 0 0 0 0 80 82 2 0 0 0 0 80103 1 0 0 0 0 81104 1 0 0 0 0 82105 1 0 0 0 0 83 85 1 0 0 0 0 83106 1 0 0 0 0 84 86 2 0 0 0 0 84107 1 0 0 0 0 85 87 2 0 0 0 0 85108 1 0 0 0 0 86 87 1 0 0 0 0 86109 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > 16156198 > 0 > 4860 > 4 > 0 > 3 > AAADceB/MAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAHgAEAAAADgjhmAYwwMIQQACpAjxzxwCCAAAgAgAoiAEgZIoIIDKAkZGAIABggAAIyAcYiMCPwACCAAAQAACAAQQAACAAAQAACAAAAA== > InChI=1S/C82H22N2O3/c85-16-78-14-2-4-18-7-5-17(6-8-18)3-1-13-77(15-83-19-9-11-20(12-10-19)84(86)87)79-69-55-45-34-25-21-22-24-29-23(21)30-27-32(25)40(45)51-43-36(27)47-38(30)49-42(29)50-39-31(24)28-33-26(22)35(34)46-41(33)52-44-37(28)48(39)62-66-54(44)64(60(52)70(79)56(46)55)74-68-67-73(80(74,77)79)63(59(51)69)53(43)65-61(47)71-57(49)58(50)72(62)82(78,76(66)68)81(71,78)75(65)67/h5-12,15-16H,1-4,13-14H2 > POJPCMRLSPDNDU-UHFFFAOYSA-N > 15.6 > 1082.163043 > C82H22N2O3 > 1083.06368 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(C1)C=NC1=CC=C(C=C1)[N+](=O)[O-])C=O)C=C2 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(C1)C=NC1=CC=C(C=C1)[N+](=O)[O-])C=O)C=C2 > 75.2 > 1082.163043 > 0 > 87 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 38 3 12 16 8 12 22 8 13 17 8 13 23 8 14 16 8 14 24 8 15 17 8 15 25 8 16 17 8 18 30 8 18 34 8 19 31 8 19 35 8 20 27 8 20 36 8 21 28 8 21 37 8 22 27 8 22 32 8 23 28 8 23 33 8 24 30 8 24 32 8 25 31 8 25 33 8 27 40 8 28 41 8 30 44 8 31 45 8 32 42 8 33 43 8 34 35 8 34 46 8 35 47 8 36 37 8 36 48 8 37 49 8 40 42 8 40 52 8 41 43 8 41 53 8 42 50 8 43 51 8 44 50 8 44 54 8 45 51 8 45 55 8 46 54 8 46 56 8 47 55 8 47 56 8 48 52 8 48 57 8 49 53 8 49 58 8 50 60 8 51 61 8 52 63 8 53 64 8 54 65 8 55 66 8 56 67 8 57 58 8 57 68 8 58 69 8 60 63 8 60 65 8 61 64 8 61 66 8 63 68 8 64 69 8 65 70 8 66 71 8 67 70 8 67 71 8 68 72 8 69 73 8 7 18 3 70 72 8 71 73 8 72 73 8 76 83 8 76 84 8 77 79 8 77 80 8 78 81 8 78 82 8 79 81 8 8 19 3 80 82 8 83 85 8 84 86 8 85 87 8 86 87 8 $$$$