16156609 -OEChem-05032423232D 109144 0 1 0 0 0 0 0999 V2000 11.6370 3.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7204 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4351 4.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 0.4767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 3.7910 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0194 3.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6606 0.2191 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7946 0.7191 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0635 4.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9066 3.6243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4206 2.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 3.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 0.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7946 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6606 2.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 -0.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8184 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2890 4.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3267 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7787 3.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 2.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3853 -1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0629 2.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2736 4.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 3.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7787 -1.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3267 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 3.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8207 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7939 4.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6263 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2784 5.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8627 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3831 0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0559 -2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4140 2.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7639 5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5107 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 2.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3381 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5965 4.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 -1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2954 2.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5199 3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2554 -1.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 -3.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 1.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6676 2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9858 -2.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 4.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2967 -3.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -2.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2989 -1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -4.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 -2.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2838 -1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1285 1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9274 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2420 -1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -0.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8998 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 3.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 2.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7771 -1.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 -0.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 3.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 2.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 1.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8213 4.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 -2.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5049 -1.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2867 2.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 2.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9209 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -1.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7167 1.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5300 1.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4359 -0.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6464 -1.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0769 0.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4482 -0.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 0.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 2.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 2.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8262 3.5905 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 11 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 10 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 11 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 32 1 0 0 0 0 19 31 1 0 0 0 0 19 33 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 34 1 0 0 0 0 23 28 1 0 0 0 0 23 35 1 0 0 0 0 24 30 1 0 0 0 0 24 34 2 0 0 0 0 25 31 2 0 0 0 0 25 35 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 33 1 0 0 0 0 32 46 2 0 0 0 0 33 47 1 0 0 0 0 34 42 1 0 0 0 0 35 43 2 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 > 16156609 > 1 > 4860 > 4 > 0 > 3 > AAADceB/MAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAHgAEAAAADgjhmAYwwMIQQACpAjxzxwCCAAAgAgAoiAEgZIoIIDKAkZGAIABggAAIyAcYiMCPwACCAAAQAACAAQQAACAAAQAACAAAAA== > 5-[(4-nitrophenyl)iminomethyl]pentatriacontacyclo[67.2.2.19,12.05,30.06,30.06,52.07,20.08,51.010,49.011,46.013,17.014,45.015,38.016,24.018,22.021,29.023,27.025,37.026,34.028,32.031,54.033,56.035,57.036,40.039,44.041,58.042,60.043,47.048,61.050,62.053,63.055,64.059,64.059,65.019,74]tetraheptaconta-1(72),7,9(74),10(49),11,13(17),14,16(24),18(22),19,21(29),23(27),25,28(32),31(54),33,35(57),36(40),37,39(44),41(58),42(60),43(47),45,48(61),50,52,55,62,69(73),70-hentriacontaene-65-carbaldehyde > 5-[(4-nitrophenyl)iminomethyl]-65-pentatriacontacyclo[67.2.2.19,12.05,30.06,30.06,52.07,20.08,51.010,49.011,46.013,17.014,45.015,38.016,24.018,22.021,29.023,27.025,37.026,34.028,32.031,54.033,56.035,57.036,40.039,44.041,58.042,60.043,47.048,61.050,62.053,63.055,64.059,64.059,65.019,74]tetraheptaconta-1(72),7,9(74),10(49),11,13(17),14,16(24),18(22),19,21(29),23(27),25,28(32),31(54),33,35(57),36(40),37,39(44),41(58),42(60),43(47),45,48(61),50,52,55,62,69(73),70-hentriacontaenecarboxaldehyde > 5-[(4-nitrophenyl)iminomethyl]pentatriacontacyclo[67.2.2.19,12.05,30.06,30.06,52.07,20.08,51.010,49.011,46.013,17.014,45.015,38.016,24.018,22.021,29.023,27.025,37.026,34.028,32.031,54.033,56.035,57.036,40.039,44.041,58.042,60.043,47.048,61.050,62.053,63.055,64.059,64.059,65.019,74]tetraheptaconta-1(72),7,9(74),10(49),11,13(17),14,16(24),18(22),19,21(29),23(27),25,28(32),31(54),33,35(57),36(40),37,39(44),41(58),42(60),43(47),45,48(61),50,52,55,62,69(73),70-hentriacontaene-65-carbaldehyde > 5-[(4-nitrophenyl)iminomethyl]pentatriacontacyclo[67.2.2.19,12.05,30.06,30.06,52.07,20.08,51.010,49.011,46.013,17.014,45.015,38.016,24.018,22.021,29.023,27.025,37.026,34.028,32.031,54.033,56.035,57.036,40.039,44.041,58.042,60.043,47.048,61.050,62.053,63.055,64.059,64.059,65.019,74]tetraheptaconta-1(72),7,9(74),10(49),11,13(17),14,16(24),18(22),19,21(29),23(27),25,28(32),31(54),33,35(57),36(40),37,39(44),41(58),42(60),43(47),45,48(61),50,52,55,62,69(73),70-hentriacontaene-65-carbaldehyde > 5-[(4-nitrophenyl)iminomethyl]pentatriacontacyclo[67.2.2.19,12.05,30.06,30.06,52.07,20.08,51.010,49.011,46.013,17.014,45.015,38.016,24.018,22.021,29.023,27.025,37.026,34.028,32.031,54.033,56.035,57.036,40.039,44.041,58.042,60.043,47.048,61.050,62.053,63.055,64.059,64.059,65.019,74]tetraheptaconta-1(72),7,9(74),10(49),11,13(17),14,16(24),18(22),19,21(29),23(27),25,28(32),31(54),33,35(57),36(40),37,39(44),41(58),42(60),43(47),45,48(61),50,52,55,62,69(73),70-hentriacontaene-65-carbaldehyde > 5-[(4-nitrophenyl)iminomethyl]pentatriacontacyclo[67.2.2.19,12.05,30.06,30.06,52.07,20.08,51.010,49.011,46.013,17.014,45.015,38.016,24.018,22.021,29.023,27.025,37.026,34.028,32.031,54.033,56.035,57.036,40.039,44.041,58.042,60.043,47.048,61.050,62.053,63.055,64.059,64.059,65.019,74]tetraheptaconta-1(72),7,9(74),10(49),11,13(17),14,16(24),18(22),19,21(29),23(27),25,28(32),31(54),33,35(57),36(40),37,39(44),41(58),42(60),43(47),45,48(61),50,52,55,62,69(73),70-hentriacontaene-65-carbaldehyde > 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)79-69-55-49-38-30-23-21-22-24-29(23)42(49)50-39-31(24)28-33-26(22)35-34-25(21)32-27(30)36-43-51-40(32)45(34)57-58-46(35)41(33)52-44-37(28)48(39)60-64-54(44)66-62(52)72(58)81(78)71(57)61(51)65-53(43)63(59(69)47(36)38)73(79)67-68(76(66)82(78,81)75(65)67)74(64)80(77,79)70(60)56(50)55/h5-12,15-16H,1-4,13-14H2 > JLKXYLAQQMDLFP-UHFFFAOYSA-N > 15.6 > 1082.16304257 > C82H22N2O3 > 1083.1 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%16=C%13C%13=C%17C%12=C%10C%10=C9C9=C7C7=C%12C%18=C%19C%20=C%21C(=C%16C%16=C%21C%18=C%18C%12%12C9(C%10=C%17C%18=C%16%13)C%12(C1)C=NC1=CC=C(C=C1)[N+](=O)[O-])C1=C%15C9=C%10C%14=C%11C%11=C%10C(=C4C8=C%113)C3=C5C(=C%20C1=C93)C%19=C67)C=O)C=C2 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%16=C%13C%13=C%17C%12=C%10C%10=C9C9=C7C7=C%12C%18=C%19C%20=C%21C(=C%16C%16=C%21C%18=C%18C%12%12C9(C%10=C%17C%18=C%16%13)C%12(C1)C=NC1=CC=C(C=C1)[N+](=O)[O-])C1=C%15C9=C%10C%14=C%11C%11=C%10C(=C4C8=C%113)C3=C5C(=C%20C1=C93)C%19=C67)C=O)C=C2 > 75.2 > 1082.16304257 > 0 > 87 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 39 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 32 8 19 31 8 19 33 8 20 27 8 20 36 8 21 28 8 21 37 8 22 27 8 22 34 8 23 28 8 23 35 8 24 30 8 24 34 8 25 31 8 25 35 8 27 40 8 28 41 8 30 44 8 31 45 8 32 33 8 32 46 8 33 47 8 34 42 8 35 43 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 $$$$