44397934 -OEChem-04242403062D 108140 0 1 0 0 0 0 0999 V2000 7.7798 2.4872 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2384 -0.1821 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0729 0.2628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.7628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4725 -2.6142 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8328 2.2974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8328 0.2281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.7419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2968 0.2559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0889 -0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.7836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7090 -3.3307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4681 -2.3166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0770 -0.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.7857 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7114 -3.6570 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4316 3.2066 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -0.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2997 2.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -2.8116 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8767 -1.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5573 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 3.8771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0889 3.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 4.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 3.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 4.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 4.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6753 3.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6934 2.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0725 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2374 -0.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0117 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2533 -0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 0.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 0.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3124 1.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -3.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3053 -2.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 -0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8773 -4.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 3.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6257 0.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8816 1.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8237 -2.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 2.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9202 -2.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 -1.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2853 -1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0046 0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9544 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5104 4.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2919 3.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6105 4.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0587 3.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2598 3.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4412 3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6754 -0.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3195 -0.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 0.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1030 0.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3929 -1.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9741 -2.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6306 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2522 -1.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -1.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2978 -0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 28 1 0 0 0 0 1 67 1 0 0 0 0 1 68 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 69 1 0 0 0 0 2 70 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 73 1 0 0 0 0 8 16 2 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 74 1 0 0 0 0 10 19 1 0 0 0 0 10 37 1 0 0 0 0 10 75 1 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 12 30 1 0 0 0 0 12 76 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 13 77 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 14 78 1 0 0 0 0 15 17 2 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 79 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 20 80 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 81 1 0 0 0 0 22 26 1 0 0 0 0 22 39 2 0 0 0 0 23 24 2 0 0 0 0 24 38 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 35 2 0 0 0 0 27 40 1 0 0 0 0 27 43 1 0 0 0 0 27 84 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 36 1 0 0 0 0 29 40 2 0 0 0 0 30 38 1 0 0 0 0 30 41 2 0 0 0 0 31 42 1 0 0 0 0 31 44 1 0 0 0 0 31 87 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 33 90 1 0 0 0 0 33 91 1 0 0 0 0 34 41 1 0 0 0 0 34 49 1 0 0 0 0 34 92 1 0 0 0 0 35 46 1 0 0 0 0 36 45 2 0 0 0 0 37 39 1 0 0 0 0 37 47 2 0 0 0 0 38 42 2 0 0 0 0 39 48 1 0 0 0 0 40 50 1 0 0 0 0 41 52 1 0 0 0 0 42 51 1 0 0 0 0 43 44 1 0 0 0 0 43 53 2 0 0 0 0 44 54 2 0 0 0 0 45 47 1 0 0 0 0 45 56 1 0 0 0 0 46 48 2 0 0 0 0 46 55 1 0 0 0 0 47 58 1 0 0 0 0 48 59 1 0 0 0 0 49 55 2 0 0 0 0 49 57 1 0 0 0 0 50 53 1 0 0 0 0 50 56 2 0 0 0 0 51 52 2 0 0 0 0 51 54 1 0 0 0 0 52 57 1 0 0 0 0 53 63 1 0 0 0 0 54 62 1 0 0 0 0 55 61 1 0 0 0 0 56 60 1 0 0 0 0 57 64 2 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 59 61 2 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 66 2 0 0 0 0 67 93 1 0 0 0 0 67 94 1 0 0 0 0 67 95 1 0 0 0 0 68 96 1 0 0 0 0 68 97 1 0 0 0 0 68 98 1 0 0 0 0 69 71 1 0 0 0 0 69 99 1 0 0 0 0 69100 1 0 0 0 0 70 72 1 0 0 0 0 70101 1 0 0 0 0 70102 1 0 0 0 0 71103 1 0 0 0 0 71104 1 0 0 0 0 71105 1 0 0 0 0 72106 1 0 0 0 0 72107 1 0 0 0 0 72108 1 0 0 0 0 M CHG 2 1 1 2 1 M END > 44397934 > 1 > 3580 > 0 > 0 > 2 > AAADcfB/AAAAAAAAAAAAAAAAAAAAAeMGDBgwYMGDAAAAAECBVAAAHAAAAAAADwDBGAQCAMMAAACAAgBAAAACAAAgAAAAiAAIAIgIICKAkBGEIAAggACIiAcQgMAPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C70H36N2/c1-5-72(6-2)7-67-57-42-31-24-14-11-12-15-13(14)17-19-25-23(15)32-28-18(12)22-21-16(11)20-26(24)39(42)45-40-30(20)34(21)49-50-35(22)36(28)51-56-63(50)69-9-71(3,4)10-70(69)64(54(60(45)67)52(40)62(49)69)55-53-48-41-37(29(19)33(27(17)31)46(57)47(41)61(55)67)44-38(25)43(32)59(51)68(8-72,58(44)48)65(56)66(53)70/h33,42-43,46,48,52-53,57-60,62H,5-10H2,1-4H3/q+2 > NGNGGBPHDITQSP-UHFFFAOYSA-N > 6.4 > 904.287849157 > C70H36N2+2 > 905.0 > CC[N+]1(CC23C4C5C6C7=C8C9=C%10C%11=C%12C%13C%14C%15C(=C2C5=C%14C%12=C69)C2=C5C3C3=C6C4C7=C4C6=C6C7=C3C5C3C5=C7C7=C6C6=C9C%12=C7C7=C%14C%12=C(C%11C%11C%14=C%12C(=C%15C22C3(C%12=C57)C[N+](C2)(C)C)C%13%11C1)C%10=C9C8=C46)CC > CC[N+]1(CC23C4C5C6C7=C8C9=C%10C%11=C%12C%13C%14C%15C(=C2C5=C%14C%12=C69)C2=C5C3C3=C6C4C7=C4C6=C6C7=C3C5C3C5=C7C7=C6C6=C9C%12=C7C7=C%14C%12=C(C%11C%11C%14=C%12C(=C%15C22C3(C%12=C57)C[N+](C2)(C)C)C%13%11C1)C%10=C9C8=C46)CC > 0 > 904.287849157 > 2 > 72 > 0 > 16 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 37 3 12 30 3 13 27 3 14 29 3 19 36 3 20 23 3 21 35 3 22 26 8 22 39 8 26 35 8 27 43 3 29 36 8 29 40 8 3 25 3 30 38 8 30 41 8 31 44 3 34 49 3 35 46 8 36 45 8 37 39 8 37 47 8 38 42 8 39 48 8 4 28 3 40 50 8 41 52 8 42 51 8 43 44 8 43 53 8 44 54 8 45 47 8 45 56 8 46 48 8 46 55 8 47 58 8 48 59 8 49 55 8 49 57 8 5 32 3 50 53 8 50 56 8 51 52 8 51 54 8 52 57 8 53 63 8 54 62 8 55 61 8 56 60 8 57 64 8 58 59 8 58 60 8 59 61 8 6 33 3 60 65 8 61 66 8 62 63 8 62 64 8 63 65 8 64 66 8 65 66 8 7 15 3 9 24 3 $$$$