Mrv1652306031607322D 70105 0 0 0 0 999 V2000 1.5421 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 -1.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5673 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -3.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 -4.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 -1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 -1.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 -3.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5859 -3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -4.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 -0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 -1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 -3.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -2.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -2.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 -3.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 -0.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 -1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 -2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 -0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -2.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -3.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 1.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6182 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 -2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 -4.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7506 -3.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -3.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8361 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4227 -4.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 -1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 -2.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -3.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 -1.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -2.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -1.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 -2.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7645 -2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -1.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 -3.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 -4.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0442 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0252 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 -2.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 4 3 2 0 0 0 0 6 5 2 0 0 0 0 8 7 2 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 16 15 2 0 0 0 0 18 17 2 0 0 0 0 20 19 2 0 0 0 0 21 1 1 0 0 0 0 21 3 1 0 0 0 0 22 2 1 0 0 0 0 22 5 1 0 0 0 0 23 4 1 0 0 0 0 23 9 1 0 0 0 0 24 6 1 0 0 0 0 24 13 1 0 0 0 0 25 7 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 26 14 1 0 0 0 0 27 8 1 0 0 0 0 27 15 1 0 0 0 0 28 12 1 0 0 0 0 28 17 1 0 0 0 0 29 16 1 0 0 0 0 29 19 1 0 0 0 0 30 18 1 0 0 0 0 30 20 1 0 0 0 0 31 1 1 0 0 0 0 32 2 1 0 0 0 0 33 3 1 0 0 0 0 33 31 2 0 0 0 0 34 5 1 0 0 0 0 34 32 2 0 0 0 0 35 7 1 0 0 0 0 36 4 1 0 0 0 0 37 10 1 0 0 0 0 37 35 2 0 0 0 0 38 8 1 0 0 0 0 39 6 1 0 0 0 0 40 9 1 0 0 0 0 40 36 2 0 0 0 0 41 15 1 0 0 0 0 41 38 2 0 0 0 0 42 12 1 0 0 0 0 43 13 1 0 0 0 0 43 39 2 0 0 0 0 44 17 1 0 0 0 0 44 42 2 0 0 0 0 45 16 1 0 0 0 0 46 11 1 0 0 0 0 47 14 1 0 0 0 0 47 46 2 0 0 0 0 48 19 1 0 0 0 0 48 45 2 0 0 0 0 49 18 1 0 0 0 0 50 20 1 0 0 0 0 50 49 2 0 0 0 0 51 21 2 0 0 0 0 52 22 2 0 0 0 0 52 51 1 0 0 0 0 53 23 2 0 0 0 0 53 51 1 0 0 0 0 54 24 2 0 0 0 0 54 52 1 0 0 0 0 55 26 2 0 0 0 0 55 53 1 0 0 0 0 55 54 1 0 0 0 0 56 25 2 0 0 0 0 57 27 2 0 0 0 0 57 56 1 0 0 0 0 58 28 2 0 0 0 0 58 56 1 0 0 0 0 59 29 2 0 0 0 0 59 57 1 0 0 0 0 60 30 2 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 61 31 1 0 0 0 0 61 35 1 0 0 0 0 62 32 1 0 0 0 0 62 38 1 0 0 0 0 62 61 2 0 0 0 0 63 33 1 0 0 0 0 63 37 1 0 0 0 0 64 34 1 0 0 0 0 64 41 1 0 0 0 0 65 36 1 0 0 0 0 65 42 1 0 0 0 0 65 63 2 0 0 0 0 66 39 1 0 0 0 0 66 45 1 0 0 0 0 66 64 2 0 0 0 0 67 40 1 0 0 0 0 67 44 1 0 0 0 0 68 43 1 0 0 0 0 68 48 1 0 0 0 0 69 46 1 0 0 0 0 69 49 1 0 0 0 0 69 67 2 0 0 0 0 70 47 1 0 0 0 0 70 50 1 0 0 0 0 70 68 2 0 0 0 0 M END > CHEM044002 > chemdb > C=12C3=C4C5=C6C=1C1=C7C8=C2C2=C9C%10=C8C8=C7C7=C%11C1=C6C1=C6C5=C5C4=C4C(=C32)C2=C9C3=C%10C9=C8C8=C7C7=C%10C%12=C%13C%14=C%15C(=C%12C1=C%11%10)C6=C1C%15=C6C%10=C%14C%11=C%12C(=C8C7=C%13%11)C9=C7C%12=C%10C8=C6C(C4=C2C8=C37)=C51 > InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64 > ATLMFJTZZPOKLC-UHFFFAOYSA-N > C70 > 840.77 > 840.0 > 0 > 70 > 68.52724857631982 > 0 > 0 > 0 > 0 > hexatriacontacyclo[20.13.33.1^{4,32}.1^{40,44}.0^{2,38}.0^{3,41}.0^{5,42}.0^{6,31}.0^{7,29}.0^{8,43}.0^{9,45}.0^{10,28}.0^{11,25}.0^{12,46}.0^{13,24}.0^{14,18}.0^{15,47}.0^{16,50}.0^{17,53}.0^{19,23}.0^{20,54}.0^{21,61}.0^{26,68}.0^{27,66}.0^{30,65}.0^{33,64}.0^{34,58}.0^{36,57}.0^{37,51}.0^{39,49}.0^{52,56}.0^{55,60}.0^{59,63}.0^{62,67}.0^{35,70}.0^{48,69}]heptaconta-1(35),2,4(70),5,7,9(45),10(28),11,13,15,17(53),18,20(54),21(61),22(68),23,25,27(66),29,31,33,36,38,40,42,44(69),46,48,50,52(56),55(60),57,59(63),62(67),64-pentatriacontaene > 11.610485296666667 > 0 > 36 > 0 > 0.0 > 271.7470000000001 > 0 > 0 > hexatriacontacyclo[20.13.33.1^{4,32}.1^{40,44}.0^{2,38}.0^{3,41}.0^{5,42}.0^{6,31}.0^{7,29}.0^{8,43}.0^{9,45}.0^{10,28}.0^{11,25}.0^{12,46}.0^{13,24}.0^{14,18}.0^{15,47}.0^{16,50}.0^{17,53}.0^{19,23}.0^{20,54}.0^{21,61}.0^{26,68}.0^{27,66}.0^{30,65}.0^{33,64}.0^{34,58}.0^{36,57}.0^{37,51}.0^{39,49}.0^{52,56}.0^{55,60}.0^{59,63}.0^{62,67}.0^{35,70}.0^{48,69}]heptaconta-1(35),2,4(70),5,7,9(45),10(28),11,13,15,17(53),18,20(54),21(61),22(68),23,25,27(66),29,31,33,36,38,40,42,44(69),46,48,50,52(56),55(60),57,59(63),62(67),64-pentatriacontaene > 1 > Buckyballs (Fullerene C-70) > 115383-22-7 $$$$