Mrv1652306031607312D 60 90 0 0 0 0 999 V2000 1.5337 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 -0.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 0.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 -0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 2.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1793 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 -1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 1.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3449 -2.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3279 1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 -2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1683 0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0339 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1707 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5734 -1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 -1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0313 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4508 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 12 10 1 0 0 0 0 13 5 2 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 16 15 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 21 17 2 0 0 0 0 22 14 2 0 0 0 0 22 18 1 0 0 0 0 23 13 1 0 0 0 0 24 14 1 0 0 0 0 24 23 2 0 0 0 0 25 15 2 0 0 0 0 26 16 1 0 0 0 0 27 17 1 0 0 0 0 27 19 2 0 0 0 0 28 18 2 0 0 0 0 28 20 1 0 0 0 0 29 19 1 0 0 0 0 29 25 1 0 0 0 0 30 20 2 0 0 0 0 30 26 1 0 0 0 0 31 21 1 0 0 0 0 32 22 1 0 0 0 0 33 23 1 0 0 0 0 33 31 2 0 0 0 0 34 24 1 0 0 0 0 34 32 2 0 0 0 0 35 25 1 0 0 0 0 36 26 2 0 0 0 0 36 35 1 0 0 0 0 37 27 1 0 0 0 0 38 28 1 0 0 0 0 39 29 2 0 0 0 0 40 30 1 0 0 0 0 41 31 1 0 0 0 0 41 37 2 0 0 0 0 42 32 1 0 0 0 0 42 38 2 0 0 0 0 43 33 1 0 0 0 0 44 34 1 0 0 0 0 44 43 2 0 0 0 0 45 35 2 0 0 0 0 45 39 1 0 0 0 0 46 36 1 0 0 0 0 46 40 2 0 0 0 0 47 37 1 0 0 0 0 47 39 1 0 0 0 0 48 38 1 0 0 0 0 48 40 1 0 0 0 0 49 41 1 0 0 0 0 50 42 1 0 0 0 0 51 43 1 0 0 0 0 51 49 2 0 0 0 0 52 44 1 0 0 0 0 52 50 2 0 0 0 0 53 45 1 0 0 0 0 54 46 1 0 0 0 0 54 53 1 0 0 0 0 55 47 2 0 0 0 0 55 49 1 0 0 0 0 56 48 2 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 57 52 1 0 0 0 0 58 53 2 0 0 0 0 58 55 1 0 0 0 0 59 54 2 0 0 0 0 59 56 1 0 0 0 0 60 57 2 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 M END > CHEM043986 > chemdb > C12=C3C4=C5C6=C7C3=C3C8=C1C1=C9C8=C8C%10=C%11C%12=C8C8=C9C9=C%13C1=C1C2=C4C2=C4C1=C%13C1=C%13C4=C4C2=C5C2=C6C5=C(C7=C3%10)C%11=C3C5=C5C2=C4C2=C%13C4=C1C9=C8C1=C4C(C3=C%121)=C52 > InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59 > XMWRBQBLMFGWIX-UHFFFAOYSA-N > C60 > 720.66 > 720.0 > 0 > 60 > 57.557966057607274 > 0 > 0 > 0 > 0 > hentriacontacyclo[10.10.37.1^{3,7}.0^{2,16}.0^{4,23}.0^{5,29}.0^{6,31}.0^{8,13}.0^{9,32}.0^{10,34}.0^{11,50}.0^{15,58}.0^{17,57}.0^{18,22}.0^{19,55}.0^{20,44}.0^{21,25}.0^{24,28}.0^{26,43}.0^{27,40}.0^{30,39}.0^{33,38}.0^{35,49}.0^{36,47}.0^{37,41}.0^{42,46}.0^{45,54}.0^{48,53}.0^{51,59}.0^{52,56}.0^{14,60}]hexaconta-1(22),2(16),3,5(29),6,8(13),9,11(50),12(59),14(60),15(58),17(57),18,20,23,25,27,30(39),31,33,35,37,40,42,44,46,48,51,53,55-triacontaene > 9.95184454 > 0 > 31 > 0 > 0.0 > 232.92600000000016 > 0 > 0 > hentriacontacyclo[10.10.37.1^{3,7}.0^{2,16}.0^{4,23}.0^{5,29}.0^{6,31}.0^{8,13}.0^{9,32}.0^{10,34}.0^{11,50}.0^{15,58}.0^{17,57}.0^{18,22}.0^{19,55}.0^{20,44}.0^{21,25}.0^{24,28}.0^{26,43}.0^{27,40}.0^{30,39}.0^{33,38}.0^{35,49}.0^{36,47}.0^{37,41}.0^{42,46}.0^{45,54}.0^{48,53}.0^{51,59}.0^{52,56}.0^{14,60}]hexaconta-1(22),2(16),3,5(29),6,8(13),9,11(50),12(59),14(60),15(58),17(57),18,20,23,25,27,30(39),31,33,35,37,40,42,44,46,48,51,53,55-triacontaene > 1 > Buckyballs (Fullerene C-60) > 99685-96-8 $$$$