123591 -OEChem-04192419342D 60 90 0 0 0 0 0 0 0999 V2000 3.1354 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 -2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2992 2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1214 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 -1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 -2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 -1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 -0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 0.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6001 0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 -0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5659 -2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2384 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 -1.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9894 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 -1.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 -1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8843 2.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1029 0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6222 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 -3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2616 2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1329 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 -2.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7158 -2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5607 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 -3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2359 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 -2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9902 0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3634 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4866 2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 1 16 1 0 0 0 0 1 36 1 0 0 0 0 2 16 1 0 0 0 0 2 51 2 0 0 0 0 2 53 1 0 0 0 0 3 12 1 0 0 0 0 3 25 2 0 0 0 0 3 50 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 4 40 2 0 0 0 0 5 9 2 0 0 0 0 5 29 1 0 0 0 0 5 47 1 0 0 0 0 6 20 1 0 0 0 0 6 31 1 0 0 0 0 6 55 2 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 7 28 2 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 33 2 0 0 0 0 9 53 1 0 0 0 0 9 59 1 0 0 0 0 10 11 2 0 0 0 0 10 49 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 2 0 0 0 0 13 32 1 0 0 0 0 13 44 1 0 0 0 0 14 37 2 0 0 0 0 14 52 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 46 2 0 0 0 0 16 52 2 0 0 0 0 17 24 1 0 0 0 0 17 43 2 0 0 0 0 18 28 1 0 0 0 0 18 34 2 0 0 0 0 18 41 1 0 0 0 0 19 26 2 0 0 0 0 20 46 1 0 0 0 0 20 56 2 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 45 2 0 0 0 0 22 46 1 0 0 0 0 23 31 2 0 0 0 0 23 54 1 0 0 0 0 24 30 1 0 0 0 0 26 39 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 29 38 2 0 0 0 0 29 51 1 0 0 0 0 30 42 2 0 0 0 0 30 60 1 0 0 0 0 31 60 1 0 0 0 0 32 39 2 0 0 0 0 32 41 1 0 0 0 0 33 40 1 0 0 0 0 33 50 1 0 0 0 0 34 35 1 0 0 0 0 34 43 1 0 0 0 0 35 48 1 0 0 0 0 35 59 2 0 0 0 0 36 48 1 0 0 0 0 36 53 2 0 0 0 0 37 51 1 0 0 0 0 38 55 1 0 0 0 0 40 45 1 0 0 0 0 41 48 2 0 0 0 0 42 43 1 0 0 0 0 42 57 1 0 0 0 0 44 49 2 0 0 0 0 45 56 1 0 0 0 0 47 57 2 0 0 0 0 47 58 1 0 0 0 0 49 52 1 0 0 0 0 50 54 2 0 0 0 0 54 56 1 0 0 0 0 55 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 2 0 0 0 0 M END > 123591 > 1 > 2030 > 0 > 0 > 0 > AAADcQB8AAAAAAAAAAAAAAAAAAAAAYMECBAwYMGDAAAAAAABVAAACAAAAAAADAAAGAAAAMAAAACAAgBAAAACAAAgAAAAiAAAAIgIICKAEBCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAQAACAAAAA== > [60]fullerene > (C60-Ih)[5,6]fullerene > (C60-Ih)[5,6]fullerene > (C60-Ih)[5,6]fullerene > (C60-Ih)[5,6]fullerene > buckminsterfullerene > 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 > 18.3 > 720 > C60 > 720.6 > C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 > C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 > 0 > 720 > 0 > 60 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 16 8 1 36 8 10 11 8 10 49 8 11 14 8 11 22 8 12 23 8 12 24 8 13 32 8 13 44 8 14 37 8 14 52 8 15 37 8 15 38 8 15 46 8 16 52 8 17 24 8 17 43 8 18 28 8 18 34 8 18 41 8 19 26 8 2 16 8 2 51 8 2 53 8 20 46 8 20 56 8 21 25 8 21 27 8 22 45 8 22 46 8 23 31 8 23 54 8 24 30 8 26 39 8 26 44 8 27 28 8 27 39 8 29 38 8 29 51 8 3 12 8 3 25 8 3 50 8 30 42 8 30 60 8 31 60 8 32 39 8 32 41 8 33 40 8 33 50 8 34 35 8 34 43 8 35 48 8 35 59 8 36 48 8 36 53 8 37 51 8 38 55 8 4 10 8 4 19 8 4 40 8 40 45 8 41 48 8 42 43 8 42 57 8 44 49 8 45 56 8 47 57 8 47 58 8 49 52 8 5 29 8 5 47 8 5 9 8 50 54 8 54 56 8 55 58 8 57 59 8 58 60 8 6 20 8 6 31 8 6 55 8 7 17 8 7 25 8 7 28 8 8 19 8 8 21 8 8 33 8 9 53 8 9 59 8 $$$$