Marvin 01200911322D 117140 0 0 1 0 999 V2000 1.9966 -3.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2532 -3.5526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3640 -4.3701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 -4.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -3.7909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -2.3771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 -2.9563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -1.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -5.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -3.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 -0.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -1.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6087 -0.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 -3.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9961 -3.1949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5663 -3.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -4.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3635 -4.3703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 -2.9564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -2.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 -2.3773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 -5.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 -2.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 -3.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 -1.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7424 -0.4312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5640 -0.3573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8883 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -1.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -1.3094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 -0.0081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6926 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 -2.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 2.0121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6705 2.6571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1250 3.3456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9203 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 2.3019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 1.3235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 2.3672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5653 3.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 3.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 1.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 3.7445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4124 3.7446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6673 4.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 5.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 4.5291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 2.9599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 2.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 5.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 3.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 3.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6703 2.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1847 2.0123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9571 2.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 3.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 3.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 2.3674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 1.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 3.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 1.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 3.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -0.4309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5590 -1.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2672 -1.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8885 -1.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 -0.3569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0343 -0.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 -1.3092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -2.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 0.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -2.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6323 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1714 2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0825 4.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 4.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 -1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7524 -2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -2.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -4.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -8.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -6.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 -6.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 -7.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -6.8624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4302 -7.6874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6339 -8.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6456 -7.9423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 -8.6166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 -5.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6456 -6.6075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 -5.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -7.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -7.2749 0.0000 Pt 0 0 0 0 0 0 0 0 0 0 0 0 -0.6446 -6.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6446 -7.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 -8.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 4 10 2 0 0 0 0 2 11 1 1 0 0 0 1 12 1 1 0 0 0 25 15 2 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 22 27 2 0 0 0 0 20 28 1 1 0 0 0 19 29 1 1 0 0 0 36 13 2 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 37 36 1 0 0 0 0 33 38 2 0 0 0 0 31 39 1 1 0 0 0 30 40 1 1 0 0 0 47 14 2 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 48 47 1 0 0 0 0 44 49 2 0 0 0 0 42 50 1 1 0 0 0 41 51 1 1 0 0 0 58 16 2 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 56 55 1 0 0 0 0 57 58 1 0 0 0 0 59 58 1 0 0 0 0 55 60 2 0 0 0 0 53 61 1 1 0 0 0 52 62 1 1 0 0 0 69 18 2 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 67 66 1 0 0 0 0 68 69 1 0 0 0 0 70 69 1 0 0 0 0 66 71 2 0 0 0 0 64 72 1 1 0 0 0 63 73 1 1 0 0 0 80 17 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 78 77 1 0 0 0 0 79 80 1 0 0 0 0 81 80 1 0 0 0 0 75 81 1 0 0 0 0 77 82 2 0 0 0 0 75 83 1 1 0 0 0 74 84 1 1 0 0 0 81 85 1 0 0 0 0 6 85 1 0 0 0 0 76 86 1 0 0 0 0 5 86 1 0 0 0 0 79 87 1 0 0 0 0 74 79 1 0 0 0 0 74 78 1 0 0 0 0 78 88 1 0 0 0 0 64 65 1 0 0 0 0 65 88 1 0 0 0 0 64 70 1 0 0 0 0 70 87 1 0 0 0 0 67 90 1 0 0 0 0 63 67 1 0 0 0 0 63 68 1 0 0 0 0 68 89 1 0 0 0 0 53 54 1 0 0 0 0 54 90 1 0 0 0 0 53 59 1 0 0 0 0 59 89 1 0 0 0 0 57 91 1 0 0 0 0 52 57 1 0 0 0 0 52 56 1 0 0 0 0 56 92 1 0 0 0 0 42 43 1 0 0 0 0 43 92 1 0 0 0 0 42 48 1 0 0 0 0 48 91 1 0 0 0 0 31 32 1 0 0 0 0 32 94 1 0 0 0 0 41 45 1 0 0 0 0 45 94 1 0 0 0 0 41 46 1 0 0 0 0 46 93 1 0 0 0 0 31 37 1 0 0 0 0 37 93 1 0 0 0 0 30 35 1 0 0 0 0 35 95 1 0 0 0 0 30 34 1 0 0 0 0 34 96 1 0 0 0 0 20 21 1 0 0 0 0 21 96 1 0 0 0 0 20 26 1 0 0 0 0 26 95 1 0 0 0 0 24 97 1 0 0 0 0 19 24 1 0 0 0 0 19 23 1 0 0 0 0 23 98 1 0 0 0 0 2 3 1 0 0 0 0 3 98 1 0 0 0 0 2 8 1 0 0 0 0 8 97 1 0 0 0 0 99104 1 0 0 0 0 99102 1 0 0 0 0 103100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 103109 1 6 0 0 0 103104 1 0 0 0 0 104106 1 1 0 0 0 106113 1 0 0 0 0 113109 1 0 0 0 0 106105 1 0 0 0 0 106107 1 0 0 0 0 109108 1 0 0 0 0 109110 1 0 0 0 0 116112 2 0 0 0 0 111117 2 0 0 0 0 111114 1 0 0 0 0 111112 1 0 0 0 0 112115 1 0 0 0 0 115113 1 0 0 0 0 113114 1 0 0 0 0 M END > CHEBI:51436 > cucurbit[7]uril--oxaliplatin > 3 > cucurbit[7]uril--oxaliplatin complex (1:1) > C50H56N30O18Pt > 1560.24904 > 1559.40368 > 0 > [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1.[H][C@@]12N3CN4C(=O)N5CN6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN%12C(=O)N%13CN%14C(=O)N%15CN(C3=O)[C@]1([H])N1CN3C(=O)N(CN%16C(=O)N(CN%17C(=O)N(CN%18C(=O)N(CN%19C(=O)N(CN%20C(=O)N(CN2C1=O)[C@]4([H])[C@@]5%20[H])[C@]6([H])[C@@]7%19[H])[C@]8([H])[C@@]9%18[H])[C@]%10([H])[C@@]%11%17[H])[C@]%12([H])[C@@]%13%16[H])[C@]%14([H])[C@@]%153[H] > InChI=1S/C42H42N28O14.C6H14N2.C2H2O4.Pt/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h15-28H,1-14H2;5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;;+2/p-2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+;5-,6-;;/m.1../s1 > OSXRTFYXDINGDM-YBQCJDBMSA-L $$$$