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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3428 -5.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6255 -5.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6255 -4.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9145 -3.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1996 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1996 -5.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9185 -5.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3428 -6.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5485 -4.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7724 -7.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0487 -7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0487 -8.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3308 -8.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3308 -9.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0461 -9.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7594 -9.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7594 -8.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3337 -7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3365 -7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7724 -3.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4833 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4833 -2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1965 -2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1965 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4863 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7680 -1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7680 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1973 -3.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2012 -3.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9122 -5.5906 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9122 -7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2012 -7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4871 -7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4832 -8.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2012 -8.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4880 -8.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4880 -9.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1982 -10.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9165 -9.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9165 -8.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6244 -6.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3416 -5.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0589 -5.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7659 -5.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4849 -5.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4849 -6.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7699 -7.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0589 -6.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3416 -4.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1947 -6.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9122 -4.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6358 -3.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3510 -4.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3479 -3.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6358 -2.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9252 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9252 -1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6384 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3536 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3536 -2.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 5 1 0 0 0 0\n 4 11 1 0 0 0 0\n 4 12 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 20 15 1 0 0 0 0\n 14 21 1 0 0 0 0\n 14 22 1 0 0 0 0\n 2 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 2 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 30 25 1 0 0 0 0\n 24 31 1 0 0 0 0\n 24 32 1 0 0 0 0\n 1 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 35 37 1 0 0 0 0\n 35 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 2 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 38 1 0 0 0 0\n 33 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 47 46 1 0 0 0 0\n 48 47 2 0 0 0 0\n 49 48 1 0 0 0 0\n 50 49 2 0 0 0 0\n 51 50 1 0 0 0 0\n 46 51 2 0 0 0 0\n 45 52 1 0 0 0 0\n 45 53 1 0 0 0 0\n 33 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 55 57 1 0 0 0 0\n 55 58 1 0 0 0 0\n 59 58 1 0 0 0 0\n 60 59 2 0 0 0 0\n 61 60 1 0 0 0 0\n 62 61 2 0 0 0 0\n 63 62 1 0 0 0 0\n 58 63 2 0 0 0 0\nM END", "smiles": "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6", "formula": "C60H78OSn2", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1052.6832", "optical_activity": "NONE", "references": [ "b9f7c60c-1d52-4dac-b93b-a85b7f246267", "dee1cf93-42f8-43e0-89d6-b1fedecd95bd" ], "stereo_centers": 0 }, "unii": "ZSV4C2L4E7" } ] }