@MOLECULE 86004497 87 88 1 SMALL USER_CHARGES @ATOM 1 Sn1 -1.8290 -2.2003 -0.2212 Sn 1 noname 0.3878 2 S1 -0.8518 -1.6948 -2.3575 S.3 1 noname -0.1841 3 S2 -0.4496 -3.7934 0.9338 S.3 1 noname -0.1841 4 O1 0.0537 -3.8786 -5.5365 O.3 1 noname -0.2046 5 O2 0.7440 -7.4807 0.1129 O.3 1 noname -0.2046 6 O3 0.1958 -1.7215 -4.9048 O.2 1 noname -0.2509 7 O4 1.0110 -5.9752 1.7665 O.2 1 noname -0.2509 8 C1 1.9300 -13.5087 1.0237 C.3 1 noname -0.0509 9 C2 0.3974 -5.5114 -11.5189 C.3 1 noname -0.0509 10 C3 0.6426 -6.7917 -12.3199 C.3 1 noname -0.0471 11 C4 2.1674 -14.7484 0.1590 C.3 1 noname -0.0471 12 C5 1.6871 -12.2968 0.1220 C.3 1 noname -0.0530 13 C6 0.4475 -5.8282 -10.0229 C.3 1 noname -0.0530 14 C7 1.4497 -11.0571 0.9867 C.3 1 noname -0.0511 15 C8 0.2023 -4.5479 -9.2219 C.3 1 noname -0.0511 16 C9 1.2068 -9.8452 0.0850 C.3 1 noname -0.0289 17 C10 0.2524 -4.8648 -7.7259 C.3 1 noname -0.0289 18 C11 2.4103 -15.9603 1.0607 C.3 1 noname -0.0628 19 C12 3.3906 -14.5222 -0.7319 C.3 1 noname -0.0628 20 C13 0.5925 -6.4748 -13.8159 C.3 1 noname -0.0628 21 C14 2.0180 -7.3599 -11.9647 C.3 1 noname -0.0628 22 C15 0.0072 -3.5845 -6.9249 C.3 1 noname 0.0564 23 C16 0.9694 -8.6055 0.9498 C.3 1 noname 0.0564 24 C17 -3.7129 -2.9945 -0.4973 C.2 1 noname -0.0615 25 C18 -1.9683 -0.4726 0.8975 C.2 1 noname -0.0615 26 C19 -0.3280 -5.3008 -0.0422 C.3 1 noname 0.0695 27 C20 -0.7302 -3.2023 -3.3335 C.3 1 noname 0.0695 28 C21 -0.1365 -2.8951 -4.6315 C.2 1 noname 0.1446 29 C22 0.5100 -6.2687 0.6595 C.2 1 noname 0.1446 30 C23 -4.6918 -2.2518 -1.1471 C.2 1 noname -0.0625 31 C24 -2.5058 -0.5156 2.1787 C.2 1 noname -0.0625 32 C25 -4.0032 -4.2723 -0.0337 C.2 1 noname -0.0625 33 C26 -1.5248 0.7345 0.3701 C.2 1 noname -0.0625 34 C27 -2.5996 0.6485 2.9324 C.2 1 noname -0.0632 35 C28 -5.9611 -2.7869 -1.3332 C.2 1 noname -0.0632 36 C29 -5.2726 -4.8074 -0.2198 C.2 1 noname -0.0632 37 C30 -1.6186 1.8987 1.1238 C.2 1 noname -0.0632 38 C31 -2.1561 1.8557 2.4050 C.2 1 noname -0.0629 39 C32 -6.2515 -4.0647 -0.8695 C.2 1 noname -0.0629 40 H1 -0.5824 -5.1065 -11.7720 H 1 noname 0.0269 41 H2 1.1670 -4.7783 -11.7610 H 1 noname 0.0269 42 H3 1.0586 -13.6699 1.6584 H 1 noname 0.0269 43 H4 2.8053 -13.3278 1.6475 H 1 noname 0.0269 44 H5 -0.1269 -7.5247 -12.0778 H 1 noname 0.0297 45 H6 1.2920 -14.9293 -0.4649 H 1 noname 0.0297 46 H7 0.8117 -12.4777 -0.5018 H 1 noname 0.0267 47 H8 2.5585 -12.1356 -0.5126 H 1 noname 0.0267 48 H9 -0.3220 -6.5612 -9.7808 H 1 noname 0.0267 49 H10 1.4274 -6.2331 -9.7699 H 1 noname 0.0267 50 H11 0.5783 -11.2183 1.6214 H 1 noname 0.0267 51 H12 2.3250 -10.8762 1.6106 H 1 noname 0.0267 52 H13 -0.7776 -4.1431 -9.4750 H 1 noname 0.0267 53 H14 0.9719 -3.8149 -9.4640 H 1 noname 0.0267 54 H15 0.3315 -10.0261 -0.5388 H 1 noname 0.0290 55 H16 2.0782 -9.6840 -0.5496 H 1 noname 0.0290 56 H17 -0.5171 -5.5978 -7.4839 H 1 noname 0.0290 57 H18 1.2323 -5.2697 -7.4729 H 1 noname 0.0290 58 H19 2.5794 -16.8435 0.4446 H 1 noname 0.0233 59 H20 1.5389 -16.1215 1.6953 H 1 noname 0.0233 60 H21 3.2856 -15.7794 1.6845 H 1 noname 0.0233 61 H22 3.5597 -15.4054 -1.3479 H 1 noname 0.0233 62 H23 3.2175 -13.6588 -1.3743 H 1 noname 0.0233 63 H24 4.2659 -14.3413 -0.1080 H 1 noname 0.0233 64 H25 0.7672 -7.3869 -14.3865 H 1 noname 0.0233 65 H26 -0.3873 -6.0699 -14.0689 H 1 noname 0.0233 66 H27 1.3621 -5.7418 -14.0580 H 1 noname 0.0233 67 H28 2.1927 -8.2721 -12.5354 H 1 noname 0.0233 68 H29 2.0537 -7.5857 -10.8990 H 1 noname 0.0233 69 H30 2.7876 -6.6269 -12.2068 H 1 noname 0.0233 70 H31 -0.9727 -3.1796 -7.1780 H 1 noname 0.0573 71 H32 0.7768 -2.8515 -7.1670 H 1 noname 0.0573 72 H33 0.0980 -8.7667 1.5844 H 1 noname 0.0573 73 H34 1.8448 -8.4246 1.5736 H 1 noname 0.0573 74 H35 -1.3234 -5.7205 -0.1881 H 1 noname 0.0476 75 H36 0.1152 -5.0715 -1.0112 H 1 noname 0.0476 76 H37 -1.7256 -3.6219 -3.4794 H 1 noname 0.0476 77 H38 -0.1045 -3.9249 -2.8096 H 1 noname 0.0476 78 H39 -4.4787 -1.3141 -1.4873 H 1 noname 0.0616 79 H40 -2.8312 -1.4014 2.5657 H 1 noname 0.0616 80 H41 -3.2849 -4.8173 0.4431 H 1 noname 0.0616 81 H42 -1.1304 0.7661 -0.5701 H 1 noname 0.0616 82 H43 -6.6795 -2.2419 -1.8100 H 1 noname 0.0622 83 H44 -2.9940 0.6170 3.8726 H 1 noname 0.0622 84 H45 -5.4856 -5.7451 0.1205 H 1 noname 0.0622 85 H46 -1.2931 2.7845 0.7368 H 1 noname 0.0622 86 H47 -7.1829 -4.4574 -1.0061 H 1 noname 0.0622 87 H48 -2.2250 2.7099 2.9581 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 1 24 1 4 1 25 1 5 2 27 1 6 3 26 1 7 4 22 1 8 4 28 1 9 5 23 1 10 5 29 1 11 6 28 2 12 7 29 2 13 8 11 1 14 8 12 1 15 8 42 1 16 8 43 1 17 9 10 1 18 9 13 1 19 9 40 1 20 9 41 1 21 10 20 1 22 10 21 1 23 10 44 1 24 11 18 1 25 11 19 1 26 11 45 1 27 12 14 1 28 12 46 1 29 12 47 1 30 13 15 1 31 13 48 1 32 13 49 1 33 14 16 1 34 14 50 1 35 14 51 1 36 15 17 1 37 15 52 1 38 15 53 1 39 16 23 1 40 16 54 1 41 16 55 1 42 17 22 1 43 17 56 1 44 17 57 1 45 18 58 1 46 18 59 1 47 18 60 1 48 19 61 1 49 19 62 1 50 19 63 1 51 20 64 1 52 20 65 1 53 20 66 1 54 21 67 1 55 21 68 1 56 21 69 1 57 22 70 1 58 22 71 1 59 23 72 1 60 23 73 1 61 24 30 2 62 24 32 1 63 25 31 2 64 25 33 1 65 26 29 1 66 26 74 1 67 26 75 1 68 27 28 1 69 27 76 1 70 27 77 1 71 30 35 1 72 30 78 1 73 31 34 1 74 31 79 1 75 32 36 2 76 32 80 1 77 33 37 2 78 33 81 1 79 34 38 2 80 34 83 1 81 35 39 2 82 35 82 1 83 36 39 1 84 36 84 1 85 37 38 1 86 37 85 1 87 38 87 1 88 39 86 1 @SUBSTRUCTURE 1 noname 1