@MOLECULE 85532537 62 61 1 SMALL USER_CHARGES @ATOM 1 Sn1 -4.5707 2.5222 0.9235 Sn 1 noname 0.3885 2 S1 -5.1562 4.7971 0.4167 S.3 1 noname -0.1824 3 S2 -5.6406 1.0509 -0.6465 S.3 1 noname -0.1824 4 S3 -5.2988 1.9846 3.1495 S.3 1 noname -0.1824 5 O1 -4.6544 7.1070 -2.7625 O.3 1 noname -0.2164 6 O2 -8.8360 1.9358 4.9331 O.3 1 noname -0.2164 7 O3 -5.4860 0.6770 -4.5875 O.3 1 noname -0.2164 8 O4 -5.5599 7.2790 -0.7075 O.2 1 noname -0.2527 9 O5 -6.5419 -0.3141 -2.8626 O.2 1 noname -0.2527 10 O6 -6.6931 1.5046 5.4760 O.2 1 noname -0.2527 11 C1 -0.0100 2.8015 -2.1386 C.3 1 noname -0.0533 12 C2 1.5076 2.6322 -2.2336 C.3 1 noname -0.0533 13 C3 -0.4737 2.4592 -0.7213 C.3 1 noname -0.0539 14 C4 1.9712 2.9745 -3.6509 C.3 1 noname -0.0533 15 C5 -1.9913 2.6285 -0.6263 C.3 1 noname -0.0576 16 C6 3.4889 2.8053 -3.7459 C.3 1 noname -0.0533 17 C7 3.9525 3.1476 -5.1632 C.3 1 noname -0.0533 18 C8 -2.4549 2.2862 0.7911 C.3 1 noname -0.0447 19 C9 5.4701 2.9783 -5.2582 C.3 1 noname -0.0533 20 C10 5.9337 3.3206 -6.6755 C.3 1 noname -0.0535 21 C11 7.4514 3.1513 -6.7705 C.3 1 noname -0.0561 22 C12 7.9150 3.4936 -8.1878 C.3 1 noname -0.0654 23 C13 -5.0952 1.4537 -2.3139 C.3 1 noname 0.0695 24 C14 -4.6107 5.1998 -1.2507 C.3 1 noname 0.0695 25 C15 -7.0843 2.1838 3.2613 C.3 1 noname 0.0695 26 C16 -5.7452 0.5597 -3.2679 C.2 1 noname 0.1394 27 C17 -4.9664 6.5819 -1.5586 C.2 1 noname 0.1394 28 C18 -7.5267 1.8571 4.6138 C.2 1 noname 0.1394 29 H1 -0.4954 2.1342 -2.8507 H 1 noname 0.0266 30 H2 -0.2756 3.8334 -2.3685 H 1 noname 0.0266 31 H3 1.7732 1.6004 -2.0037 H 1 noname 0.0266 32 H4 1.9929 3.2996 -1.5214 H 1 noname 0.0266 33 H5 -0.2081 1.4274 -0.4914 H 1 noname 0.0266 34 H6 0.0117 3.1266 -0.0091 H 1 noname 0.0266 35 H7 1.4859 2.3072 -4.3631 H 1 noname 0.0266 36 H8 1.7056 4.0064 -3.8808 H 1 noname 0.0266 37 H9 -2.4766 1.9611 -1.3384 H 1 noname 0.0260 38 H10 -2.2569 3.6604 -0.8561 H 1 noname 0.0260 39 H11 3.7544 1.7734 -3.5160 H 1 noname 0.0266 40 H12 3.9742 3.4726 -3.0337 H 1 noname 0.0266 41 H13 3.4671 2.4802 -5.8754 H 1 noname 0.0266 42 H14 3.6869 4.1794 -5.3931 H 1 noname 0.0266 43 H15 -2.1893 1.2544 1.0209 H 1 noname 0.0204 44 H16 -1.9696 2.9536 1.5032 H 1 noname 0.0204 45 H17 5.7357 1.9464 -5.0283 H 1 noname 0.0266 46 H18 5.9554 3.6456 -4.5461 H 1 noname 0.0266 47 H19 5.4484 2.6532 -7.3877 H 1 noname 0.0266 48 H20 5.6681 4.3524 -6.9054 H 1 noname 0.0266 49 H21 7.7169 2.1194 -6.5406 H 1 noname 0.0264 50 H22 7.9367 3.8186 -6.0584 H 1 noname 0.0264 51 H23 8.9962 3.3730 -8.2555 H 1 noname 0.0230 52 H24 7.4297 2.8262 -8.9000 H 1 noname 0.0230 53 H25 7.6494 4.5254 -8.4177 H 1 noname 0.0230 54 H26 -7.5696 1.5164 2.5491 H 1 noname 0.0476 55 H27 -7.3499 3.2156 3.0314 H 1 noname 0.0476 56 H28 -5.0960 4.5324 -1.9629 H 1 noname 0.0476 57 H29 -3.5295 5.0792 -1.3184 H 1 noname 0.0476 58 H30 -5.3607 2.4855 -2.5438 H 1 noname 0.0476 59 H31 -4.0140 1.3331 -2.3816 H 1 noname 0.0476 60 H32 -5.5302 -0.1117 -5.1675 H 1 noname 0.2213 61 H33 -5.2195 7.8056 -3.1537 H 1 noname 0.2213 62 H34 -9.1045 2.1549 5.8498 H 1 noname 0.2213 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 18 1 5 2 24 1 6 3 23 1 7 4 25 1 8 5 27 1 9 5 61 1 10 6 28 1 11 6 62 1 12 7 26 1 13 7 60 1 14 8 27 2 15 9 26 2 16 10 28 2 17 11 12 1 18 11 13 1 19 11 29 1 20 11 30 1 21 12 14 1 22 12 31 1 23 12 32 1 24 13 15 1 25 13 33 1 26 13 34 1 27 14 16 1 28 14 35 1 29 14 36 1 30 15 18 1 31 15 37 1 32 15 38 1 33 16 17 1 34 16 39 1 35 16 40 1 36 17 19 1 37 17 41 1 38 17 42 1 39 18 43 1 40 18 44 1 41 19 20 1 42 19 45 1 43 19 46 1 44 20 21 1 45 20 47 1 46 20 48 1 47 21 22 1 48 21 49 1 49 21 50 1 50 22 51 1 51 22 52 1 52 22 53 1 53 23 26 1 54 23 58 1 55 23 59 1 56 24 27 1 57 24 56 1 58 24 57 1 59 25 28 1 60 25 54 1 61 25 55 1 @SUBSTRUCTURE 1 noname 1