@MOLECULE DB00995 66 66 1 SMALL USER_CHARGES @ATOM 1 Au1 -2.1014 -0.0302 -2.0850 Au 1 noname 0.0922 2 S1 0.2646 0.9036 -2.1054 S.3 1 noname -0.2723 3 P1 -3.3431 -2.1405 -1.8748 P.3 1 noname -0.0548 4 C1 0.8867 0.1013 -0.6125 C.3 1 noname 0.1045 5 C2 -2.8580 -2.8816 -3.3903 C.3 1 noname -0.0782 6 C3 -5.0016 -1.5645 -1.7580 C.3 1 noname -0.0782 7 C4 -2.5587 -2.6826 -0.4058 C.3 1 noname -0.0782 8 O1 0.5180 -1.3157 -0.5797 O.3 1 noname -0.3593 9 C5 0.4066 0.9462 0.6147 C.3 1 noname 0.1291 10 C6 -3.5142 -4.2578 -3.5181 C.3 1 noname -0.0424 11 C7 -5.3580 -0.7769 -3.0204 C.3 1 noname -0.0424 12 C8 -3.1360 -4.0369 0.0107 C.3 1 noname -0.0424 13 C9 0.8550 -1.9390 0.6898 C.3 1 noname 0.1124 14 O2 1.5788 1.3149 1.3456 O.3 1 noname -0.2011 15 C10 -0.5773 0.1176 1.5062 C.3 1 noname 0.1267 16 C11 -0.0054 -1.3087 1.8430 C.3 1 noname 0.1251 17 C12 0.6486 -3.4782 0.6780 C.3 1 noname 0.0854 18 C13 1.5127 2.7265 1.5486 C.2 1 noname 0.1409 19 O3 -1.8517 -0.0416 0.8550 O.3 1 noname -0.2015 20 O4 0.7913 -1.3087 3.0356 O.3 1 noname -0.2016 21 O5 1.2318 -4.1291 -0.4467 O.3 1 noname -0.2060 22 O6 2.4262 3.3122 2.1691 O.2 1 noname -0.2547 23 C14 0.3781 3.4861 1.0315 C.3 1 noname 0.0220 24 C15 -2.7444 1.0798 1.0513 C.2 1 noname 0.1407 25 C16 0.1979 -1.4120 4.2438 C.2 1 noname 0.1407 26 C17 1.1266 -5.4683 -0.5811 C.2 1 noname 0.1390 27 O7 -3.8842 1.0686 0.5382 O.2 1 noname -0.2548 28 C18 -2.3139 2.2246 1.8486 C.3 1 noname 0.0220 29 O8 0.8922 -1.4119 5.2832 O.2 1 noname -0.2548 30 C19 -1.2549 -1.5238 4.3363 C.3 1 noname 0.0220 31 O9 1.6384 -6.0396 -1.5681 O.2 1 noname -0.2552 32 C20 0.4149 -6.2494 0.4265 C.3 1 noname 0.0220 33 H1 1.9507 -0.0651 -0.4439 H 1 noname 0.0718 34 H2 -3.2738 -2.3061 -4.2174 H 1 noname 0.0589 35 H3 -1.7894 -3.0939 -3.3570 H 1 noname 0.0589 36 H4 -5.6780 -2.4190 -1.7736 H 1 noname 0.0589 37 H5 -5.0688 -0.8307 -0.9548 H 1 noname 0.0589 38 H6 -1.5097 -2.8889 -0.6183 H 1 noname 0.0589 39 H7 -2.8278 -2.0110 0.4095 H 1 noname 0.0589 40 H8 -0.0733 1.8829 0.3309 H 1 noname 0.0674 41 H9 -3.7070 -4.6621 -2.5244 H 1 noname 0.0265 42 H10 -4.4549 -4.1628 -4.0605 H 1 noname 0.0265 43 H11 -2.8483 -4.9289 -4.0605 H 1 noname 0.0265 44 H12 -5.5864 -1.4710 -3.8293 H 1 noname 0.0265 45 H13 -6.2273 -0.1494 -2.8238 H 1 noname 0.0265 46 H14 -4.5143 -0.1494 -3.3075 H 1 noname 0.0265 47 H15 -3.1634 -4.1011 1.0984 H 1 noname 0.0265 48 H16 -4.1466 -4.1382 -0.3849 H 1 noname 0.0265 49 H17 -2.5092 -4.8361 -0.3849 H 1 noname 0.0265 50 H18 1.9188 -1.7225 0.7870 H 1 noname 0.0657 51 H19 -0.7887 0.6861 2.4119 H 1 noname 0.0667 52 H20 -0.8635 -1.9384 2.0781 H 1 noname 0.0667 53 H21 1.1885 -3.8870 1.5320 H 1 noname 0.0601 54 H22 -0.4199 -3.6640 0.5689 H 1 noname 0.0601 55 H23 -0.2067 3.8776 1.8638 H 1 noname 0.0336 56 H24 0.7421 4.3134 0.4223 H 1 noname 0.0336 57 H25 -0.2481 2.8343 0.4223 H 1 noname 0.0336 58 H26 -2.4043 1.9842 2.9079 H 1 noname 0.0336 59 H27 -1.2750 2.4590 1.6165 H 1 noname 0.0336 60 H28 -2.9411 3.0854 1.6165 H 1 noname 0.0336 61 H29 -1.5515 -1.5466 5.3849 H 1 noname 0.0336 62 H30 -1.7172 -0.6667 3.8465 H 1 noname 0.0336 63 H31 -1.5806 -2.4414 3.8465 H 1 noname 0.0336 64 H32 0.7155 -5.9195 1.4209 H 1 noname 0.0336 65 H33 -0.6588 -6.1065 0.3053 H 1 noname 0.0336 66 H34 0.6569 -7.3052 0.3053 H 1 noname 0.0336 @BOND 1 1 2 1 2 1 3 1 3 4 2 1 4 3 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 1 9 5 10 1 10 6 11 1 11 7 12 1 12 8 13 1 13 9 14 1 14 9 15 1 15 13 16 1 16 13 17 1 17 14 18 1 18 15 19 1 19 15 16 1 20 16 20 1 21 17 21 1 22 18 22 2 23 18 23 1 24 19 24 1 25 20 25 1 26 21 26 1 27 24 27 2 28 24 28 1 29 25 29 2 30 25 30 1 31 26 31 2 32 26 32 1 33 4 33 1 34 5 34 1 35 5 35 1 36 6 36 1 37 6 37 1 38 7 38 1 39 7 39 1 40 9 40 1 41 10 41 1 42 10 42 1 43 10 43 1 44 11 44 1 45 11 45 1 46 11 46 1 47 12 47 1 48 12 48 1 49 12 49 1 50 13 50 1 51 15 51 1 52 16 52 1 53 17 53 1 54 17 54 1 55 23 55 1 56 23 56 1 57 23 57 1 58 28 58 1 59 28 59 1 60 28 60 1 61 30 61 1 62 30 62 1 63 30 63 1 64 32 64 1 65 32 65 1 66 32 66 1 @SUBSTRUCTURE 1 noname 1