@MOLECULE 76969349 70 69 1 SMALL USER_CHARGES @ATOM 1 Si1 4.5723 -4.9044 -1.8747 Si 1 noname 0.2987 2 Si2 2.5801 -5.8076 0.1061 Si 1 noname 0.1798 3 Si3 6.7615 -5.2166 0.0295 Si 1 noname 0.1798 4 O1 3.6737 -6.0767 -1.1700 O.3 1 noname -0.4160 5 O2 5.5823 -4.2989 -0.7427 O.3 1 noname -0.4160 6 O3 1.3101 9.1803 -9.3968 O.3 1 noname -0.2189 7 O4 3.3527 8.5847 -8.7462 O.2 1 noname -0.2559 8 C1 3.4487 -3.7111 -2.4607 C.3 1 noname -0.0130 9 C2 4.1295 -2.5064 -3.0904 C.3 1 noname -0.0518 10 C3 3.0286 -1.5910 -3.6304 C.3 1 noname -0.0534 11 C4 3.7060 -0.3446 -4.1921 C.3 1 noname -0.0533 12 C5 5.4646 -5.4113 -3.3082 C.3 1 noname -0.0246 13 C6 2.6279 0.5806 -4.7448 C.3 1 noname -0.0533 14 C7 3.3057 1.8353 -5.3173 C.3 1 noname -0.0533 15 C8 2.2185 2.7614 -5.8781 C.3 1 noname -0.0533 16 C9 7.3764 -4.1042 1.3263 C.3 1 noname -0.0500 17 C10 6.0714 -6.7311 0.7373 C.3 1 noname -0.0500 18 C11 8.0629 -5.6082 -1.1499 C.3 1 noname -0.0500 19 C12 2.2600 -7.4974 0.6964 C.3 1 noname -0.0500 20 C13 1.0431 -5.0799 -0.5347 C.3 1 noname -0.0500 21 C14 3.3142 -4.7838 1.4260 C.3 1 noname -0.0500 22 C15 2.8414 4.0294 -6.4656 C.3 1 noname -0.0533 23 C16 1.7621 4.9540 -7.0172 C.3 1 noname -0.0528 24 C17 2.5122 6.1544 -7.5529 C.3 1 noname -0.0439 25 C18 1.5060 7.1751 -8.0829 C.3 1 noname 0.0335 26 C19 2.1145 8.3310 -8.7434 C.2 1 noname 0.1348 27 H1 2.8318 -3.3444 -1.6506 H 1 noname 0.0275 28 H2 2.7953 -4.1899 -3.1967 H 1 noname 0.0275 29 H3 4.7219 -1.9849 -2.3329 H 1 noname 0.0265 30 H4 4.7853 -2.7770 -3.9233 H 1 noname 0.0265 31 H5 2.3387 -1.3096 -2.8289 H 1 noname 0.0266 32 H6 2.4667 -2.1031 -4.4201 H 1 noname 0.0266 33 H7 4.2605 0.1578 -3.3927 H 1 noname 0.0266 34 H8 4.4039 -0.6282 -4.9866 H 1 noname 0.0266 35 H9 6.1796 -4.6364 -3.5835 H 1 noname 0.0238 36 H10 4.7995 -5.5325 -4.1637 H 1 noname 0.0238 37 H11 5.9985 -6.3346 -3.1629 H 1 noname 0.0238 38 H12 1.9334 0.8592 -3.9444 H 1 noname 0.0266 39 H13 2.0666 0.0634 -5.5310 H 1 noname 0.0266 40 H14 3.8674 2.3332 -4.5182 H 1 noname 0.0266 41 H15 4.0047 1.5339 -6.1064 H 1 noname 0.0266 42 H16 1.5317 3.0322 -5.0700 H 1 noname 0.0266 43 H17 1.6686 2.2298 -6.6610 H 1 noname 0.0266 44 H18 8.9074 -6.0753 -0.6403 H 1 noname 0.0213 45 H19 7.6898 -6.3235 -1.8732 H 1 noname 0.0213 46 H20 1.5595 -7.4642 1.5308 H 1 noname 0.0213 47 H21 1.8334 -8.0902 -0.1127 H 1 noname 0.0213 48 H22 3.1952 -7.9508 1.0249 H 1 noname 0.0213 49 H23 0.3498 -4.9114 0.2893 H 1 noname 0.0213 50 H24 0.5916 -5.7611 -1.2559 H 1 noname 0.0213 51 H25 1.2661 -4.1306 -1.0219 H 1 noname 0.0213 52 H26 2.5828 -4.6363 2.2206 H 1 noname 0.0213 53 H27 3.6054 -3.8166 1.0161 H 1 noname 0.0213 54 H28 4.1929 -5.2867 1.8297 H 1 noname 0.0213 55 H29 8.4177 -4.6962 -1.6301 H 1 noname 0.0213 56 H30 6.8637 -7.2969 1.2274 H 1 noname 0.0213 57 H31 5.3037 -6.4741 1.4671 H 1 noname 0.0213 58 H32 5.6310 -7.3351 -0.0560 H 1 noname 0.0213 59 H33 8.1573 -4.6074 1.8965 H 1 noname 0.0213 60 H34 6.5568 -3.8344 1.9923 H 1 noname 0.0213 61 H35 7.7842 -3.2029 0.8686 H 1 noname 0.0213 62 H36 3.4047 4.5499 -5.6910 H 1 noname 0.0266 63 H37 3.5365 3.7823 -7.2680 H 1 noname 0.0266 64 H38 1.1042 5.2685 -6.2071 H 1 noname 0.0267 65 H39 1.1664 4.4853 -7.8005 H 1 noname 0.0267 66 H40 3.0980 6.6042 -6.7512 H 1 noname 0.0272 67 H41 3.1913 5.8714 -8.3571 H 1 noname 0.0272 68 H42 0.8184 6.6838 -8.7712 H 1 noname 0.0372 69 H43 0.8382 7.5162 -7.2919 H 1 noname 0.0372 70 H44 1.7062 9.9525 -9.8447 H 1 noname 0.2213 @BOND 1 1 4 1 2 1 5 1 3 1 8 1 4 1 12 1 5 2 4 1 6 2 19 1 7 2 20 1 8 2 21 1 9 3 5 1 10 3 16 1 11 3 17 1 12 3 18 1 13 6 26 1 14 6 70 1 15 7 26 2 16 8 9 1 17 8 27 1 18 8 28 1 19 9 10 1 20 9 29 1 21 9 30 1 22 10 11 1 23 10 31 1 24 10 32 1 25 11 13 1 26 11 33 1 27 11 34 1 28 12 35 1 29 12 36 1 30 12 37 1 31 13 14 1 32 13 38 1 33 13 39 1 34 14 15 1 35 14 40 1 36 14 41 1 37 15 22 1 38 15 42 1 39 15 43 1 40 16 59 1 41 16 60 1 42 16 61 1 43 17 56 1 44 17 57 1 45 17 58 1 46 18 44 1 47 18 45 1 48 18 55 1 49 19 46 1 50 19 47 1 51 19 48 1 52 20 49 1 53 20 50 1 54 20 51 1 55 21 52 1 56 21 53 1 57 21 54 1 58 22 23 1 59 22 62 1 60 22 63 1 61 23 24 1 62 23 64 1 63 23 65 1 64 24 25 1 65 24 66 1 66 24 67 1 67 25 26 1 68 25 68 1 69 25 69 1 @SUBSTRUCTURE 1 noname 1