@MOLECULE 86278301 92 91 1 SMALL USER_CHARGES @ATOM 1 Si1 -5.8059 6.9263 0.9768 Si 1 noname 0.3020 2 Si2 -4.4630 9.4850 0.5744 Si 1 noname 0.3003 3 Si3 -3.3362 5.4248 1.4802 Si 1 noname 0.2972 4 Si4 -4.6289 10.4991 -2.1691 Si 1 noname 0.1798 5 Si5 -3.1651 4.7501 4.3308 Si 1 noname 0.1798 6 O1 -5.0703 8.0423 0.0084 O.3 1 noname -0.3920 7 O2 -4.6668 6.3249 1.9794 O.3 1 noname -0.3922 8 O3 -3.7647 10.1770 -0.7373 O.3 1 noname -0.4159 9 O4 -2.4617 5.2941 2.9021 O.3 1 noname -0.4161 10 O5 -9.6461 7.2305 4.4296 O.3 1 noname -0.3789 11 O6 -12.4258 8.2749 6.3736 O.3 1 noname -0.3762 12 O7 -14.9564 7.4876 8.9828 O.3 1 noname -0.3792 13 N1 -1.1595 11.5020 4.1885 N.3 1 noname -0.3304 14 C1 -7.1038 7.7596 1.7946 C.3 1 noname -0.0108 15 C2 -3.2591 9.2421 1.8413 C.3 1 noname -0.0118 16 C3 -6.5417 5.5718 0.1184 C.3 1 noname -0.0245 17 C4 -5.6553 10.5980 1.2110 C.3 1 noname -0.0246 18 C5 -8.0234 6.9279 2.6926 C.3 1 noname -0.0281 19 C6 -2.7323 10.5241 2.5182 C.3 1 noname -0.0394 20 C7 -3.8093 3.7907 0.8563 C.3 1 noname -0.0248 21 C8 -2.2430 6.2917 0.3523 C.3 1 noname -0.0248 22 C9 -3.3840 11.2017 -3.2921 C.3 1 noname -0.0500 23 C10 -5.3094 8.9438 -2.8301 C.3 1 noname -0.0500 24 C11 -5.9284 11.7120 -1.8232 C.3 1 noname -0.0500 25 C12 -9.0691 7.8610 3.3125 C.3 1 noname 0.0466 26 C13 -1.7448 10.2627 3.6721 C.3 1 noname -0.0078 27 C14 -1.7801 4.7771 5.5090 C.3 1 noname -0.0500 28 C15 -4.4841 5.9093 4.8106 C.3 1 noname -0.0500 29 C16 -3.7850 3.0617 4.0462 C.3 1 noname -0.0500 30 C17 -10.6513 8.1329 4.8354 C.3 1 noname 0.0701 31 C18 -11.4271 7.3978 5.9156 C.3 1 noname 0.0702 32 C19 -13.1764 7.4437 7.2427 C.3 1 noname 0.0728 33 C20 -14.2942 8.2415 7.9427 C.3 1 noname 0.0777 34 C21 -15.3836 8.5431 6.9017 C.3 1 noname -0.0364 35 C22 -14.2514 7.3400 10.2304 C.3 1 noname 0.0360 36 H1 -7.7099 8.2092 1.0100 H 1 noname 0.0276 37 H2 -6.6594 8.5185 2.4194 H 1 noname 0.0276 38 H3 -3.7084 8.6288 2.6179 H 1 noname 0.0276 39 H4 -2.4016 8.7371 1.4318 H 1 noname 0.0276 40 H5 -6.8533 4.8575 0.8809 H 1 noname 0.0239 41 H6 -7.4158 5.9000 -0.4195 H 1 noname 0.0239 42 H7 -5.8518 5.1033 -0.5627 H 1 noname 0.0239 43 H8 -5.3278 11.6148 1.0234 H 1 noname 0.0238 44 H9 -6.6117 10.4185 0.7486 H 1 noname 0.0238 45 H10 -5.7489 10.4928 2.2815 H 1 noname 0.0238 46 H11 -8.5246 6.1671 2.0942 H 1 noname 0.0288 47 H12 -7.4665 6.4355 3.4898 H 1 noname 0.0288 48 H13 -3.5729 11.1127 2.8857 H 1 noname 0.0278 49 H14 -2.2470 11.1566 1.7748 H 1 noname 0.0278 50 H15 -2.9164 3.2476 0.5464 H 1 noname 0.0238 51 H16 -4.4781 3.9070 0.0035 H 1 noname 0.0238 52 H17 -1.4119 5.6412 0.0799 H 1 noname 0.0238 53 H18 -2.7946 6.5715 -0.5452 H 1 noname 0.0238 54 H19 -1.8584 7.1891 0.8369 H 1 noname 0.0238 55 H20 -4.3179 3.2344 1.6436 H 1 noname 0.0238 56 H21 -5.8625 9.1497 -3.7465 H 1 noname 0.0213 57 H22 -3.8508 11.4423 -4.2472 H 1 noname 0.0213 58 H23 -2.9684 12.1083 -2.8522 H 1 noname 0.0213 59 H24 -2.5863 10.4759 -3.4501 H 1 noname 0.0213 60 H25 -6.4836 11.9205 -2.7377 H 1 noname 0.0213 61 H26 -6.6068 11.3125 -1.0693 H 1 noname 0.0213 62 H27 -5.4769 12.6329 -1.4542 H 1 noname 0.0213 63 H28 -5.9786 8.4983 -2.0941 H 1 noname 0.0213 64 H29 -4.4942 8.2530 -3.0452 H 1 noname 0.0213 65 H30 -9.8440 8.0777 2.5771 H 1 noname 0.0566 66 H31 -8.6169 8.7925 3.6527 H 1 noname 0.0566 67 H32 -2.2588 9.7399 4.4787 H 1 noname 0.0425 68 H33 -0.9278 9.6466 3.2965 H 1 noname 0.0425 69 H34 -2.1267 4.4378 6.4851 H 1 noname 0.0213 70 H35 -1.3946 5.7932 5.5933 H 1 noname 0.0213 71 H36 -0.9887 4.1166 5.1547 H 1 noname 0.0213 72 H37 -4.9487 5.5683 5.7358 H 1 noname 0.0213 73 H38 -5.2348 5.9524 4.0215 H 1 noname 0.0213 74 H39 -4.0586 6.9014 4.9619 H 1 noname 0.0213 75 H40 -4.2466 2.6854 4.9591 H 1 noname 0.0213 76 H41 -4.5238 3.0762 3.2449 H 1 noname 0.0213 77 H42 -2.9558 2.4129 3.7642 H 1 noname 0.0213 78 H43 -0.5134 11.2825 4.9493 H 1 noname 0.1184 79 H44 -1.9030 12.1102 4.5377 H 1 noname 0.1184 80 H45 -11.3112 8.3441 3.9940 H 1 noname 0.0590 81 H46 -10.2478 9.0848 5.1810 H 1 noname 0.0590 82 H47 -11.8919 6.5093 5.4882 H 1 noname 0.0590 83 H48 -10.7944 7.1231 6.7596 H 1 noname 0.0590 84 H49 -13.6164 6.6254 6.6728 H 1 noname 0.0593 85 H50 -12.4820 7.0323 7.9753 H 1 noname 0.0593 86 H51 -13.8957 9.2016 8.2941 H 1 noname 0.0624 87 H52 -14.9526 9.1149 6.0799 H 1 noname 0.0257 88 H53 -16.1813 9.1215 7.3678 H 1 noname 0.0257 89 H54 -15.7898 7.6067 6.5191 H 1 noname 0.0257 90 H55 -14.8567 6.7551 10.9228 H 1 noname 0.0529 91 H56 -14.0592 8.3242 10.6577 H 1 noname 0.0529 92 H57 -13.3047 6.8292 10.0545 H 1 noname 0.0529 @BOND 1 1 6 1 2 1 7 1 3 1 14 1 4 1 16 1 5 2 6 1 6 2 8 1 7 2 15 1 8 2 17 1 9 3 7 1 10 3 9 1 11 3 20 1 12 3 21 1 13 4 8 1 14 4 22 1 15 4 23 1 16 4 24 1 17 5 9 1 18 5 27 1 19 5 28 1 20 5 29 1 21 10 25 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 33 1 26 12 35 1 27 13 26 1 28 13 78 1 29 13 79 1 30 14 18 1 31 14 36 1 32 14 37 1 33 15 19 1 34 15 38 1 35 15 39 1 36 16 40 1 37 16 41 1 38 16 42 1 39 17 43 1 40 17 44 1 41 17 45 1 42 18 25 1 43 18 46 1 44 18 47 1 45 19 26 1 46 19 48 1 47 19 49 1 48 20 50 1 49 20 51 1 50 20 55 1 51 21 52 1 52 21 53 1 53 21 54 1 54 22 57 1 55 22 58 1 56 22 59 1 57 23 56 1 58 23 63 1 59 23 64 1 60 24 60 1 61 24 61 1 62 24 62 1 63 25 65 1 64 25 66 1 65 26 67 1 66 26 68 1 67 27 69 1 68 27 70 1 69 27 71 1 70 28 72 1 71 28 73 1 72 28 74 1 73 29 75 1 74 29 76 1 75 29 77 1 76 30 31 1 77 30 80 1 78 30 81 1 79 31 82 1 80 31 83 1 81 32 33 1 82 32 84 1 83 32 85 1 84 33 34 1 85 33 86 1 86 34 87 1 87 34 88 1 88 34 89 1 89 35 90 1 90 35 91 1 91 35 92 1 @SUBSTRUCTURE 1 noname 1