@MOLECULE 71356150 76 75 1 SMALL USER_CHARGES @ATOM 1 Si1 5.8471 -4.3976 -0.9024 Si 1 noname 0.2987 2 Si2 8.2780 -3.9610 0.6734 Si 1 noname 0.1798 3 Si3 6.6944 -7.0619 -1.7536 Si 1 noname 0.1798 4 O1 7.3585 -3.7827 -0.7284 O.3 1 noname -0.4160 5 O2 5.8959 -6.0192 -0.7238 O.3 1 noname -0.4160 6 C1 4.8550 -3.6293 0.3059 C.3 1 noname -0.0130 7 C2 3.4309 -4.1130 0.4733 C.3 1 noname -0.0518 8 C3 2.7954 -3.2964 1.6220 C.3 1 noname -0.0534 9 C4 1.3999 -3.8449 1.7942 C.3 1 noname -0.0533 10 C5 0.6823 -3.0423 2.8754 C.3 1 noname -0.0533 11 C6 5.0635 -4.0624 -2.4207 C.3 1 noname -0.0246 12 C7 -0.7411 -3.5951 3.0035 C.3 1 noname -0.0533 13 C8 -1.4904 -2.8014 4.0746 C.3 1 noname -0.0533 14 C9 -2.9248 -3.3451 4.2130 C.3 1 noname -0.0533 15 C10 -3.6751 -2.5430 5.2924 C.3 1 noname -0.0533 16 C11 6.8811 -8.5917 -0.7694 C.3 1 noname -0.0500 17 C12 8.3228 -6.4136 -2.2651 C.3 1 noname -0.0500 18 C13 5.6424 -7.3862 -3.2078 C.3 1 noname -0.0500 19 C14 9.9240 -3.4394 0.1683 C.3 1 noname -0.0500 20 C15 7.6741 -2.9645 2.0505 C.3 1 noname -0.0500 21 C16 8.3417 -5.6433 1.2368 C.3 1 noname -0.0500 22 C17 -5.1131 -3.0605 5.4570 C.3 1 noname -0.0533 23 C18 -5.8805 -2.2801 6.5240 C.3 1 noname -0.0533 24 C19 -7.2882 -2.8509 6.6256 C.3 1 noname -0.0535 25 C20 -8.0196 -2.0484 7.6970 C.3 1 noname -0.0561 26 C21 -9.4403 -2.5920 7.8296 C.3 1 noname -0.0654 27 H1 4.8803 -2.5268 0.1815 H 1 noname 0.0275 28 H2 5.2910 -3.8705 1.2422 H 1 noname 0.0275 29 H3 2.8366 -4.0022 -0.4374 H 1 noname 0.0265 30 H4 3.4546 -5.1640 0.7465 H 1 noname 0.0265 31 H5 2.7678 -2.2309 1.3767 H 1 noname 0.0266 32 H6 3.3477 -3.4116 2.5633 H 1 noname 0.0266 33 H7 0.8511 -3.7595 0.8478 H 1 noname 0.0266 34 H8 1.4466 -4.9016 2.0834 H 1 noname 0.0266 35 H9 0.6512 -1.9854 2.5916 H 1 noname 0.0266 36 H10 1.2132 -3.1396 3.8282 H 1 noname 0.0266 37 H11 4.1049 -4.5870 -2.4454 H 1 noname 0.0238 38 H12 4.8449 -2.9930 -2.5304 H 1 noname 0.0238 39 H13 5.6468 -4.4091 -3.2686 H 1 noname 0.0238 40 H14 -1.2560 -3.5045 2.0402 H 1 noname 0.0266 41 H15 -0.6985 -4.6546 3.2802 H 1 noname 0.0266 42 H16 -1.5167 -1.7434 3.7908 H 1 noname 0.0266 43 H17 -0.9615 -2.8916 5.0297 H 1 noname 0.0266 44 H18 -3.4311 -3.2563 3.2453 H 1 noname 0.0266 45 H19 -2.8757 -4.4054 4.4852 H 1 noname 0.0266 46 H20 -3.6927 -1.4887 4.9993 H 1 noname 0.0266 47 H21 -3.1367 -2.6389 6.2404 H 1 noname 0.0266 48 H22 8.8250 -5.6488 2.2122 H 1 noname 0.0213 49 H23 7.3387 -6.0391 1.3601 H 1 noname 0.0213 50 H24 8.9106 -6.2838 0.5624 H 1 noname 0.0213 51 H25 8.4091 -2.9386 2.8690 H 1 noname 0.0213 52 H26 6.7952 -3.4056 2.5038 H 1 noname 0.0213 53 H27 7.4923 -1.9409 1.7230 H 1 noname 0.0213 54 H28 10.6058 -3.5179 1.0151 H 1 noname 0.0213 55 H29 9.8881 -2.4054 -0.1747 H 1 noname 0.0213 56 H30 10.2752 -4.0789 -0.6415 H 1 noname 0.0213 57 H31 8.8039 -7.1268 -2.9343 H 1 noname 0.0213 58 H32 8.1894 -5.4632 -2.7820 H 1 noname 0.0213 59 H33 8.9471 -6.2635 -1.3843 H 1 noname 0.0213 60 H34 7.3987 -9.3450 -1.3633 H 1 noname 0.0213 61 H35 5.8965 -8.9648 -0.4875 H 1 noname 0.0213 62 H36 7.4594 -8.3772 0.1294 H 1 noname 0.0213 63 H37 6.1583 -8.0670 -3.8849 H 1 noname 0.0213 64 H38 4.7043 -7.8372 -2.8843 H 1 noname 0.0213 65 H39 5.4359 -6.4482 -3.7233 H 1 noname 0.0213 66 H40 -5.6375 -2.9854 4.5044 H 1 noname 0.0266 67 H41 -5.1064 -4.1132 5.7395 H 1 noname 0.0266 68 H42 -5.9341 -1.2298 6.2377 H 1 noname 0.0266 69 H43 -5.3858 -2.3369 7.4936 H 1 noname 0.0266 70 H44 -7.7987 -2.7311 5.6700 H 1 noname 0.0266 71 H45 -7.2830 -3.9068 6.8964 H 1 noname 0.0266 72 H46 -8.0579 -0.9996 7.4026 H 1 noname 0.0264 73 H47 -7.5044 -2.1535 8.6518 H 1 noname 0.0264 74 H48 -9.9756 -2.0272 8.5929 H 1 noname 0.0230 75 H49 -9.9575 -2.4937 6.8752 H 1 noname 0.0230 76 H50 -9.4019 -3.6431 8.1155 H 1 noname 0.0230 @BOND 1 1 4 1 2 1 5 1 3 1 6 1 4 1 11 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 7 1 14 6 27 1 15 6 28 1 16 7 8 1 17 7 29 1 18 7 30 1 19 8 9 1 20 8 31 1 21 8 32 1 22 9 10 1 23 9 33 1 24 9 34 1 25 10 12 1 26 10 35 1 27 10 36 1 28 11 37 1 29 11 38 1 30 11 39 1 31 12 13 1 32 12 40 1 33 12 41 1 34 13 14 1 35 13 42 1 36 13 43 1 37 14 15 1 38 14 44 1 39 14 45 1 40 15 22 1 41 15 46 1 42 15 47 1 43 16 60 1 44 16 61 1 45 16 62 1 46 17 57 1 47 17 58 1 48 17 59 1 49 18 63 1 50 18 64 1 51 18 65 1 52 19 54 1 53 19 55 1 54 19 56 1 55 20 51 1 56 20 52 1 57 20 53 1 58 21 48 1 59 21 49 1 60 21 50 1 61 22 23 1 62 22 66 1 63 22 67 1 64 23 24 1 65 23 68 1 66 23 69 1 67 24 25 1 68 24 70 1 69 24 71 1 70 25 26 1 71 25 72 1 72 25 73 1 73 26 74 1 74 26 75 1 75 26 76 1 @SUBSTRUCTURE 1 noname 1