@MOLECULE 71587401 33 32 1 SMALL USER_CHARGES @ATOM 1 S1 -1.3285 3.8020 1.1717 S.3 1 noname -0.1652 2 Si1 0.2389 -2.2488 -3.2152 Si 1 noname 0.4483 3 O1 -0.1101 -1.7937 -1.7355 O.3 1 noname -0.1879 4 O2 -1.2404 0.0449 -2.3793 O.2 1 noname -0.2480 5 O3 1.7712 -2.6540 -3.2965 O.3 1 noname -0.3772 6 O4 -0.6597 -3.4955 -3.6112 O.3 1 noname -0.3772 7 O5 3.0382 -0.6152 0.7621 O.2 1 noname -0.2972 8 N1 1.1178 0.2593 0.0002 N.3 1 noname -0.0724 9 C1 -0.2770 0.1433 -0.1706 C.3 1 noname 0.1003 10 C2 -0.8800 1.4730 -0.1667 C.3 1 noname -0.0186 11 C3 -0.5851 2.1628 1.1668 C.3 1 noname -0.0050 12 C4 -0.5719 -0.5464 -1.5041 C.2 1 noname 0.1526 13 C5 1.8016 -0.7180 0.6107 C.2 1 noname 0.0392 14 C6 -0.0653 -0.9690 -4.2873 C.3 1 noname 0.0056 15 C7 1.1024 -1.9030 1.0991 C.3 1 noname 0.0095 16 C8 -0.9816 4.6135 2.7405 C.3 1 noname -0.0184 17 H1 -0.6949 -0.4476 0.6444 H 1 noname 0.0578 18 H2 -1.9582 1.3833 -0.2987 H 1 noname 0.0296 19 H3 -0.4620 2.0639 -0.9817 H 1 noname 0.0296 20 H4 -1.0030 1.5718 1.9818 H 1 noname 0.0380 21 H5 0.4932 2.2524 1.2988 H 1 noname 0.0380 22 H6 1.5824 1.0466 -0.3243 H 1 noname 0.1318 23 H7 0.1744 -1.2815 -5.3036 H 1 noname 0.0268 24 H8 -1.1177 -0.6907 -4.2315 H 1 noname 0.0268 25 H9 0.5518 -0.1127 -4.0154 H 1 noname 0.0268 26 H10 1.2440 -1.9902 2.1764 H 1 noname 0.0324 27 H11 0.0387 -1.8139 0.8785 H 1 noname 0.0324 28 H12 1.5026 -2.7895 0.6072 H 1 noname 0.0324 29 H13 -1.4317 5.6062 2.7434 H 1 noname 0.0343 30 H14 -1.3995 4.0226 3.5555 H 1 noname 0.0343 31 H15 0.0967 4.7032 2.8725 H 1 noname 0.0343 32 H16 1.9469 -3.3931 -2.6774 H 1 noname 0.2030 33 H17 -0.4840 -4.2346 -2.9921 H 1 noname 0.2030 @BOND 1 1 11 1 2 1 16 1 3 2 3 1 4 2 5 1 5 2 6 1 6 2 14 1 7 3 12 1 8 4 12 2 9 5 32 1 10 6 33 1 11 7 13 2 12 9 8 1 13 8 13 1 14 8 22 1 15 9 10 1 16 9 12 1 17 9 17 1 18 10 11 1 19 10 18 1 20 10 19 1 21 11 20 1 22 11 21 1 23 13 15 1 24 14 23 1 25 14 24 1 26 14 25 1 27 15 26 1 28 15 27 1 29 15 28 1 30 16 29 1 31 16 30 1 32 16 31 1 @SUBSTRUCTURE 1 noname 1