@MOLECULE 83529886 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.4787 -0.9183 0.7801 O.3 1 noname -0.3867 2 N1 -0.3091 -3.5203 0.4802 N.3 1 noname -0.3144 3 C1 0.1790 -2.3331 -0.3207 C.3 1 noname 0.0340 4 C2 -0.1267 -0.9442 0.3496 C.3 1 noname 0.0941 5 C3 0.1304 0.3060 -0.4616 C.2 1 noname -0.0438 6 C4 1.6964 -2.5000 -0.6427 C.3 1 noname -0.0469 7 C5 0.0978 1.5899 0.1492 C.2 1 noname -0.0538 8 C6 0.4541 0.2606 -1.8452 C.2 1 noname -0.0573 9 C7 0.4445 2.7640 -0.5757 C.2 1 noname -0.0557 10 C8 -0.4531 -4.8304 -0.2186 C.3 1 noname -0.0160 11 C9 0.9308 1.3834 -2.5169 C.2 1 noname -0.0602 12 C10 0.9057 2.6552 -1.9075 C.2 1 noname -0.0661 13 C11 0.3530 4.0984 0.0475 C.3 1 noname -0.0019 14 H1 -0.3637 -2.3512 -1.2686 H 1 noname 0.0492 15 H2 0.4598 -0.8985 1.2668 H 1 noname 0.0668 16 H3 2.1408 -1.6463 -1.1507 H 1 noname 0.0247 17 H4 2.2435 -2.6999 0.2786 H 1 noname 0.0247 18 H5 1.8116 -3.3903 -1.2610 H 1 noname 0.0247 19 H6 0.2794 -3.6383 1.3075 H 1 noname 0.1222 20 H7 -0.1624 1.6639 1.1400 H 1 noname 0.0629 21 H8 0.4184 -0.6131 -2.3717 H 1 noname 0.0626 22 H9 -2.0696 -1.0476 0.0091 H 1 noname 0.2109 23 H10 -0.8112 -5.5808 0.4863 H 1 noname 0.0391 24 H11 -1.1672 -4.7297 -1.0359 H 1 noname 0.0391 25 H12 0.5138 -5.1381 -0.6167 H 1 noname 0.0391 26 H13 1.3009 1.2905 -3.4614 H 1 noname 0.0622 27 H14 1.2444 3.4520 -2.4487 H 1 noname 0.0625 28 H15 -0.6757 4.2859 0.3552 H 1 noname 0.0279 29 H16 0.6612 4.8572 -0.6718 H 1 noname 0.0279 30 H17 1.0060 4.1377 0.9194 H 1 noname 0.0279 @BOND 1 1 4 1 2 1 22 1 3 2 3 1 4 2 10 1 5 2 19 1 6 3 4 1 7 3 6 1 8 3 14 1 9 4 5 1 10 4 15 1 11 5 7 1 12 5 8 2 13 6 16 1 14 6 17 1 15 6 18 1 16 7 9 2 17 7 20 1 18 8 11 1 19 8 21 1 20 9 12 1 21 9 13 1 22 10 23 1 23 10 24 1 24 10 25 1 25 11 12 2 26 11 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 13 30 1 @SUBSTRUCTURE 1 noname 1