@MOLECULE 91810500 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 -0.2604 2.5495 -1.2282 N.3 1 noname -0.2934 2 N2 -0.9483 3.1752 1.5153 N.3 1 noname -0.3135 3 C1 -1.6853 2.5011 -0.7112 C.3 1 noname 0.0476 4 C2 0.3581 1.2393 -1.5779 C.3 1 noname 0.0030 5 C3 -1.7424 2.1599 0.8030 C.3 1 noname 0.0151 6 C4 0.6598 3.4336 -0.4371 C.3 1 noname 0.0114 7 C5 -2.5838 1.5507 -1.4017 C.2 1 noname -0.0491 8 C6 -0.5637 0.4228 -2.5151 C.3 1 noname 0.0157 9 C7 -2.0152 0.5513 -2.2709 C.2 1 noname -0.0469 10 C8 0.4777 3.2231 1.0975 C.3 1 noname 0.0081 11 C9 -3.9992 1.6924 -1.2640 C.2 1 noname -0.0529 12 C10 -2.8753 -0.3087 -3.0162 C.2 1 noname -0.0611 13 C11 -4.8461 0.8305 -2.0170 C.2 1 noname -0.0658 14 C12 -4.2911 -0.1590 -2.8835 C.2 1 noname -0.0622 15 H1 -2.1046 3.4997 -0.8768 H 1 noname 0.0531 16 H2 0.5450 0.6710 -0.6667 H 1 noname 0.0434 17 H3 1.3554 1.3795 -1.9948 H 1 noname 0.0434 18 H4 -2.7762 2.2008 1.1460 H 1 noname 0.0447 19 H5 -1.3124 1.1686 0.9466 H 1 noname 0.0447 20 H6 0.4648 4.4766 -0.6864 H 1 noname 0.0444 21 H7 1.6987 3.2329 -0.6986 H 1 noname 0.0444 22 H8 -0.3457 0.6783 -3.5520 H 1 noname 0.0329 23 H9 -0.2919 -0.6325 -2.4904 H 1 noname 0.0329 24 H10 0.9759 2.3018 1.3995 H 1 noname 0.0441 25 H11 0.9961 4.0160 1.6365 H 1 noname 0.0441 26 H12 -1.0029 3.0060 2.5218 H 1 noname 0.1223 27 H13 -4.3942 2.3958 -0.6397 H 1 noname 0.0626 28 H14 -2.4860 -1.0201 -3.6348 H 1 noname 0.0625 29 H15 -5.8589 0.9209 -1.9366 H 1 noname 0.0622 30 H16 -4.9132 -0.7677 -3.4153 H 1 noname 0.0622 @BOND 1 1 3 1 2 1 4 1 3 1 6 1 4 2 5 1 5 2 10 1 6 2 26 1 7 3 5 1 8 3 7 1 9 3 15 1 10 4 8 1 11 4 16 1 12 4 17 1 13 5 18 1 14 5 19 1 15 6 10 1 16 6 20 1 17 6 21 1 18 7 9 1 19 7 11 2 20 8 9 1 21 8 22 1 22 8 23 1 23 9 12 2 24 10 24 1 25 10 25 1 26 11 13 1 27 11 27 1 28 12 14 1 29 12 28 1 30 13 14 2 31 13 29 1 32 14 30 1 @SUBSTRUCTURE 1 noname 1