@MOLECULE 109374176 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 -0.6437 -0.8519 -0.7625 O.3 1 noname 0.0000 2 O2 0.3289 2.7064 -0.4966 O.3 1 noname 0.0000 3 O3 -1.1809 1.4111 -3.1115 O.3 1 noname 0.0000 4 N1 1.5791 -0.1248 -0.1908 N.3 1 noname 0.0000 5 C1 0.2927 0.2336 -0.8020 C.3 1 noname 0.0000 6 C2 1.3761 0.1450 1.2453 C.3 1 noname 0.0000 7 C3 -0.2395 1.4745 -0.0353 C.3 1 noname 0.0000 8 C4 2.6209 0.6796 -0.9020 C.3 1 noname 0.0000 9 C5 0.2834 1.2168 1.3825 C.3 1 noname 0.0000 10 C6 0.7377 0.5233 -2.1391 C.2 1 noname 0.0000 11 C7 1.8804 -1.5291 -0.4638 C.3 1 noname 0.0000 12 C8 2.0303 0.8349 -2.2054 C.2 1 noname 0.0000 13 C9 -0.1215 0.4810 -3.2814 C.3 1 noname 0.0000 14 H1 1.0536 -0.7686 1.7446 H 1 noname 0.0000 15 H2 2.3022 0.4492 1.7330 H 1 noname 0.0000 16 H3 -1.3247 1.5673 -0.0790 H 1 noname 0.0000 17 H4 2.7136 1.6559 -0.4264 H 1 noname 0.0000 18 H5 3.6192 0.2425 -0.9229 H 1 noname 0.0000 19 H6 -0.5257 0.8333 2.0040 H 1 noname 0.0000 20 H7 0.6681 2.1529 1.7872 H 1 noname 0.0000 21 H8 2.8356 -1.7909 -0.0086 H 1 noname 0.0000 22 H9 1.0941 -2.1574 -0.0453 H 1 noname 0.0000 23 H10 1.9361 -1.6860 -1.5410 H 1 noname 0.0000 24 H11 2.5091 1.1270 -3.0212 H 1 noname 0.0000 25 H12 -1.4856 -0.5722 -1.1788 H 1 noname 0.0000 26 H13 -0.5329 -0.5226 -3.3895 H 1 noname 0.0000 27 H14 0.4482 0.7382 -4.1743 H 1 noname 0.0000 28 H15 -0.0420 3.4513 0.0210 H 1 noname 0.0000 29 H16 -1.7698 1.3820 -3.8944 H 1 noname 0.0000 @BOND 1 5 1 1 2 1 25 1 3 7 2 1 4 2 28 1 5 3 13 1 6 3 29 1 7 4 5 1 8 4 6 1 9 4 8 1 10 4 11 1 11 5 7 1 12 5 10 1 13 6 9 1 14 6 14 1 15 6 15 1 16 7 9 1 17 7 16 1 18 8 12 1 19 8 17 1 20 8 18 1 21 9 19 1 22 9 20 1 23 10 12 2 24 10 13 1 25 11 21 1 26 11 22 1 27 11 23 1 28 12 24 1 29 13 26 1 30 13 27 1 @SUBSTRUCTURE 1 noname 1