@MOLECULE 91617798 26 28 1 SMALL USER_CHARGES @ATOM 1 C1 -0.2360 -0.3242 -0.0502 C.3 1 noname -0.0383 2 C2 -0.8498 0.7340 1.0468 C.3 1 noname -0.0383 3 C3 1.3951 1.7490 0.4953 C.3 1 noname -0.0383 4 C4 1.8531 0.3313 1.1884 C.3 1 noname -0.0383 5 C5 -0.0872 2.1424 0.9363 C.3 1 noname -0.0470 6 C6 1.1942 -0.8813 0.3958 C.3 1 noname -0.0470 7 C7 -0.4267 0.3028 2.5148 C.3 1 noname -0.0499 8 C8 0.1659 0.4182 -1.3917 C.3 1 noname -0.0499 9 C9 1.1618 0.1101 2.6061 C.3 1 noname -0.0499 10 C10 1.1870 1.6175 -1.0766 C.3 1 noname -0.0499 11 H1 -0.9191 -1.1627 -0.2372 H 1 noname 0.0305 12 H2 -1.9268 0.8775 0.9599 H 1 noname 0.0305 13 H3 2.9338 0.1901 1.2044 H 1 noname 0.0305 14 H4 2.0770 2.5662 0.7307 H 1 noname 0.0305 15 H5 -0.5503 2.7460 0.1558 H 1 noname 0.0272 16 H6 -0.1260 2.6463 1.9020 H 1 noname 0.0272 17 H7 1.0606 -1.7267 1.0707 H 1 noname 0.0272 18 H8 1.7583 -1.1685 -0.4916 H 1 noname 0.0272 19 H9 -0.9217 -0.6327 2.7756 H 1 noname 0.0269 20 H10 -0.7735 1.0297 3.2493 H 1 noname 0.0269 21 H11 -0.7293 0.8187 -1.8676 H 1 noname 0.0269 22 H12 0.6045 -0.2777 -2.1069 H 1 noname 0.0269 23 H13 1.3860 -0.8937 2.9670 H 1 noname 0.0269 24 H14 1.5538 0.8745 3.2771 H 1 noname 0.0269 25 H15 0.7834 2.5509 -1.4690 H 1 noname 0.0269 26 H16 2.1531 1.3728 -1.5179 H 1 noname 0.0269 @BOND 1 1 2 1 2 1 6 1 3 1 8 1 4 1 11 1 5 2 5 1 6 2 7 1 7 2 12 1 8 3 4 1 9 3 5 1 10 3 10 1 11 3 14 1 12 4 6 1 13 4 9 1 14 4 13 1 15 5 15 1 16 5 16 1 17 6 17 1 18 6 18 1 19 7 9 1 20 7 19 1 21 7 20 1 22 8 10 1 23 8 21 1 24 8 22 1 25 9 23 1 26 9 24 1 27 10 25 1 28 10 26 1 @SUBSTRUCTURE 1 noname 1