@MOLECULE 91618084 26 28 1 SMALL USER_CHARGES @ATOM 1 C1 0.0541 0.2312 -0.9999 C.3 1 noname -0.0383 2 C2 -0.1018 1.8537 -0.8931 C.3 1 noname -0.0383 3 C3 1.1571 1.2743 1.2232 C.3 1 noname -0.0383 4 C4 2.2513 0.8266 0.0844 C.3 1 noname -0.0383 5 C5 0.1111 2.3250 0.6165 C.3 1 noname -0.0470 6 C6 1.5860 -0.2278 -0.8887 C.3 1 noname -0.0470 7 C7 -0.5492 -0.4766 0.2855 C.3 1 noname -0.0499 8 C8 1.1404 2.5549 -1.5744 C.3 1 noname -0.0499 9 C9 0.1554 0.0967 1.6079 C.3 1 noname -0.0499 10 C10 2.5196 1.9742 -0.9864 C.3 1 noname -0.0499 11 H1 -0.3834 -0.1567 -1.9240 H 1 noname 0.0305 12 H2 -1.0481 2.2336 -1.2780 H 1 noname 0.0305 13 H3 3.1604 0.3914 0.4994 H 1 noname 0.0305 14 H4 1.6314 1.6895 2.1125 H 1 noname 0.0305 15 H5 -0.8328 2.2512 1.1567 H 1 noname 0.0272 16 H6 0.4869 3.3481 0.6196 H 1 noname 0.0272 17 H7 1.6364 -1.2195 -0.4391 H 1 noname 0.0272 18 H8 2.1061 -0.2042 -1.8463 H 1 noname 0.0272 19 H9 -1.6217 -0.2880 0.3345 H 1 noname 0.0269 20 H10 -0.4255 -1.5582 0.2314 H 1 noname 0.0269 21 H11 1.1059 2.3888 -2.6511 H 1 noname 0.0269 22 H12 1.0912 3.6364 -1.4482 H 1 noname 0.0269 23 H13 -0.6057 0.4755 2.2901 H 1 noname 0.0269 24 H14 0.7439 -0.7001 2.0628 H 1 noname 0.0269 25 H15 3.0843 2.7815 -0.5201 H 1 noname 0.0269 26 H16 3.1565 1.6075 -1.7914 H 1 noname 0.0269 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 11 1 5 2 5 1 6 2 8 1 7 2 12 1 8 3 4 1 9 3 5 1 10 3 9 1 11 3 14 1 12 4 6 1 13 4 10 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