@MOLECULE 72941575 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.1936 -1.2177 -3.9919 O.3 1 noname -0.3959 2 C1 0.0354 0.1921 -0.7130 C.3 1 noname -0.0330 3 C2 1.5693 -0.0548 -0.8704 C.3 1 noname -0.0351 4 C3 1.7475 -1.5204 -0.4109 C.3 1 noname -0.0354 5 C4 0.2846 -1.9456 -0.0891 C.3 1 noname -0.0376 6 C5 -0.2076 -0.6483 0.5617 C.3 1 noname -0.0467 7 C6 -0.9405 -0.5654 -1.6800 C.3 1 noname -0.0147 8 C7 -0.7139 -2.0384 -1.2757 C.3 1 noname -0.0448 9 C8 2.1726 0.0739 -2.2751 C.3 1 noname -0.0499 10 C9 2.4598 -2.2988 -1.5366 C.3 1 noname -0.0499 11 C10 2.9483 -1.2348 -2.5323 C.3 1 noname -0.0527 12 C11 -0.8925 -0.2732 -3.1927 C.3 1 noname 0.0463 13 H1 -0.2236 1.2497 -0.5602 H 1 noname 0.0309 14 H2 2.1357 0.6157 -0.2245 H 1 noname 0.0308 15 H3 2.3765 -1.5733 0.4959 H 1 noname 0.0308 16 H4 0.2378 -2.8247 0.5800 H 1 noname 0.0306 17 H5 -1.2787 -0.7203 0.7507 H 1 noname 0.0272 18 H6 0.3710 -0.3413 1.4330 H 1 noname 0.0272 19 H7 -1.9573 -0.2897 -1.3935 H 1 noname 0.0329 20 H8 -1.6531 -2.4682 -0.9274 H 1 noname 0.0273 21 H9 -0.2718 -2.6388 -2.0707 H 1 noname 0.0273 22 H10 1.3710 0.1710 -3.0073 H 1 noname 0.0269 23 H11 2.8045 0.9564 -2.3753 H 1 noname 0.0269 24 H12 1.7458 -2.9580 -2.0304 H 1 noname 0.0269 25 H13 3.2707 -2.9240 -1.1629 H 1 noname 0.0269 26 H14 2.7587 -1.5755 -3.5502 H 1 noname 0.0267 27 H15 4.0034 -1.0462 -2.3339 H 1 noname 0.0267 28 H16 -1.9075 -0.1563 -3.5725 H 1 noname 0.0566 29 H17 -0.4235 0.7028 -3.3166 H 1 noname 0.0566 30 H18 -0.2244 -0.9377 -4.9306 H 1 noname 0.2100 @BOND 1 1 12 1 2 1 30 1 3 2 3 1 4 2 6 1 5 2 7 1 6 2 13 1 7 3 4 1 8 3 9 1 9 3 14 1 10 4 5 1 11 4 10 1 12 4 15 1 13 5 6 1 14 5 8 1 15 5 16 1 16 6 17 1 17 6 18 1 18 7 8 1 19 7 12 1 20 7 19 1 21 8 20 1 22 8 21 1 23 9 11 1 24 9 22 1 25 9 23 1 26 10 11 1 27 10 24 1 28 10 25 1 29 11 26 1 30 11 27 1 31 12 28 1 32 12 29 1 @SUBSTRUCTURE 1 noname 1