@MOLECULE DB04274 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.7254 -1.1272 -0.8933 O.2 1 noname -0.2941 2 C1 1.2828 -0.1079 -0.3208 C.2 1 noname 0.1036 3 C2 -0.0538 -0.0498 0.3126 C.2 1 noname -0.0045 4 C3 2.0916 1.2329 -0.2049 C.3 1 noname 0.0420 5 C4 -0.8124 1.1169 0.0516 C.2 1 noname 0.0470 6 C5 -0.4104 -0.8906 1.3604 C.2 1 noname -0.0016 7 C6 1.1819 2.4201 -0.6925 C.3 1 noname 0.0965 8 O2 -0.2666 2.1453 -0.7349 O.3 1 noname -0.2602 9 C7 -2.0713 1.2691 0.6207 C.2 1 noname 0.0087 10 C8 -1.5117 -0.5862 2.1519 C.2 1 noname -0.0314 11 C9 1.6308 2.8689 -2.0073 C.2 1 noname -0.0419 12 C10 -2.4220 0.4159 1.6972 C.2 1 noname 0.0250 13 C11 2.0559 4.1801 -2.1863 C.2 1 noname -0.0487 14 C12 1.6330 1.9850 -3.0800 C.2 1 noname -0.0487 15 O3 -3.6241 0.5515 2.2964 O.3 1 noname -0.2825 16 C13 2.4833 4.6075 -3.4380 C.2 1 noname -0.0583 17 C14 2.0604 2.4123 -4.3318 C.2 1 noname -0.0583 18 C15 2.4856 3.7236 -4.5107 C.2 1 noname -0.0610 19 H1 2.2843 1.3955 0.8556 H 1 noname 0.0381 20 H2 2.9237 1.1621 -0.9054 H 1 noname 0.0381 21 H3 0.1737 -1.7888 1.5614 H 1 noname 0.0632 22 H4 1.2551 3.2453 0.0158 H 1 noname 0.0665 23 H5 -2.7557 2.0265 0.2385 H 1 noname 0.0677 24 H6 -1.6562 -1.1139 3.0946 H 1 noname 0.0650 25 H7 2.0542 4.8733 -1.3450 H 1 noname 0.0626 26 H8 1.2997 0.9568 -2.9397 H 1 noname 0.0626 27 H9 -3.5099 0.5386 3.2495 H 1 noname 0.2181 28 H10 2.8167 5.6357 -3.5783 H 1 noname 0.0622 29 H11 2.0622 1.7192 -5.1730 H 1 noname 0.0622 30 H12 2.8207 4.0587 -5.4923 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 1 7 5 8 1 8 5 9 1 9 6 10 2 10 7 11 1 11 7 8 1 12 9 12 2 13 10 12 1 14 11 13 2 15 11 14 1 16 12 15 1 17 13 16 1 18 14 17 2 19 16 18 2 20 17 18 1 21 4 19 1 22 4 20 1 23 6 21 1 24 7 22 1 25 9 23 1 26 10 24 1 27 13 25 1 28 14 26 1 29 15 27 1 30 16 28 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1