@MOLECULE DB03467 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.7254 -1.1272 -0.8933 O.2 1 noname -0.2911 2 C1 1.2828 -0.1079 -0.3208 C.2 1 noname 0.1149 3 C2 -0.0538 -0.0498 0.3126 C.2 1 noname 0.0183 4 C3 2.0916 1.2329 -0.2049 C.3 1 noname 0.0421 5 C4 -0.8124 1.1169 0.0516 C.2 1 noname 0.0533 6 C5 -0.4104 -0.8906 1.3604 C.2 1 noname 0.0519 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 -0.2588 9 C7 -2.0713 1.2691 0.6207 C.2 1 noname -0.0052 10 O3 0.3130 -2.0030 1.6093 O.3 1 noname -0.2756 11 C8 -1.5117 -0.5862 2.1519 C.2 1 noname -0.0063 12 C9 1.6308 2.8689 -2.0073 C.2 1 noname -0.0542 13 C10 -2.4220 0.4159 1.6972 C.2 1 noname 0.0315 14 C11 2.0559 4.1801 -2.1863 C.2 1 noname -0.0396 15 C12 1.6330 1.9850 -3.0800 C.2 1 noname -0.0396 16 O4 -3.6241 0.5515 2.2964 O.3 1 noname -0.2811 17 C13 2.4833 4.6075 -3.4380 C.2 1 noname -0.0289 18 C14 2.0604 2.4123 -4.3318 C.2 1 noname -0.0289 19 C15 2.4856 3.7236 -4.5107 C.2 1 noname -0.0012 20 O5 2.9007 4.1386 -5.7265 O.3 1 noname -0.2861 21 H1 2.2843 1.3955 0.8556 H 1 noname 0.0381 22 H2 2.9237 1.1621 -0.9054 H 1 noname 0.0381 23 H3 1.2551 3.2453 0.0158 H 1 noname 0.0665 24 H4 -2.7557 2.0265 0.2385 H 1 noname 0.0677 25 H5 0.3934 -2.1268 2.5579 H 1 noname 0.2182 26 H6 -1.6562 -1.1139 3.0946 H 1 noname 0.0677 27 H7 2.0542 4.8733 -1.3450 H 1 noname 0.0627 28 H8 1.2997 0.9568 -2.9397 H 1 noname 0.0627 29 H9 -3.5099 0.5386 3.2495 H 1 noname 0.2181 30 H10 2.8167 5.6357 -3.5783 H 1 noname 0.0650 31 H11 2.0622 1.7192 -5.1730 H 1 noname 0.0650 32 H12 3.0890 3.3757 -6.2779 H 1 noname 0.2181 @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 1 10 6 11 2 11 7 12 1 12 7 8 1 13 9 13 2 14 11 13 1 15 12 14 2 16 12 15 1 17 13 16 1 18 14 17 1 19 15 18 2 20 17 19 2 21 18 19 1 22 19 20 1 23 4 21 1 24 4 22 1 25 7 23 1 26 9 24 1 27 10 25 1 28 11 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 17 30 1 33 18 31 1 34 20 32 1 @SUBSTRUCTURE 1 noname 1