@MOLECULE DB03285 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3299 -1.4658 -1.6524 O.2 1 noname -0.2979 2 C1 -0.9352 -0.9629 -0.5782 C.2 1 noname 0.0702 3 C2 0.1869 -0.1427 -0.5658 C.2 1 noname -0.0057 4 C3 -1.6038 -1.2182 0.5782 C.2 1 noname 0.0291 5 C4 0.9921 -0.0837 0.5658 C.2 1 noname 0.0440 6 C5 0.5039 0.6184 -1.6848 C.2 1 noname -0.0033 7 C6 -2.6775 -2.0030 0.5663 C.2 1 noname -0.0253 8 O2 0.6842 -0.8229 1.6526 O.3 1 noname -0.2769 9 C7 2.1142 0.7365 0.5782 C.2 1 noname 0.0062 10 C8 1.6261 1.4386 -1.6723 C.2 1 noname -0.0327 11 C9 -3.3460 -2.2584 1.7228 C.2 1 noname -0.0566 12 C10 2.4313 1.4976 -0.5408 C.2 1 noname 0.0222 13 C11 -4.4682 -3.0785 1.7103 C.2 1 noname -0.0402 14 C12 -2.9071 -1.6992 2.9173 C.2 1 noname -0.0402 15 O3 3.5211 2.2942 -0.5287 O.3 1 noname -0.2825 16 C13 -5.1515 -3.3395 2.8923 C.2 1 noname -0.0294 17 C14 -3.5904 -1.9601 4.0993 C.2 1 noname -0.0294 18 C15 -4.7126 -2.7803 4.0868 C.2 1 noname -0.0009 19 O4 -5.3762 -3.0338 5.2348 O.3 1 noname -0.2863 20 H1 -1.2755 -0.7893 1.5250 H 1 noname 0.0663 21 H2 -0.1274 0.5721 -2.5721 H 1 noname 0.0632 22 H3 -3.0058 -2.4320 -0.3804 H 1 noname 0.0630 23 H4 0.7463 -1.7555 1.4334 H 1 noname 0.2182 24 H5 2.7456 0.7828 1.4656 H 1 noname 0.0677 25 H6 1.8747 2.0355 -2.5499 H 1 noname 0.0650 26 H7 -4.8123 -3.5171 0.7736 H 1 noname 0.0629 27 H8 -2.0272 -1.0560 2.9271 H 1 noname 0.0629 28 H9 3.7729 2.4782 0.3793 H 1 noname 0.2181 29 H10 -6.0314 -3.9827 2.8825 H 1 noname 0.0650 30 H11 -3.2463 -1.5216 5.0359 H 1 noname 0.0650 31 H12 -5.4485 -3.9829 5.3598 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 2 7 5 8 1 8 5 9 1 9 6 10 2 10 7 11 1 11 9 12 2 12 10 12 1 13 11 13 2 14 11 14 1 15 12 15 1 16 13 16 1 17 14 17 2 18 16 18 2 19 17 18 1 20 18 19 1 21 4 20 1 22 6 21 1 23 7 22 1 24 8 23 1 25 9 24 1 26 10 25 1 27 13 26 1 28 14 27 1 29 15 28 1 30 16 29 1 31 17 30 1 32 19 31 1 @SUBSTRUCTURE 1 noname 1