@MOLECULE 71586812 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.9180 -0.8172 -0.3957 O.3 1 noname -0.2044 2 O2 -7.3381 0.2220 -3.4431 O.3 1 noname -0.2829 3 O3 -2.8555 -2.8650 -0.3919 O.2 1 noname -0.2584 4 C1 0.1554 -0.2047 0.5294 C.2 1 noname -0.0434 5 C2 -0.7824 -1.3011 0.3063 C.3 1 noname 0.0818 6 C3 -4.0354 -1.1855 -1.4016 C.2 1 noname -0.0163 7 C4 1.1424 0.0679 -0.4106 C.2 1 noname -0.0497 8 C5 0.0614 0.5666 1.6820 C.2 1 noname -0.0497 9 C6 -2.9238 -1.6593 -0.7146 C.2 1 noname 0.0852 10 C7 -5.0710 -2.0526 -1.7300 C.2 1 noname 0.0049 11 C8 -4.1114 0.1552 -1.7604 C.2 1 noname 0.0049 12 C9 2.0353 1.1118 -0.1982 C.2 1 noname -0.0585 13 C10 0.9543 1.6105 1.8945 C.2 1 noname -0.0585 14 C11 -6.1826 -1.5788 -2.4171 C.2 1 noname -0.0138 15 C12 -5.2229 0.6289 -2.4475 C.2 1 noname -0.0138 16 C13 -6.2586 -0.2381 -2.7758 C.2 1 noname 0.0226 17 C14 1.9413 1.8830 0.9544 C.2 1 noname -0.0611 18 H1 -1.0963 -1.7118 1.2659 H 1 noname 0.0624 19 H2 -0.2971 -2.0805 -0.2812 H 1 noname 0.0624 20 H3 1.2114 -0.4981 -1.2564 H 1 noname 0.0626 21 H4 -0.6628 0.3666 2.3718 H 1 noname 0.0626 22 H5 -5.0153 -3.0364 -1.4667 H 1 noname 0.0632 23 H6 -3.3514 0.7915 -1.5195 H 1 noname 0.0632 24 H7 2.7595 1.3118 -0.8880 H 1 noname 0.0622 25 H8 0.8853 2.1764 2.7402 H 1 noname 0.0622 26 H9 -6.9426 -2.2151 -2.6580 H 1 noname 0.0650 27 H10 -5.2787 1.6128 -2.7107 H 1 noname 0.0650 28 H11 2.5965 2.6490 1.1103 H 1 noname 0.0622 29 H12 -7.9677 -0.5140 -3.5929 H 1 noname 0.2181 @BOND 1 1 5 1 2 1 9 1 3 2 16 1 4 2 29 1 5 3 9 2 6 4 5 1 7 4 7 2 8 4 8 1 9 5 18 1 10 5 19 1 11 6 9 1 12 6 10 2 13 6 11 1 14 7 12 1 15 7 20 1 16 8 13 2 17 8 21 1 18 10 14 1 19 10 22 1 20 11 15 2 21 11 23 1 22 12 17 2 23 12 24 1 24 13 17 1 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 17 28 1 @SUBSTRUCTURE 1 noname 1