@MOLECULE 71587096 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 -3.7457 1.0911 0.1726 O.3 1 noname -0.2098 2 O2 -2.6595 3.0545 0.3671 O.2 1 noname -0.2610 3 C1 3.2858 1.3641 -0.0721 C.3 1 noname -0.0166 4 C2 5.8228 0.2980 0.1392 C.3 1 noname -0.0379 5 C3 4.0656 1.6015 1.1028 C.2 1 noname -0.0860 6 C4 5.2881 1.0878 1.2046 C.2 1 noname -0.0871 7 C5 2.0193 2.0155 0.0567 C.2 1 noname -0.0745 8 C6 6.1472 -1.1047 0.6572 C.3 1 noname -0.0619 9 C7 0.8974 1.3025 0.0148 C.2 1 noname -0.0621 10 C8 -4.8910 1.5266 0.8903 C.3 1 noname 0.0539 11 C9 -0.2805 1.9084 0.1346 C.2 1 noname -0.0237 12 C10 -1.4024 1.1953 0.0927 C.2 1 noname 0.0555 13 C11 -6.0357 0.5346 0.6747 C.3 1 noname -0.0409 14 C12 -2.6069 1.8149 0.2151 C.2 1 noname 0.0945 15 H1 3.1320 0.2921 -0.1956 H 1 noname 0.0353 16 H2 3.8104 1.7585 -0.9422 H 1 noname 0.0353 17 H3 5.0897 0.2279 -0.6644 H 1 noname 0.0307 18 H4 6.7323 0.7652 -0.2384 H 1 noname 0.0307 19 H5 3.6954 2.1483 1.8405 H 1 noname 0.0575 20 H6 5.8280 1.2522 2.0180 H 1 noname 0.0572 21 H7 1.9776 2.9973 0.1770 H 1 noname 0.0579 22 H8 6.5547 -1.7067 -0.1549 H 1 noname 0.0233 23 H9 5.2376 -1.5719 1.0348 H 1 noname 0.0233 24 H10 6.8802 -1.0346 1.4608 H 1 noname 0.0233 25 H11 0.9391 0.3207 -0.1055 H 1 noname 0.0619 26 H12 -5.1913 2.5113 0.5323 H 1 noname 0.0570 27 H13 -4.6542 1.5828 1.9528 H 1 noname 0.0570 28 H14 -0.3222 2.8901 0.2549 H 1 noname 0.0624 29 H15 -6.9148 0.8688 1.2256 H 1 noname 0.0254 30 H16 -6.2724 0.4783 -0.3878 H 1 noname 0.0254 31 H17 -5.7353 -0.4502 1.0326 H 1 noname 0.0254 32 H18 -1.3608 0.2135 -0.0277 H 1 noname 0.0686 @BOND 1 1 10 1 2 1 14 1 3 2 14 2 4 3 5 1 5 3 7 1 6 3 15 1 7 3 16 1 8 4 6 1 9 4 8 1 10 4 17 1 11 4 18 1 12 5 6 2 13 5 19 1 14 6 20 1 15 7 9 2 16 7 21 1 17 8 22 1 18 8 23 1 19 8 24 1 20 9 11 1 21 9 25 1 22 10 13 1 23 10 26 1 24 10 27 1 25 11 12 2 26 11 28 1 27 12 14 1 28 12 32 1 29 13 29 1 30 13 30 1 31 13 31 1 @SUBSTRUCTURE 1 noname 1