@MOLECULE 92284582 31 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.5662 -0.2105 -0.8462 O.3 1 noname -0.3706 2 O2 -1.8740 0.8954 -0.6582 O.3 1 noname -0.1967 3 O3 -0.2046 1.1184 -2.1535 O.2 1 noname -0.2443 4 C1 3.8110 -1.0745 -0.7056 C.3 1 noname -0.0209 5 C2 4.7586 -1.8862 0.1800 C.3 1 noname -0.0514 6 C3 2.4456 -0.9638 -0.0243 C.3 1 noname 0.0500 7 C4 4.3885 0.3258 -0.9211 C.3 1 noname -0.0603 8 C5 4.1811 -3.2865 0.3955 C.3 1 noname -0.0650 9 C6 0.2989 -0.1077 -0.2139 C.3 1 noname 0.1325 10 C7 -0.6053 0.6669 -1.0589 C.2 1 noname 0.1547 11 C8 -2.5436 2.0806 -1.0622 C.3 1 noname 0.0744 12 C9 -3.8644 2.0924 -0.5142 C.2 1 noname -0.0778 13 C10 -4.2377 3.0752 0.3004 C.2 1 noname -0.0885 14 H1 3.6974 -1.5728 -1.6684 H 1 noname 0.0323 15 H2 4.8722 -1.3879 1.1428 H 1 noname 0.0267 16 H3 5.7313 -1.9651 -0.3054 H 1 noname 0.0267 17 H4 2.0342 -1.9614 0.1293 H 1 noname 0.0569 18 H5 2.5593 -0.4655 0.9385 H 1 noname 0.0569 19 H6 3.7135 0.9041 -1.5520 H 1 noname 0.0234 20 H7 4.5022 0.8241 0.0417 H 1 noname 0.0234 21 H8 5.3613 0.2470 -1.4065 H 1 noname 0.0234 22 H9 4.8561 -3.8648 1.0264 H 1 noname 0.0230 23 H10 3.2083 -3.2076 0.8809 H 1 noname 0.0230 24 H11 4.0674 -3.7848 -0.5673 H 1 noname 0.0230 25 H12 -0.1125 -1.1053 -0.0603 H 1 noname 0.0676 26 H13 0.4126 0.3906 0.7489 H 1 noname 0.0676 27 H14 -2.6013 2.1124 -2.1502 H 1 noname 0.0618 28 H15 -1.9931 2.9497 -0.7020 H 1 noname 0.0618 29 H16 -4.5009 1.3689 -0.7412 H 1 noname 0.0594 30 H17 -5.1521 3.0833 0.6798 H 1 noname 0.0535 31 H18 -3.6012 3.7987 0.5274 H 1 noname 0.0535 @BOND 1 1 6 1 2 1 9 1 3 2 10 1 4 2 11 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 14 1 10 5 8 1 11 5 15 1 12 5 16 1 13 6 17 1 14 6 18 1 15 7 19 1 16 7 20 1 17 7 21 1 18 8 22 1 19 8 23 1 20 8 24 1 21 9 10 1 22 9 25 1 23 9 26 1 24 11 12 1 25 11 27 1 26 11 28 1 27 12 13 2 28 12 29 1 29 13 30 1 30 13 31 1 @SUBSTRUCTURE 1 noname 1