@MOLECULE 119057596 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 1.6698 1.7001 1.6412 O.2 1 noname -0.2982 2 C1 0.9872 -1.3785 -0.2610 C.3 1 noname -0.0259 3 C2 -0.5739 -1.3855 -0.1734 C.3 1 noname -0.0468 4 C3 1.6150 0.0646 -0.2335 C.3 1 noname 0.0117 5 C4 -1.0584 -0.5506 1.0402 C.3 1 noname -0.0432 6 C5 -0.5751 0.9191 0.9373 C.3 1 noname 0.0148 7 C6 1.4298 -2.1031 -1.5337 C.3 1 noname -0.0503 8 C7 0.9858 0.9845 0.8779 C.2 1 noname 0.1349 9 C8 1.4911 -2.0903 0.9961 C.3 1 noname -0.0592 10 C9 -1.0727 1.7057 2.1516 C.3 1 noname -0.0556 11 C10 0.8473 -1.3899 -2.7555 C.3 1 noname -0.0648 12 H1 -0.9911 -0.9694 -1.0904 H 1 noname 0.0272 13 H2 -0.9201 -2.4161 -0.0963 H 1 noname 0.0272 14 H3 1.4883 0.5346 -1.2088 H 1 noname 0.0352 15 H4 2.6990 0.0303 -0.1246 H 1 noname 0.0352 16 H5 -2.1473 -0.5728 1.0850 H 1 noname 0.0274 17 H6 -0.6626 -0.9746 1.9630 H 1 noname 0.0274 18 H7 -0.9532 1.3204 -0.0029 H 1 noname 0.0379 19 H8 1.0719 -3.1324 -1.5090 H 1 noname 0.0269 20 H9 2.5181 -2.0983 -1.5948 H 1 noname 0.0269 21 H10 2.5808 -2.1146 0.9876 H 1 noname 0.0236 22 H11 1.1051 -3.1094 1.0161 H 1 noname 0.0236 23 H12 1.1466 -1.5538 1.8802 H 1 noname 0.0236 24 H13 -0.7329 2.7389 2.0793 H 1 noname 0.0237 25 H14 -2.1621 1.6825 2.1780 H 1 noname 0.0237 26 H15 -0.6775 1.2562 3.0626 H 1 noname 0.0237 27 H16 1.1627 -1.9061 -3.6622 H 1 noname 0.0230 28 H17 -0.2410 -1.3947 -2.6945 H 1 noname 0.0230 29 H18 1.2052 -0.3606 -2.7803 H 1 noname 0.0230 @BOND 1 1 8 2 2 2 3 1 3 2 4 1 4 2 7 1 5 2 9 1 6 3 5 1 7 3 12 1 8 3 13 1 9 4 8 1 10 4 14 1 11 4 15 1 12 5 6 1 13 5 16 1 14 5 17 1 15 6 8 1 16 6 10 1 17 6 18 1 18 7 11 1 19 7 19 1 20 7 20 1 21 9 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 @SUBSTRUCTURE 1 noname 1