@MOLECULE DB07262 29 29 1 SMALL USER_CHARGES @ATOM 1 S1 -0.6840 -2.5496 -0.9056 S.3 1 noname -0.0758 2 C1 -0.7096 -4.2402 -1.0821 C.2 1 noname -0.0200 3 C2 0.3123 -2.1110 0.5279 C.3 1 noname 0.0256 4 N1 -1.3616 -4.7713 -2.0405 N.2 1 noname -0.2546 5 N2 -0.0594 -4.9973 -0.2335 N.3 1 noname 0.0071 6 C3 0.3343 -0.6591 0.6795 C.2 1 noname -0.0407 7 C4 -0.8470 -5.3093 0.7657 C.2 1 noname -0.1133 8 C5 1.3236 0.0902 0.0535 C.2 1 noname -0.0196 9 C6 -0.6342 -0.0260 1.4499 C.2 1 noname -0.0516 10 N3 -0.4142 -6.0450 1.7129 N.2 1 noname -0.2690 11 N4 -2.0792 -4.8654 0.7917 N.3 1 noname -0.1300 12 C7 1.3445 1.4726 0.1979 C.2 1 noname -0.0080 13 C8 -0.6133 1.3563 1.5942 C.2 1 noname -0.0501 14 C9 0.3760 2.1056 0.9682 C.2 1 noname -0.0267 15 C10 2.3837 2.2596 -0.4597 C.3 1 noname 0.4161 16 F1 3.4610 2.3855 0.3789 F 1 noname -0.1661 17 F2 2.7735 1.6291 -1.6130 F 1 noname -0.1661 18 F3 1.8923 3.5032 -0.7624 F 1 noname -0.1661 19 H1 -0.1761 -2.4469 1.4426 H 1 noname 0.0434 20 H2 1.3591 -2.3557 0.3476 H 1 noname 0.0434 21 H3 -1.3106 -5.7772 -1.9656 H 1 noname 0.1893 22 H4 0.9007 -5.2945 -0.3341 H 1 noname 0.1387 23 H5 2.0830 -0.4062 -0.5506 H 1 noname 0.0631 24 H6 -1.4100 -0.6136 1.9408 H 1 noname 0.0625 25 H7 -0.5283 -7.0169 1.4632 H 1 noname 0.1898 26 H8 -2.2578 -3.8713 0.8018 H 1 noname 0.1267 27 H9 -2.8507 -5.5172 0.8018 H 1 noname 0.1267 28 H10 -1.3727 1.8527 2.1983 H 1 noname 0.0622 29 H11 0.3924 3.1896 1.0814 H 1 noname 0.0628 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 5 7 1 7 6 8 2 8 6 9 1 9 7 10 2 10 7 11 1 11 8 12 1 12 9 13 2 13 12 14 2 14 12 15 1 15 13 14 1 16 15 16 1 17 15 17 1 18 15 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 5 22 1 23 8 23 1 24 9 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 13 28 1 29 14 29 1 @SUBSTRUCTURE 1 noname 1