@MOLECULE 58059361 52 54 1 SMALL USER_CHARGES @ATOM 1 F1 0.3289 5.1610 -2.3434 F 1 noname -0.2491 2 O1 2.5091 -1.7910 -2.2356 O.2 1 noname -0.2928 3 O2 -0.9287 -2.8932 -0.9636 O.3 1 noname -0.2726 4 N1 -0.0247 1.7328 -1.1340 N.3 1 noname -0.0715 5 N2 4.3572 -1.3737 -0.9577 N.3 1 noname -0.0682 6 C1 1.8316 -1.2825 -0.1031 C.3 1 noname 0.0602 7 C2 0.7975 -0.3235 -0.6555 C.2 1 noname -0.0192 8 C3 1.0565 1.0602 -0.6569 C.2 1 noname -0.1032 9 C4 2.2702 -0.6941 1.2770 C.3 1 noname -0.0375 10 C5 2.3047 1.6006 -0.0469 C.3 1 noname 0.0158 11 C6 2.6681 0.8192 1.2578 C.3 1 noname -0.0469 12 C7 -0.4963 -0.4858 -1.1547 C.2 1 noname -0.0055 13 C8 -0.9535 0.7999 -1.4410 C.2 1 noname -0.0826 14 C9 2.9492 -1.4880 -1.0953 C.2 1 noname 0.0456 15 C10 -0.2110 3.1525 -1.2286 C.3 1 noname -0.0446 16 C11 -1.3357 -1.6358 -1.3470 C.2 1 noname 0.0220 17 C12 -2.2519 1.0045 -1.9300 C.2 1 noname -0.0513 18 C13 -2.6338 -1.4123 -1.9061 C.2 1 noname -0.0177 19 C14 0.5241 3.8045 -2.4068 C.3 1 noname 0.1055 20 C15 -3.0907 -0.0952 -2.1633 C.2 1 noname -0.0394 21 C16 5.1609 -1.0396 -2.1077 C.3 1 noname 0.0029 22 C17 5.1597 -1.4969 0.2461 C.3 1 noname 0.0029 23 C18 5.1788 0.4626 -2.4870 C.3 1 noname -0.0519 24 C19 4.9501 -2.7435 1.1370 C.3 1 noname -0.0519 25 C20 -0.2891 -3.5426 -2.0768 C.3 1 noname 0.0423 26 H1 1.3289 -2.2242 0.0888 H 1 noname 0.0448 27 H2 1.4771 -0.8520 2.0079 H 1 noname 0.0278 28 H3 3.1033 -1.2787 1.6672 H 1 noname 0.0278 29 H4 2.1669 2.6560 0.1881 H 1 noname 0.0329 30 H5 3.1201 1.4023 -0.7426 H 1 noname 0.0329 31 H6 2.2256 1.3222 2.1176 H 1 noname 0.0271 32 H7 3.7507 0.8982 1.3561 H 1 noname 0.0271 33 H8 -1.2758 3.3756 -1.2964 H 1 noname 0.0499 34 H9 0.2106 3.6328 -0.3456 H 1 noname 0.0499 35 H10 -2.5742 1.9596 -2.0731 H 1 noname 0.0642 36 H11 -3.2679 -2.1926 -2.1189 H 1 noname 0.0650 37 H12 0.1192 3.4225 -3.3439 H 1 noname 0.0640 38 H13 1.5896 3.5829 -2.3455 H 1 noname 0.0640 39 H14 -4.0408 0.0958 -2.4947 H 1 noname 0.0624 40 H15 5.0495 -0.5961 0.8500 H 1 noname 0.0432 41 H16 6.2020 -1.4494 -0.0692 H 1 noname 0.0432 42 H17 4.8309 -1.6268 -2.9646 H 1 noname 0.0432 43 H18 6.1979 -1.2612 -1.8554 H 1 noname 0.0432 44 H19 5.6191 -2.6929 1.9960 H 1 noname 0.0243 45 H20 3.9168 -2.7737 1.4825 H 1 noname 0.0243 46 H21 5.1668 -3.6428 0.5603 H 1 noname 0.0243 47 H22 5.8105 0.6086 -3.3632 H 1 noname 0.0243 48 H23 4.1645 0.7929 -2.7113 H 1 noname 0.0243 49 H24 5.5740 1.0432 -1.6534 H 1 noname 0.0243 50 H25 0.0355 -4.5395 -1.7784 H 1 noname 0.0535 51 H26 -0.9937 -3.6226 -2.9046 H 1 noname 0.0535 52 H27 0.5755 -2.9578 -2.3908 H 1 noname 0.0535 @BOND 1 1 19 1 2 2 14 2 3 3 16 1 4 3 25 1 5 4 8 1 6 4 13 1 7 4 15 1 8 5 14 1 9 5 21 1 10 5 22 1 11 6 7 1 12 6 9 1 13 6 14 1 14 6 26 1 15 7 8 2 16 7 12 1 17 8 10 1 18 9 11 1 19 9 27 1 20 9 28 1 21 10 11 1 22 10 29 1 23 10 30 1 24 11 31 1 25 11 32 1 26 12 13 2 27 12 16 1 28 13 17 1 29 15 19 1 30 15 33 1 31 15 34 1 32 16 18 2 33 17 20 2 34 17 35 1 35 18 20 1 36 18 36 1 37 19 37 1 38 19 38 1 39 20 39 1 40 21 23 1 41 21 42 1 42 21 43 1 43 22 24 1 44 22 40 1 45 22 41 1 46 23 47 1 47 23 48 1 48 23 49 1 49 24 44 1 50 24 45 1 51 24 46 1 52 25 50 1 53 25 51 1 54 25 52 1 @SUBSTRUCTURE 1 noname 1