@MOLECULE 76962661 47 47 1 SMALL USER_CHARGES @ATOM 1 F1 4.1890 3.0842 0.5682 F 1 noname -0.1661 2 F2 5.0749 2.0715 -1.2212 F 1 noname -0.1661 3 F3 5.3664 1.1965 0.8188 F 1 noname -0.1661 4 O1 -2.4213 -1.4681 -1.5290 O.3 1 noname -0.1981 5 N1 -5.2367 -0.2844 -3.5928 N.3 1 noname -0.3130 6 N2 -1.2638 -0.9537 -1.2470 N.2 1 noname -0.2031 7 N3 -8.6150 -0.4929 -5.1474 N.3 1 noname -0.3292 8 C1 0.3022 -3.5988 1.0253 C.3 1 noname -0.0479 9 C2 -0.5575 -2.7111 0.0972 C.3 1 noname -0.0075 10 C3 -0.4681 -4.8759 1.3666 C.3 1 noname -0.0558 11 C4 -0.2900 -1.3885 -0.5188 C.2 1 noname 0.0452 12 C5 0.8793 -0.5666 -0.4050 C.2 1 noname -0.0275 13 C6 0.3830 -5.7548 2.2854 C.3 1 noname -0.0654 14 C7 -4.5008 -1.1925 -2.7146 C.3 1 noname 0.0215 15 C8 2.0183 -0.9389 0.3697 C.2 1 noname -0.0225 16 C9 0.9883 0.7024 -1.0692 C.2 1 noname -0.0225 17 C10 -3.1361 -0.5860 -2.3820 C.3 1 noname 0.0896 18 C11 -6.5408 -0.8638 -3.9106 C.3 1 noname 0.0076 19 C12 3.2469 1.0722 -0.1602 C.2 1 noname 0.0013 20 C13 3.1775 -0.1708 0.5089 C.2 1 noname -0.0182 21 C14 2.1500 1.5081 -0.9500 C.2 1 noname -0.0182 22 C15 -7.3109 0.0865 -4.8296 C.3 1 noname 0.0049 23 C16 4.4944 1.8722 0.0047 C.3 1 noname 0.4161 24 H1 -1.6006 -2.7621 0.4096 H 1 noname 0.0333 25 H2 -0.6764 -3.3392 -0.7856 H 1 noname 0.0333 26 H3 0.5276 -3.0544 1.9423 H 1 noname 0.0270 27 H4 1.2320 -3.8595 0.5196 H 1 noname 0.0270 28 H5 -1.3979 -4.6152 1.8723 H 1 noname 0.0264 29 H6 -0.6935 -5.4203 0.4496 H 1 noname 0.0264 30 H7 -0.1658 -6.6646 2.5285 H 1 noname 0.0230 31 H8 0.6084 -5.2104 3.2024 H 1 noname 0.0230 32 H9 1.3128 -6.0155 1.7797 H 1 noname 0.0230 33 H10 -5.0648 -1.3444 -1.7943 H 1 noname 0.0452 34 H11 -4.3605 -2.1495 -3.2169 H 1 noname 0.0452 35 H12 2.0770 -1.7992 0.8856 H 1 noname 0.0629 36 H13 0.2123 1.0786 -1.6663 H 1 noname 0.0629 37 H14 -3.2764 0.3710 -1.8796 H 1 noname 0.0608 38 H15 -2.5720 -0.4341 -3.3023 H 1 noname 0.0608 39 H16 -7.1048 -1.0158 -2.9903 H 1 noname 0.0441 40 H17 -6.4004 -1.8209 -4.4129 H 1 noname 0.0441 41 H18 -5.3683 0.6130 -3.1218 H 1 noname 0.1223 42 H19 3.9384 -0.5367 1.0927 H 1 noname 0.0629 43 H20 2.1718 2.4145 -1.4522 H 1 noname 0.0629 44 H21 -7.4512 1.0436 -4.3273 H 1 noname 0.0438 45 H22 -6.7469 0.2385 -5.7499 H 1 noname 0.0438 46 H23 -9.1294 0.1419 -5.7613 H 1 noname 0.1184 47 H24 -9.1438 -0.6354 -4.2845 H 1 noname 0.1184 @BOND 1 1 23 1 2 2 23 1 3 3 23 1 4 4 6 1 5 4 17 1 6 5 14 1 7 5 18 1 8 5 41 1 9 6 11 2 10 7 22 1 11 7 46 1 12 7 47 1 13 8 9 1 14 8 10 1 15 8 26 1 16 8 27 1 17 9 11 1 18 9 24 1 19 9 25 1 20 10 13 1 21 10 28 1 22 10 29 1 23 11 12 1 24 12 15 2 25 12 16 1 26 13 30 1 27 13 31 1 28 13 32 1 29 14 17 1 30 14 33 1 31 14 34 1 32 15 20 1 33 15 35 1 34 16 21 2 35 16 36 1 36 17 37 1 37 17 38 1 38 18 22 1 39 18 39 1 40 18 40 1 41 19 20 2 42 19 21 1 43 19 23 1 44 20 42 1 45 21 43 1 46 22 44 1 47 22 45 1 @SUBSTRUCTURE 1 noname 1