@MOLECULE 236558 49 53 1 SMALL USER_CHARGES @ATOM 1 F1 1.0563 -5.7007 5.5283 F 1 noname -0.1661 2 C1 1.3174 -5.2792 4.2466 C.3 1 noname 0.4161 3 F2 2.4170 -5.9400 3.7632 F 1 noname -0.1661 4 F3 0.1770 -5.5121 3.5220 F 1 noname -0.1661 5 C2 1.5994 -3.8364 4.3066 C.2 1 noname -0.0002 6 C3 0.5771 -2.8277 4.1365 C.2 1 noname 0.0069 7 C4 2.9259 -3.4468 4.6644 C.2 1 noname -0.0209 8 C5 0.7853 -1.4210 4.3963 C.2 1 noname -0.0069 9 C6 3.2491 -2.1077 4.9545 C.2 1 noname -0.0423 10 N1 -0.2135 -0.3095 4.2816 N.3 1 noname -0.0962 11 C7 2.1600 -1.2104 4.8314 C.2 1 noname -0.0247 12 C8 0.3004 1.0198 4.3978 C.2 1 noname 0.0956 13 C9 -1.6404 -0.4047 4.0594 C.2 1 noname 0.0838 14 O1 1.5266 1.2681 4.5602 O.2 1 noname -0.2614 15 N2 -0.4142 2.1993 4.3268 N.3 1 noname 0.0994 16 C10 -2.5357 -1.5748 3.9054 C.2 1 noname 0.0626 17 C11 -2.3719 0.8619 3.9625 C.2 1 noname 0.0650 18 C12 -1.7573 2.1361 4.0990 C.2 1 noname 0.0763 19 C13 0.1912 3.5404 4.4769 C.3 1 noname 0.0038 20 N3 -2.2626 -2.9316 3.9392 N.2 1 noname -0.2172 21 C14 -3.9540 -1.3563 3.6899 C.2 1 noname 0.0391 22 C15 -3.7696 0.9507 3.7265 C.2 1 noname 0.0549 23 O2 -2.4346 3.2091 4.0171 O.2 1 noname -0.2832 24 C16 -3.1675 -3.9850 3.7949 C.2 1 noname 0.0258 25 N4 -4.5141 -0.1393 3.6026 N.2 1 noname -0.2227 26 C17 -4.9324 -2.3579 3.5334 C.2 1 noname 0.0086 27 C18 -2.7532 -5.3526 3.8766 C.2 1 noname -0.0327 28 C19 -4.5384 -3.6960 3.5858 C.2 1 noname -0.0026 29 C20 -1.9128 -5.6917 4.9696 C.2 1 noname 0.0177 30 C21 -3.1330 -6.3854 2.9512 C.2 1 noname -0.0196 31 N5 -1.4090 -6.9563 5.0206 N.2 1 noname -0.2621 32 C22 -2.5983 -7.6946 2.9947 C.2 1 noname -0.0298 33 C23 -1.6803 -7.9013 4.0609 C.2 1 noname 0.0300 34 N6 -1.0303 -9.0740 4.1242 N.3 1 noname -0.1185 35 H1 -0.4071 -3.1459 3.7927 H 1 noname 0.0645 36 H2 3.7166 -4.1951 4.7178 H 1 noname 0.0628 37 H3 4.2511 -1.7944 5.2475 H 1 noname 0.0623 38 H4 2.4225 -0.1921 5.1183 H 1 noname 0.0639 39 H5 0.2970 3.7748 5.5361 H 1 noname 0.0405 40 H6 1.1725 3.5512 4.0026 H 1 noname 0.0405 41 H7 -0.4498 4.2835 4.0026 H 1 noname 0.0405 42 H8 -4.2960 1.9008 3.6361 H 1 noname 0.0848 43 H9 -5.9796 -2.1011 3.3741 H 1 noname 0.0646 44 H10 -5.2769 -4.4889 3.4673 H 1 noname 0.0646 45 H11 -1.6569 -4.9880 5.7617 H 1 noname 0.0847 46 H12 -3.8655 -6.1639 2.1750 H 1 noname 0.0631 47 H13 -2.8676 -8.4690 2.2764 H 1 noname 0.0656 48 H14 -1.5507 -9.9392 4.1480 H 1 noname 0.1257 49 H15 -0.0207 -9.0911 4.1480 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 15 19 1 20 16 20 2 21 16 21 1 22 17 22 1 23 17 18 1 24 18 23 2 25 20 24 1 26 21 25 1 27 21 26 2 28 22 25 2 29 24 27 1 30 24 28 2 31 26 28 1 32 27 29 2 33 27 30 1 34 29 31 1 35 30 32 2 36 31 33 2 37 32 33 1 38 33 34 1 39 6 35 1 40 7 36 1 41 9 37 1 42 11 38 1 43 19 39 1 44 19 40 1 45 19 41 1 46 22 42 1 47 26 43 1 48 28 44 1 49 29 45 1 50 30 46 1 51 32 47 1 52 34 48 1 53 34 49 1 @SUBSTRUCTURE 1 noname 1