@MOLECULE DB07036 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 1.7653 -1.0989 4.9475 F 1 noname -0.2067 2 C1 1.4923 -1.0529 3.6048 C.3 1 noname 0.2488 3 F2 2.4395 -1.7401 2.8906 F 1 noname -0.2067 4 C2 1.4819 0.4159 3.1321 C.3 1 noname 0.0184 5 C3 0.0817 -1.5696 3.3556 C.3 1 noname 0.0173 6 C4 0.0262 0.7834 2.7097 C.3 1 noname 0.0338 7 C5 -0.5653 -0.6030 2.3245 C.3 1 noname 0.0027 8 C6 -0.8079 1.5691 3.6932 C.2 1 noname -0.0113 9 C7 -2.1308 -0.5826 2.2248 C.3 1 noname 0.0929 10 C8 -2.1864 1.2002 3.8992 C.2 1 noname -0.0039 11 C9 -0.2587 2.7026 4.3692 C.2 1 noname -0.0231 12 O1 -2.8157 0.1505 3.2573 O.3 1 noname -0.2683 13 C10 -2.8279 -1.9705 2.1237 C.2 1 noname -0.0542 14 C11 -3.0104 1.9407 4.8123 C.2 1 noname -0.0040 15 C12 -1.0777 3.4320 5.2755 C.2 1 noname -0.0105 16 C13 -3.6091 -2.2768 1.0156 C.2 1 noname -0.0397 17 C14 -2.6691 -2.9037 3.1415 C.2 1 noname -0.0397 18 C15 -2.4385 3.0499 5.4937 C.2 1 noname -0.0175 19 C16 -4.4030 1.5636 5.0359 C.3 1 noname 0.0740 20 O2 -0.5662 4.4933 5.9348 O.3 1 noname -0.2876 21 C17 -4.2316 -3.5163 0.9253 C.2 1 noname -0.0289 22 C18 -3.2917 -4.1432 3.0513 C.2 1 noname -0.0289 23 O3 -4.4593 0.2364 5.5380 O.3 1 noname -0.3797 24 C19 -4.0729 -4.4495 1.9432 C.2 1 noname -0.0012 25 C20 -5.8137 -0.1303 5.7555 C.3 1 noname 0.0360 26 O4 -4.6775 -5.6534 1.8555 O.3 1 noname -0.2861 27 H1 1.7307 1.0286 3.9986 H 1 noname 0.0334 28 H2 2.0997 0.4637 2.2353 H 1 noname 0.0334 29 H3 0.1775 -2.5461 2.8810 H 1 noname 0.0332 30 H4 -0.4659 -1.4705 4.2929 H 1 noname 0.0332 31 H5 0.0030 1.5334 1.9191 H 1 noname 0.0359 32 H6 -0.3155 -0.9394 1.3183 H 1 noname 0.0341 33 H7 -2.2914 0.0080 1.3228 H 1 noname 0.0663 34 H8 0.7733 3.0075 4.1956 H 1 noname 0.0653 35 H9 -3.7336 -1.5450 0.2174 H 1 noname 0.0627 36 H10 -2.0565 -2.6635 4.0105 H 1 noname 0.0627 37 H11 -3.0527 3.6160 6.1941 H 1 noname 0.0654 38 H12 -4.7890 2.2064 5.8270 H 1 noname 0.0618 39 H13 -4.8929 1.5433 4.0624 H 1 noname 0.0618 40 H14 -0.6369 4.3467 6.8809 H 1 noname 0.2181 41 H15 -4.8443 -3.7565 0.0564 H 1 noname 0.0650 42 H16 -3.1672 -4.8750 3.8494 H 1 noname 0.0650 43 H17 -6.0083 -0.1830 6.8267 H 1 noname 0.0529 44 H18 -6.4689 0.6143 5.3034 H 1 noname 0.0529 45 H19 -6.0036 -1.1038 5.3034 H 1 noname 0.0529 46 H20 -4.8472 -5.9913 2.7379 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 6 4 1 6 7 5 1 7 6 8 1 8 6 7 1 9 7 9 1 10 8 10 2 11 8 11 1 12 9 12 1 13 9 13 1 14 10 14 1 15 10 12 1 16 11 15 2 17 13 16 2 18 13 17 1 19 14 18 2 20 14 19 1 21 15 20 1 22 15 18 1 23 16 21 1 24 17 22 2 25 19 23 1 26 21 24 2 27 22 24 1 28 23 25 1 29 24 26 1 30 4 27 1 31 4 28 1 32 5 29 1 33 5 30 1 34 6 31 1 35 7 32 1 36 9 33 1 37 11 34 1 38 16 35 1 39 17 36 1 40 18 37 1 41 19 38 1 42 19 39 1 43 20 40 1 44 21 41 1 45 22 42 1 46 25 43 1 47 25 44 1 48 25 45 1 49 26 46 1 @SUBSTRUCTURE 1 noname 1