@MOLECULE 71492799 43 45 1 SMALL USER_CHARGES @ATOM 1 F1 -3.6783 -9.7981 -3.7494 F 1 noname -0.1661 2 F2 -4.0844 -10.3476 -1.6174 F 1 noname -0.1661 3 F3 -2.8412 -11.6943 -2.9032 F 1 noname -0.1661 4 F4 1.6794 -11.4224 -0.7759 F 1 noname -0.1661 5 F5 2.1009 -10.8775 -2.9061 F 1 noname -0.1661 6 F6 2.7735 -9.5278 -1.2513 F 1 noname -0.1661 7 O1 -3.5474 -5.6167 -2.5001 O.2 1 noname -0.2904 8 N1 -1.5959 -4.2351 -0.9060 N.3 1 noname 0.0089 9 N2 -1.8390 -5.4894 -0.7713 N.2 1 noname -0.2687 10 N3 0.2417 -5.2981 -1.3666 N.2 1 noname -0.1808 11 N4 -5.7015 -4.5881 -2.2077 N.3 1 noname -0.0371 12 N5 -6.2262 -5.6838 -2.7724 N.3 1 noname -0.0519 13 N6 -8.0303 -6.9540 -3.6554 N.2 1 noname -0.2591 14 C1 -0.8015 -7.5768 -1.4546 C.2 1 noname 0.0021 15 C2 -1.9547 -9.6734 -2.2135 C.2 1 noname 0.0137 16 C3 0.5167 -9.6684 -1.7338 C.2 1 noname 0.0137 17 C4 0.4406 -8.2900 -1.3964 C.2 1 noname 0.0188 18 C5 -2.0021 -8.2858 -1.8649 C.2 1 noname 0.0188 19 C6 -0.6814 -10.3385 -2.1423 C.2 1 noname 0.0272 20 C7 -0.7662 -6.1775 -1.1650 C.2 1 noname 0.0936 21 C8 -3.1580 -10.3892 -2.6272 C.3 1 noname 0.4161 22 C9 1.7870 -10.3850 -1.6657 C.3 1 noname 0.4161 23 C10 -0.2924 -4.0724 -1.1923 C.2 1 noname 0.0014 24 C11 -2.5561 -3.3067 -0.9245 C.2 1 noname -0.0360 25 C12 -3.7901 -3.4643 -1.4345 C.2 1 noname 0.0459 26 C13 -4.2614 -4.6729 -2.0975 C.2 1 noname 0.0398 27 C14 -7.5434 -5.7704 -3.1300 C.2 1 noname 0.0300 28 C15 -8.4191 -4.6407 -2.9832 C.2 1 noname -0.0277 29 C16 -9.7588 -4.8219 -3.3976 C.2 1 noname -0.0438 30 C17 -10.2443 -6.0453 -3.9352 C.2 1 noname -0.0560 31 C18 -9.3386 -7.1309 -4.0593 C.2 1 noname -0.0063 32 H1 1.2863 -7.7986 -1.1070 H 1 noname 0.0636 33 H2 -2.8913 -7.7876 -1.9050 H 1 noname 0.0636 34 H3 -0.6297 -11.3260 -2.3926 H 1 noname 0.0634 35 H4 0.2025 -3.1834 -1.2645 H 1 noname 0.1035 36 H5 -2.3403 -2.4256 -0.5280 H 1 noname 0.0815 37 H6 -4.4222 -2.7066 -1.3540 H 1 noname 0.0689 38 H7 -6.2249 -3.8283 -1.9082 H 1 noname 0.1512 39 H8 -5.9671 -6.5068 -2.2246 H 1 noname 0.1495 40 H9 -8.0914 -3.7541 -2.5999 H 1 noname 0.0656 41 H10 -10.4065 -4.0392 -3.3067 H 1 noname 0.0624 42 H11 -11.2179 -6.1402 -4.2242 H 1 noname 0.0638 43 H12 -9.6484 -8.0251 -4.4398 H 1 noname 0.0839 @BOND 1 1 21 1 2 2 21 1 3 3 21 1 4 4 22 1 5 5 22 1 6 6 22 1 7 7 26 2 8 8 9 1 9 8 23 1 10 8 24 1 11 9 20 2 12 10 20 1 13 10 23 2 14 11 12 1 15 11 26 1 16 11 38 1 17 12 27 1 18 12 39 1 19 13 27 1 20 13 31 2 21 14 17 2 22 14 18 1 23 14 20 1 24 15 18 2 25 15 19 1 26 15 21 1 27 16 17 1 28 16 19 2 29 16 22 1 30 17 32 1 31 18 33 1 32 19 34 1 33 23 35 1 34 24 25 2 35 24 36 1 36 25 26 1 37 25 37 1 38 27 28 2 39 28 29 1 40 28 40 1 41 29 30 2 42 29 41 1 43 30 31 1 44 30 42 1 45 31 43 1 @SUBSTRUCTURE 1 noname 1