@MOLECULE 40 43 1 SMALL USER_CHARGES @ATOM 1 C1 -0.3094 -0.7583 1.2767 C.3 1 noname 0.0424 2 O1 -0.1061 0.1587 0.1844 O.3 1 noname -0.2666 3 C2 -0.9968 -0.0131 -0.8411 C.2 1 noname 0.0275 4 C3 -0.7636 -0.9999 -1.8363 C.2 1 noname 0.0283 5 C4 -1.6832 -1.1794 -2.8931 C.2 1 noname -0.0030 6 C5 -2.7857 -0.3190 -2.9682 C.2 1 noname -0.0330 7 C6 -3.0165 0.6853 -2.0144 C.2 1 noname -0.0366 8 C7 -2.1274 0.8334 -0.9331 C.2 1 noname -0.0132 9 C8 -4.2204 1.4997 -2.3247 C.3 1 noname 0.0649 10 C9 -4.5909 0.8430 -3.5811 C.2 1 noname 0.0365 11 C10 -3.7817 -0.1980 -3.9114 C.2 1 noname -0.0673 12 N1 -4.1927 -0.7161 -5.0710 N.3 1 noname -0.0603 13 N2 -5.2074 -0.0126 -5.4967 N.2 1 noname -0.3501 14 C11 -5.4973 0.9827 -4.6198 C.2 1 noname 0.0508 15 N3 -6.3987 1.9956 -4.6998 N.3 1 noname 0.0117 16 C12 -7.1440 2.3805 -5.7760 C.2 1 noname -0.0152 17 C13 -7.5736 1.5250 -6.8203 C.2 1 noname -0.0062 18 C14 -8.3000 2.0381 -7.9143 C.2 1 noname 0.0208 19 C15 -8.6242 3.4068 -7.9656 C.2 1 noname -0.0304 20 C16 -8.2189 4.2621 -6.9253 C.2 1 noname -0.0466 21 C17 -7.4866 3.7503 -5.8381 C.2 1 noname -0.0599 22 F1 -8.6660 1.2432 -8.8830 F 1 noname -0.1649 23 O2 0.3512 -1.7921 -1.7745 O.3 1 noname -0.2673 24 C18 1.4172 -1.3118 -2.6166 C.3 1 noname 0.0424 25 H1 -0.2410 -1.7822 0.9091 H 1 noname 0.0535 26 H2 0.4545 -0.5934 2.0366 H 1 noname 0.0535 27 H3 -1.2954 -0.5934 1.7110 H 1 noname 0.0535 28 H4 -1.5450 -1.9656 -3.6353 H 1 noname 0.0658 29 H5 -2.3124 1.5949 -0.1756 H 1 noname 0.0654 30 H6 -4.9919 1.3018 -1.5805 H 1 noname 0.0367 31 H7 -3.9179 2.5252 -2.5366 H 1 noname 0.0367 32 H8 -3.7987 -1.5133 -5.5500 H 1 noname 0.1755 33 H9 -6.5315 2.5295 -3.8528 H 1 noname 0.1358 34 H10 -7.3427 0.4604 -6.7815 H 1 noname 0.0670 35 H11 -9.1883 3.8038 -8.8096 H 1 noname 0.0653 36 H12 -8.4724 5.3216 -6.9617 H 1 noname 0.0624 37 H13 -7.1816 4.4220 -5.0357 H 1 noname 0.0639 38 H14 2.2336 -0.9439 -1.9950 H 1 noname 0.0535 39 H15 1.7779 -2.1254 -3.2459 H 1 noname 0.0535 40 H16 1.0466 -0.5026 -3.2459 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 2 6 6 7 1 7 7 8 2 8 3 8 1 9 7 9 1 10 9 10 1 11 10 11 2 12 6 11 1 13 11 12 1 14 12 13 1 15 13 14 2 16 10 14 1 17 14 15 1 18 15 16 1 19 16 17 2 20 17 18 1 21 18 19 2 22 19 20 1 23 20 21 2 24 16 21 1 25 18 22 1 26 4 23 1 27 23 24 1 28 1 25 1 29 1 26 1 30 1 27 1 31 5 28 1 32 8 29 1 33 9 30 1 34 9 31 1 35 12 32 1 36 15 33 1 37 17 34 1 38 19 35 1 39 20 36 1 40 21 37 1 41 24 38 1 42 24 39 1 43 24 40 1 @SUBSTRUCTURE 1 noname 1