@MOLECULE 69991727 42 43 1 SMALL USER_CHARGES @ATOM 1 F1 4.0855 -0.2932 1.3710 F 1 noname -0.1605 2 F2 3.2890 -2.8842 -1.2008 F 1 noname -0.1660 3 F3 3.1773 -3.8732 0.8046 F 1 noname -0.1660 4 F4 4.6548 -2.2293 0.4479 F 1 noname -0.1660 5 O1 -1.2046 -1.2528 0.6032 O.3 1 noname -0.2665 6 O2 -3.8098 -0.0498 -1.0474 O.2 1 noname -0.2863 7 N1 -3.4808 -2.2617 -0.8679 N.3 1 noname -0.0676 8 C1 -1.5989 -0.7451 -0.6629 C.3 1 noname 0.1371 9 C2 -1.3419 0.7625 -0.7103 C.3 1 noname -0.0204 10 C3 -3.0210 -1.0030 -0.8693 C.2 1 noname 0.0533 11 C4 -4.8542 -2.5108 -1.0673 C.3 1 noname 0.0279 12 C5 -1.7667 1.3096 -2.0746 C.3 1 noname -0.0624 13 C6 0.1103 -1.0143 0.7941 C.2 1 noname 0.0067 14 C7 -5.0995 -3.9494 -1.0220 C.2 1 noname -0.0486 15 C8 1.0530 -1.9503 0.3850 C.2 1 noname 0.0219 16 C9 2.4070 -1.7047 0.5815 C.2 1 noname 0.0499 17 C10 0.5216 0.1673 1.3997 C.2 1 noname -0.0094 18 C11 2.8182 -0.5231 1.1871 C.2 1 noname 0.0446 19 C12 1.8755 0.4129 1.5962 C.2 1 noname 0.0107 20 C13 -6.3884 -4.4404 -1.1942 C.2 1 noname -0.0531 21 C14 -4.0440 -4.8279 -0.8068 C.2 1 noname -0.0531 22 C15 3.3971 -2.6878 0.1518 C.3 1 noname 0.4190 23 C16 -6.6219 -5.8100 -1.1511 C.2 1 noname -0.0594 24 C17 -4.2775 -6.1975 -0.7637 C.2 1 noname -0.0594 25 C18 -5.5664 -6.6885 -0.9359 C.2 1 noname -0.0613 26 H1 -1.0229 -1.2367 -1.4469 H 1 noname 0.0706 27 H2 -1.9179 1.2541 0.0737 H 1 noname 0.0295 28 H3 -0.2802 0.9551 -0.5562 H 1 noname 0.0295 29 H4 -5.4302 -2.0192 -0.2833 H 1 noname 0.0483 30 H5 -5.1569 -2.1210 -2.0392 H 1 noname 0.0483 31 H6 -2.8687 -3.0014 -0.7297 H 1 noname 0.1314 32 H7 -1.5836 2.3836 -2.1083 H 1 noname 0.0231 33 H8 -2.8284 1.1170 -2.2287 H 1 noname 0.0231 34 H9 -1.1907 0.8180 -2.8586 H 1 noname 0.0231 35 H10 0.7512 -2.8174 -0.0595 H 1 noname 0.0657 36 H11 -0.1701 0.8541 1.6999 H 1 noname 0.0651 37 H12 2.1773 1.2799 2.0406 H 1 noname 0.0654 38 H13 -7.1629 -3.7957 -1.3521 H 1 noname 0.0626 39 H14 -3.0982 -4.4676 -0.6804 H 1 noname 0.0626 40 H15 -7.5677 -6.1703 -1.2775 H 1 noname 0.0622 41 H16 -3.5030 -6.8421 -0.6058 H 1 noname 0.0622 42 H17 -5.7378 -7.6935 -0.9043 H 1 noname 0.0622 @BOND 1 1 18 1 2 2 22 1 3 3 22 1 4 4 22 1 5 8 5 1 6 5 13 1 7 6 10 2 8 7 10 1 9 7 11 1 10 7 31 1 11 8 9 1 12 8 10 1 13 8 26 1 14 9 12 1 15 9 27 1 16 9 28 1 17 11 14 1 18 11 29 1 19 11 30 1 20 12 32 1 21 12 33 1 22 12 34 1 23 13 15 2 24 13 17 1 25 14 20 2 26 14 21 1 27 15 16 1 28 15 35 1 29 16 18 2 30 16 22 1 31 17 19 2 32 17 36 1 33 18 19 1 34 19 37 1 35 20 23 1 36 20 38 1 37 21 24 2 38 21 39 1 39 23 25 2 40 23 40 1 41 24 25 1 42 24 41 1 43 25 42 1 @SUBSTRUCTURE 1 noname 1