@MOLECULE 71587725 45 46 1 SMALL USER_CHARGES @ATOM 1 F1 0.1877 -2.1794 2.1782 F 1 noname -0.1472 2 F2 0.7752 1.5971 -0.6523 F 1 noname -0.1472 3 F3 1.8334 2.9233 1.4154 F 1 noname -0.1472 4 F4 1.2607 -0.7704 4.1951 F 1 noname -0.1472 5 O1 -1.5275 -0.9288 -0.6140 O.3 1 noname -0.2023 6 O2 -1.8050 -2.9608 -1.6080 O.2 1 noname -0.2523 7 O3 1.2925 2.9915 4.1876 O.3 1 noname -0.3796 8 C1 -4.6288 -2.8807 -1.3111 C.3 1 noname -0.0155 9 C2 -4.4435 -2.1696 -2.6514 C.3 1 noname -0.0047 10 C3 -3.7393 -1.6239 -1.3855 C.3 1 noname 0.0576 11 C4 -5.9898 -2.5079 -0.7199 C.3 1 noname -0.0585 12 C5 -3.9196 -4.2247 -1.1335 C.3 1 noname -0.0585 13 C6 -3.8335 -3.0130 -3.6456 C.2 1 noname -0.0867 14 C7 -2.3074 -1.8865 -1.1919 C.2 1 noname 0.1435 15 C8 -2.8292 -2.5354 -4.3862 C.2 1 noname -0.0888 16 C9 -0.1082 -1.0809 -0.4563 C.3 1 noname 0.0874 17 C10 -2.2148 -3.3634 -5.3770 C.3 1 noname -0.0470 18 C11 0.4625 -0.3580 0.6699 C.2 1 noname 0.0889 19 C12 0.6021 -0.9646 1.9468 C.2 1 noname 0.0948 20 C13 0.9018 0.9779 0.4910 C.2 1 noname 0.0948 21 C14 1.4435 1.6938 1.5729 C.2 1 noname 0.0947 22 C15 1.1456 -0.2332 3.0189 C.2 1 noname 0.0947 23 C16 1.5537 1.0895 2.8295 C.2 1 noname 0.0887 24 C17 2.0993 1.8470 3.9521 C.3 1 noname 0.0773 25 C18 1.8232 3.7282 5.2794 C.3 1 noname 0.0360 26 H1 -5.4089 -1.7806 -2.9226 H 1 noname 0.0360 27 H2 -4.1858 -0.6984 -0.9743 H 1 noname 0.0421 28 H3 -4.1339 -4.6202 -0.1407 H 1 noname 0.0236 29 H4 -4.2753 -4.9258 -1.8885 H 1 noname 0.0236 30 H5 -2.8442 -4.0856 -1.2448 H 1 noname 0.0236 31 H6 -6.1220 -3.0150 0.2359 H 1 noname 0.0236 32 H7 -6.7799 -2.8137 -1.4057 H 1 noname 0.0236 33 H8 -6.0372 -1.4295 -0.5686 H 1 noname 0.0236 34 H9 -4.1554 -3.9396 -3.7795 H 1 noname 0.0575 35 H10 -2.5104 -1.6082 -4.2489 H 1 noname 0.0569 36 H11 0.1364 -2.1396 -0.3700 H 1 noname 0.0626 37 H12 0.3082 -0.6849 -1.3825 H 1 noname 0.0626 38 H13 -2.3246 -2.8993 -6.3572 H 1 noname 0.0273 39 H14 -2.6957 -4.3415 -5.3822 H 1 noname 0.0273 40 H15 -1.1558 -3.4804 -5.1470 H 1 noname 0.0273 41 H16 2.1089 1.2195 4.8433 H 1 noname 0.0619 42 H17 3.1164 2.1613 3.7181 H 1 noname 0.0619 43 H18 1.2039 4.6067 5.4602 H 1 noname 0.0529 44 H19 1.8328 3.1007 6.1706 H 1 noname 0.0529 45 H20 2.8404 4.0425 5.0454 H 1 noname 0.0529 @BOND 1 1 19 1 2 2 20 1 3 3 21 1 4 4 22 1 5 5 14 1 6 5 16 1 7 6 14 2 8 7 24 1 9 7 25 1 10 8 9 1 11 8 10 1 12 8 11 1 13 8 12 1 14 9 10 1 15 9 13 1 16 9 26 1 17 10 14 1 18 10 27 1 19 11 31 1 20 11 32 1 21 11 33 1 22 12 28 1 23 12 29 1 24 12 30 1 25 13 15 2 26 13 34 1 27 15 17 1 28 15 35 1 29 16 18 1 30 16 36 1 31 16 37 1 32 17 38 1 33 17 39 1 34 17 40 1 35 18 19 2 36 18 20 1 37 19 22 1 38 20 21 2 39 21 23 1 40 22 23 2 41 23 24 1 42 24 41 1 43 24 42 1 44 25 43 1 45 25 44 1 46 25 45 1 @SUBSTRUCTURE 1 noname 1