@MOLECULE 76961237 45 46 1 SMALL USER_CHARGES @ATOM 1 F1 4.0850 0.3550 -1.1467 F 1 noname -0.1661 2 F2 3.9644 -1.7888 -0.5126 F 1 noname -0.1661 3 F3 4.1870 -1.2733 -2.6799 F 1 noname -0.1661 4 O1 -5.3049 0.9072 2.5895 O.3 1 noname -0.2067 5 O2 -6.0061 1.8781 4.4969 O.2 1 noname -0.2584 6 N1 -1.8827 1.8357 1.5832 N.3 1 noname -0.3115 7 C1 -1.0493 1.4521 0.4449 C.3 1 noname 0.0081 8 C2 -0.8363 -0.0629 0.4563 C.3 1 noname 0.0156 9 C3 -0.0041 -0.4460 -0.6804 C.2 1 noname -0.0472 10 C4 0.3045 2.1582 0.5430 C.3 1 noname -0.0494 11 C5 -3.1763 1.1611 1.4894 C.3 1 noname 0.0197 12 C6 1.3790 -0.4845 -0.5475 C.2 1 noname -0.0290 13 C7 -0.5948 -0.7722 -1.8956 C.2 1 noname -0.0609 14 C8 -4.0485 1.5625 2.6806 C.3 1 noname 0.0692 15 C9 2.1713 -0.8492 -1.6297 C.2 1 noname -0.0112 16 C10 0.1975 -1.1369 -2.9779 C.2 1 noname -0.0533 17 C11 1.5806 -1.1754 -2.8449 C.2 1 noname -0.0337 18 C12 3.6241 -0.8897 -1.4901 C.3 1 noname 0.4161 19 C13 -6.2433 1.1118 3.5383 C.2 1 noname 0.0874 20 C14 -7.4732 0.4703 3.4491 C.2 1 noname -0.0033 21 C15 -8.4394 0.6810 4.4259 C.2 1 noname -0.0060 22 C16 -7.7369 -0.3818 2.3830 C.2 1 noname -0.0060 23 C17 -9.6693 0.0396 4.3367 C.2 1 noname -0.0428 24 C18 -8.9668 -1.0233 2.2938 C.2 1 noname -0.0428 25 C19 -9.9330 -0.8126 3.2707 C.2 1 noname -0.0356 26 H1 -1.5442 1.7425 -0.4819 H 1 noname 0.0465 27 H2 -1.8008 -0.5659 0.3864 H 1 noname 0.0332 28 H3 -0.3415 -0.3533 1.3831 H 1 noname 0.0332 29 H4 -2.0250 2.8478 1.5755 H 1 noname 0.1225 30 H5 0.9258 1.8722 -0.3056 H 1 noname 0.0246 31 H6 0.1527 3.2376 0.5349 H 1 noname 0.0246 32 H7 0.7993 1.8679 1.4698 H 1 noname 0.0246 33 H8 -3.6712 1.4514 0.5626 H 1 noname 0.0452 34 H9 -3.0246 0.0817 1.4975 H 1 noname 0.0452 35 H10 1.8125 -0.2452 0.3442 H 1 noname 0.0631 36 H11 -1.6098 -0.7439 -1.9932 H 1 noname 0.0625 37 H12 -4.2002 2.6419 2.6725 H 1 noname 0.0586 38 H13 -3.5536 1.2722 3.6074 H 1 noname 0.0586 39 H14 -0.2360 -1.3762 -3.8696 H 1 noname 0.0622 40 H15 2.1620 -1.4430 -3.6391 H 1 noname 0.0628 41 H16 -8.2459 1.3063 5.2082 H 1 noname 0.0631 42 H17 -7.0279 -0.5364 1.6662 H 1 noname 0.0631 43 H18 -10.3783 0.1942 5.0535 H 1 noname 0.0622 44 H19 -9.1603 -1.6486 1.5116 H 1 noname 0.0622 45 H20 -10.8355 -1.2833 3.2052 H 1 noname 0.0622 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 14 1 5 4 19 1 6 5 19 2 7 7 6 1 8 6 11 1 9 6 29 1 10 7 8 1 11 7 10 1 12 7 26 1 13 8 9 1 14 8 27 1 15 8 28 1 16 9 12 2 17 9 13 1 18 10 30 1 19 10 31 1 20 10 32 1 21 11 14 1 22 11 33 1 23 11 34 1 24 12 15 1 25 12 35 1 26 13 16 2 27 13 36 1 28 14 37 1 29 14 38 1 30 15 17 2 31 15 18 1 32 16 17 1 33 16 39 1 34 17 40 1 35 19 20 1 36 20 21 2 37 20 22 1 38 21 23 1 39 21 41 1 40 22 24 2 41 22 42 1 42 23 25 2 43 23 43 1 44 24 25 1 45 24 44 1 46 25 45 1 @SUBSTRUCTURE 1 noname 1