@MOLECULE 31088 53 57 1 SMALL USER_CHARGES @ATOM 1 F1 6.5890 -1.6845 2.7525 F 1 noname -0.1661 2 C1 7.1244 -1.4716 1.5085 C.3 1 noname 0.4161 3 F2 8.2582 -0.7094 1.6233 F 1 noname -0.1661 4 F3 7.4397 -2.6761 0.9344 F 1 noname -0.1661 5 C2 6.1515 -0.7740 0.6728 C.2 1 noname -0.0319 6 C3 6.1559 0.6579 0.6685 C.2 1 noname -0.0283 7 C4 5.2385 -1.5504 -0.1035 C.2 1 noname -0.0283 8 C5 5.2057 1.3444 -0.1461 C.2 1 noname -0.0458 9 C6 4.2996 -0.8535 -0.9089 C.2 1 noname -0.0458 10 C7 4.2686 0.5966 -0.9409 C.2 1 noname -0.0274 11 N1 3.3670 1.2991 -1.7094 N.3 1 noname 0.0092 12 C8 2.4612 0.6554 -2.4821 C.2 1 noname -0.0095 13 N2 2.7847 0.1695 -3.6911 N.2 1 noname -0.2472 14 N3 1.3230 0.1404 -1.9757 N.3 1 noname -0.0321 15 C9 1.8421 -0.7489 -3.9385 C.2 1 noname 0.0110 16 C10 0.9198 -0.7569 -2.8729 C.2 1 noname -0.0861 17 C11 0.6954 0.4786 -0.7592 C.3 1 noname -0.0544 18 C12 1.7058 -1.6064 -5.0447 C.2 1 noname 0.0293 19 C13 -0.2057 -1.6200 -2.8045 C.2 1 noname -0.0275 20 C14 0.5209 -2.4090 -5.0411 C.2 1 noname 0.0234 21 C15 -0.3834 -2.4623 -3.9304 C.2 1 noname -0.0065 22 O1 0.1326 -2.9778 -6.2349 O.3 1 noname -0.1996 23 C16 -0.6554 -2.1961 -7.0929 C.2 1 noname 0.0319 24 C17 -1.0200 -2.8374 -8.2990 C.2 1 noname 0.0331 25 C18 -1.0848 -0.8490 -6.8273 C.2 1 noname 0.0113 26 C19 -1.7894 -2.0818 -9.2381 C.2 1 noname 0.0447 27 C20 -1.8830 -0.1321 -7.7408 C.2 1 noname 0.0155 28 N4 -2.1935 -0.8117 -8.8856 N.2 1 noname -0.2398 29 C21 -2.3768 -2.6496 -10.3725 C.2 1 noname -0.0131 30 N5 -3.0111 -1.9324 -11.3170 N.2 1 noname -0.2116 31 N6 -2.6565 -3.9576 -10.5040 N.3 1 noname -0.0028 32 C22 -3.8944 -2.7637 -11.8874 C.2 1 noname 0.0483 33 C23 -3.6736 -4.0449 -11.3740 C.2 1 noname -0.0129 34 C24 -4.4135 -5.2549 -11.7207 C.3 1 noname 0.4305 35 F4 -5.0029 -5.7686 -10.5945 F 1 noname -0.1647 36 F5 -3.5523 -6.1816 -12.2490 F 1 noname -0.1647 37 F6 -5.3801 -4.9506 -12.6441 F 1 noname -0.1647 38 H1 6.8700 1.2154 1.2747 H 1 noname 0.0629 39 H2 5.2576 -2.6400 -0.0820 H 1 noname 0.0629 40 H3 5.1956 2.4342 -0.1612 H 1 noname 0.0639 41 H4 3.5980 -1.4355 -1.5065 H 1 noname 0.0639 42 H5 3.3702 2.3091 -1.7063 H 1 noname 0.1370 43 H6 0.4207 -0.4319 -0.2267 H 1 noname 0.0437 44 H7 1.3811 1.0646 -0.1473 H 1 noname 0.0437 45 H8 -0.2007 1.0646 -0.9634 H 1 noname 0.0437 46 H9 2.4540 -1.6456 -5.8364 H 1 noname 0.0673 47 H10 -0.8832 -1.6349 -1.9508 H 1 noname 0.0644 48 H11 -1.2230 -3.1573 -3.9422 H 1 noname 0.0651 49 H12 -0.7216 -3.8671 -8.4959 H 1 noname 0.0674 50 H13 -0.7950 -0.3537 -5.9007 H 1 noname 0.0666 51 H14 -2.2381 0.8845 -7.5723 H 1 noname 0.0840 52 H15 -2.1927 -4.7253 -10.0396 H 1 noname 0.1544 53 H16 -4.6413 -2.4594 -12.6206 H 1 noname 0.0860 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 1 17 14 17 1 18 15 18 1 19 15 16 2 20 16 19 1 21 18 20 2 22 19 21 2 23 20 22 1 24 20 21 1 25 22 23 1 26 23 24 2 27 23 25 1 28 24 26 1 29 25 27 2 30 26 28 2 31 26 29 1 32 27 28 1 33 29 30 2 34 29 31 1 35 30 32 1 36 31 33 1 37 32 33 2 38 33 34 1 39 34 35 1 40 34 36 1 41 34 37 1 42 6 38 1 43 7 39 1 44 8 40 1 45 9 41 1 46 11 42 1 47 17 43 1 48 17 44 1 49 17 45 1 50 18 46 1 51 19 47 1 52 21 48 1 53 24 49 1 54 25 50 1 55 27 51 1 56 31 52 1 57 32 53 1 @SUBSTRUCTURE 1 noname 1