@MOLECULE 73388393 65 67 1 SMALL USER_CHARGES @ATOM 1 F1 7.2833 -4.4759 -2.4585 F 1 noname -0.1711 2 F2 5.8639 -3.3608 -3.7829 F 1 noname -0.1711 3 F3 5.9528 -5.5962 -3.8681 F 1 noname -0.1711 4 F4 2.8931 -10.7765 -0.9468 F 1 noname -0.1711 5 F5 1.4737 -9.6614 -2.2712 F 1 noname -0.1711 6 F6 3.6772 -9.5592 -2.6543 F 1 noname -0.1711 7 F7 5.9850 0.3850 -0.2510 F 1 noname -0.1648 8 O1 0.8942 -5.6501 -2.9534 O.2 1 noname -0.2935 9 O2 1.9617 -6.0924 1.5761 O.2 1 noname -0.2972 10 O3 -1.3801 -1.5605 0.1575 O.2 1 noname -0.2615 11 N1 0.2028 -3.6674 -1.8574 N.3 1 noname -0.0577 12 N2 0.3394 -6.0979 0.0265 N.3 1 noname -0.0897 13 N3 1.6190 -1.8313 -1.3528 N.2 1 noname -0.2390 14 N4 -1.0640 -0.8642 -1.9315 N.3 1 noname -0.1263 15 C1 2.5090 -4.7010 -1.5353 C.3 1 noname 0.0441 16 C2 2.7110 -5.9754 -0.7131 C.3 1 noname 0.0438 17 C3 3.5860 -4.6168 -2.6187 C.3 1 noname -0.0328 18 C4 2.6129 -7.1398 -1.5884 C.3 1 noname -0.0328 19 C5 1.1903 -4.7296 -2.1612 C.2 1 noname 0.0478 20 C6 4.9680 -4.5869 -1.9628 C.3 1 noname 0.0441 21 C7 2.8149 -8.4143 -0.7663 C.3 1 noname 0.0441 22 C8 1.6340 -6.0595 0.3703 C.2 1 noname 0.0344 23 C9 0.4866 -2.5433 -0.9256 C.3 1 noname 0.1809 24 C10 6.0450 -4.5028 -3.0462 C.3 1 noname 0.3888 25 C11 2.7121 -9.6345 -1.6835 C.3 1 noname 0.3888 26 C12 -0.6667 -1.6256 -0.8745 C.2 1 noname 0.1502 27 C13 1.9088 -1.1526 -2.4218 C.2 1 noname 0.0107 28 C14 -0.4764 -0.6586 -3.1728 C.2 1 noname -0.0059 29 C15 0.9272 -0.8689 -3.4356 C.2 1 noname -0.0088 30 C16 -1.3315 -0.1701 -4.2365 C.2 1 noname -0.0270 31 C17 3.2825 -0.7124 -2.4780 C.2 1 noname -0.0136 32 C18 1.3006 -0.7019 -4.7987 C.2 1 noname -0.0396 33 C19 -0.8018 0.1199 -5.5197 C.2 1 noname -0.0537 34 C20 0.5343 -0.1073 -5.7820 C.2 1 noname -0.0568 35 C21 -2.7906 0.0611 -4.1021 C.3 1 noname 0.0062 36 C22 3.9690 -0.3622 -1.2618 C.2 1 noname 0.0166 37 C23 4.1143 -0.6420 -3.6608 C.2 1 noname -0.0379 38 C24 5.2978 0.1532 -1.3238 C.2 1 noname 0.0309 39 C25 5.3467 0.0523 -3.7333 C.2 1 noname -0.0369 40 C26 5.9544 0.4560 -2.5338 C.2 1 noname -0.0007 41 H1 2.5823 -3.8316 -0.8819 H 1 noname 0.0405 42 H2 3.6956 -5.9541 -0.2459 H 1 noname 0.0405 43 H3 3.4421 -3.7089 -3.2044 H 1 noname 0.0278 44 H4 3.5127 -5.4862 -3.2721 H 1 noname 0.0278 45 H5 1.6284 -7.1612 -2.0557 H 1 noname 0.0278 46 H6 3.3802 -7.0799 -2.3602 H 1 noname 0.0278 47 H7 5.0412 -3.7176 -1.3094 H 1 noname 0.0359 48 H8 5.1119 -5.4948 -1.3771 H 1 noname 0.0359 49 H9 2.0476 -8.4742 0.0056 H 1 noname 0.0359 50 H10 3.7995 -8.3929 -0.2990 H 1 noname 0.0359 51 H11 -0.6393 -3.5817 -2.4357 H 1 noname 0.1337 52 H12 0.6468 -2.9558 0.0917 H 1 noname 0.0827 53 H13 0.0851 -6.0723 -0.9092 H 1 noname 0.1271 54 H14 -0.3434 -6.1512 0.7134 H 1 noname 0.1271 55 H15 -1.9273 -0.4378 -1.7854 H 1 noname 0.1372 56 H16 2.1239 -1.0421 -5.2163 H 1 noname 0.0630 57 H17 -1.3620 0.4485 -6.3132 H 1 noname 0.0625 58 H18 0.9339 0.0918 -6.6977 H 1 noname 0.0622 59 H19 -3.2839 -0.8745 -3.8384 H 1 noname 0.0280 60 H20 -3.1890 0.4278 -5.0481 H 1 noname 0.0280 61 H21 -2.9710 0.7996 -3.3211 H 1 noname 0.0280 62 H22 3.5408 -0.4874 -0.3179 H 1 noname 0.0660 63 H23 3.9219 -1.1705 -4.5040 H 1 noname 0.0629 64 H24 5.7815 0.2537 -4.6337 H 1 noname 0.0623 65 H25 6.8447 0.9538 -2.5378 H 1 noname 0.0653 @BOND 1 1 24 1 2 2 24 1 3 3 24 1 4 4 25 1 5 5 25 1 6 6 25 1 7 7 38 1 8 8 19 2 9 9 22 2 10 10 26 2 11 11 19 1 12 23 11 1 13 11 51 1 14 12 22 1 15 12 53 1 16 12 54 1 17 13 23 1 18 13 27 2 19 14 26 1 20 14 28 1 21 14 55 1 22 15 16 1 23 15 17 1 24 15 19 1 25 15 41 1 26 16 18 1 27 16 22 1 28 16 42 1 29 17 20 1 30 17 43 1 31 17 44 1 32 18 21 1 33 18 45 1 34 18 46 1 35 20 24 1 36 20 47 1 37 20 48 1 38 21 25 1 39 21 49 1 40 21 50 1 41 23 26 1 42 23 52 1 43 27 29 1 44 27 31 1 45 28 29 1 46 28 30 2 47 29 32 2 48 30 33 1 49 30 35 1 50 31 36 2 51 31 37 1 52 32 34 1 53 32 56 1 54 33 34 2 55 33 57 1 56 34 58 1 57 35 59 1 58 35 60 1 59 35 61 1 60 36 38 1 61 36 62 1 62 37 39 2 63 37 63 1 64 38 40 2 65 39 40 1 66 39 64 1 67 40 65 1 @SUBSTRUCTURE 1 noname 1