@MOLECULE 56935577 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 1.2138 2.4851 -2.8545 F 1 noname -0.1655 2 O1 -2.6614 -4.2028 4.2907 O.2 1 noname -0.2944 3 O2 -0.2147 -4.2297 -1.3517 O.2 1 noname -0.2750 4 N1 -2.5866 -3.7578 -0.1629 N.3 1 noname -0.0468 5 N2 1.3089 -2.8745 -2.2388 N.3 1 noname -0.1348 6 N3 -4.4315 -5.3268 3.3734 N.3 1 noname -0.0756 7 N4 -7.5027 -4.8911 5.4016 N.3 1 noname -0.3025 8 C1 -2.2494 -2.8500 1.8154 C.2 1 noname -0.0074 9 C2 -1.9934 -2.7252 0.4494 C.2 1 noname -0.1128 10 C3 -1.8723 -1.7752 2.7933 C.3 1 noname 0.0224 11 C4 -1.2578 -1.6579 -0.1018 C.2 1 noname 0.0012 12 C5 -1.1852 -0.5527 2.1154 C.3 1 noname -0.0450 13 C6 -1.5306 -0.3978 0.6112 C.3 1 noname -0.0249 14 C7 -2.9382 -4.0596 2.0222 C.2 1 noname -0.0069 15 C8 -0.3250 -1.8331 -1.0795 C.2 1 noname 0.0547 16 C9 -3.1465 -4.5921 0.7439 C.2 1 noname -0.0610 17 C10 0.4442 -0.8918 -1.7618 C.2 1 noname 0.0048 18 C11 -3.3296 -4.5527 3.2836 C.2 1 noname 0.0173 19 C12 0.1863 -3.0556 -1.5380 C.2 1 noname 0.1022 20 C13 -3.7859 -5.8253 0.2820 C.3 1 noname 0.0150 21 C14 1.4596 -1.5723 -2.4402 C.2 1 noname -0.0024 22 C15 -5.1467 -5.5408 4.5729 C.3 1 noname 0.0158 23 C16 -6.4859 -4.8241 4.3267 C.3 1 noname 0.0112 24 C17 0.3622 0.5063 -1.9290 C.2 1 noname 0.0212 25 C18 2.4020 -0.9191 -3.2534 C.2 1 noname -0.0131 26 C19 -8.8238 -4.4800 4.8340 C.3 1 noname -0.0046 27 C20 -7.0922 -3.8878 6.4232 C.3 1 noname -0.0046 28 C21 1.2980 1.1895 -2.7251 C.2 1 noname 0.0283 29 C22 2.3095 0.4801 -3.3966 C.2 1 noname 0.0075 30 C23 -9.6428 -5.5051 4.0133 C.3 1 noname -0.0524 31 C24 -7.6357 -4.0588 7.8597 C.3 1 noname -0.0524 32 H1 -2.7801 -1.4289 3.3041 H 1 noname 0.0317 33 H2 -1.1844 -2.1912 3.5368 H 1 noname 0.0317 34 H3 -1.4536 0.3642 2.6406 H 1 noname 0.0273 35 H4 -0.0999 -0.6676 2.2072 H 1 noname 0.0273 36 H5 -2.5817 -0.1205 0.4817 H 1 noname 0.0317 37 H6 -0.9297 0.4332 0.3239 H 1 noname 0.0317 38 H7 -2.5871 -3.8997 -1.1241 H 1 noname 0.1525 39 H8 -3.9219 -6.5358 1.0966 H 1 noname 0.0293 40 H9 -4.7541 -5.5893 -0.1596 H 1 noname 0.0293 41 H10 -3.1968 -6.2450 -0.5334 H 1 noname 0.0293 42 H11 1.8901 -3.5844 -2.5596 H 1 noname 0.1374 43 H12 -4.8180 -5.6765 2.5640 H 1 noname 0.1313 44 H13 -5.3246 -6.6081 4.7044 H 1 noname 0.0446 45 H14 -4.6576 -5.1122 5.4477 H 1 noname 0.0446 46 H15 -6.9212 -5.1783 3.3922 H 1 noname 0.0443 47 H16 -6.2525 -3.7678 4.1929 H 1 noname 0.0443 48 H17 -0.3766 1.0671 -1.5311 H 1 noname 0.0660 49 H18 3.1185 -1.4518 -3.7542 H 1 noname 0.0640 50 H19 -7.3263 -2.8859 6.0631 H 1 noname 0.0427 51 H20 -6.0063 -3.9488 6.4957 H 1 noname 0.0427 52 H21 -9.4477 -4.0680 5.6271 H 1 noname 0.0427 53 H22 -8.6116 -3.6554 4.1534 H 1 noname 0.0427 54 H23 2.9698 0.9709 -4.0029 H 1 noname 0.0653 55 H24 -10.5713 -5.0431 3.6777 H 1 noname 0.0243 56 H25 -9.8717 -6.3696 4.6364 H 1 noname 0.0243 57 H26 -9.0624 -5.8244 3.1477 H 1 noname 0.0243 58 H27 -7.2530 -3.2568 8.4908 H 1 noname 0.0243 59 H28 -8.7249 -4.0199 7.8431 H 1 noname 0.0243 60 H29 -7.3125 -5.0205 8.2583 H 1 noname 0.0243 @BOND 1 1 28 1 2 2 18 2 3 3 19 2 4 4 9 1 5 4 16 1 6 4 38 1 7 5 19 1 8 5 21 1 9 5 42 1 10 6 18 1 11 6 22 1 12 6 43 1 13 7 23 1 14 7 26 1 15 7 27 1 16 8 9 2 17 8 10 1 18 8 14 1 19 9 11 1 20 10 12 1 21 10 32 1 22 10 33 1 23 11 13 1 24 11 15 2 25 12 13 1 26 12 34 1 27 12 35 1 28 13 36 1 29 13 37 1 30 14 16 2 31 14 18 1 32 15 17 1 33 15 19 1 34 16 20 1 35 17 21 2 36 17 24 1 37 20 39 1 38 20 40 1 39 20 41 1 40 21 25 1 41 22 23 1 42 22 44 1 43 22 45 1 44 23 46 1 45 23 47 1 46 24 28 2 47 24 48 1 48 25 29 2 49 25 49 1 50 26 30 1 51 26 52 1 52 26 53 1 53 27 31 1 54 27 50 1 55 27 51 1 56 28 29 1 57 29 54 1 58 30 55 1 59 30 56 1 60 30 57 1 61 31 58 1 62 31 59 1 63 31 60 1 @SUBSTRUCTURE 1 noname 1