@MOLECULE 50341209 47 51 1 SMALL USER_CHARGES @ATOM 1 F1 5.7509 -0.1609 2.9569 F 1 noname -0.1661 2 C1 5.2093 -1.4145 3.0788 C.3 1 noname 0.4161 3 F2 4.4456 -1.4738 4.2159 F 1 noname -0.1661 4 F3 6.2162 -2.3418 3.1557 F 1 noname -0.1661 5 C2 4.3736 -1.6988 1.9160 C.2 1 noname -0.0008 6 C3 3.2375 -0.8702 1.6023 C.2 1 noname 0.0045 7 C4 4.6633 -2.8130 1.0545 C.2 1 noname -0.0231 8 C5 2.4551 -1.0746 0.3862 C.2 1 noname -0.0079 9 C6 3.8721 -3.1309 -0.0921 C.2 1 noname -0.0429 10 N1 1.5194 -0.0945 -0.0515 N.3 1 noname -0.1137 11 C7 2.7914 -2.2462 -0.4126 C.2 1 noname -0.0272 12 C8 0.1066 -0.1659 -0.0865 C.2 1 noname 0.0143 13 C9 2.1366 1.1127 -0.3679 C.2 1 noname 0.1015 14 C10 -0.7327 -1.3333 -0.1467 C.2 1 noname 0.0165 15 C11 -0.6287 1.0908 -0.0904 C.2 1 noname 0.0114 16 O1 3.3715 1.1099 -0.5620 O.2 1 noname -0.2762 17 C12 1.4462 2.3431 -0.4825 C.2 1 noname 0.0510 18 C13 -2.1686 -1.2283 -0.0319 C.2 1 noname 0.0380 19 C14 -0.2411 -2.6173 -0.4233 C.2 1 noname -0.0136 20 C15 -2.0300 1.1697 0.0965 C.2 1 noname 0.0094 21 C16 0.0499 2.3253 -0.2770 C.2 1 noname 0.0024 22 N2 -2.7275 0.0018 0.1302 N.2 1 noname -0.2437 23 C17 -3.0750 -2.3283 -0.1584 C.2 1 noname -0.0085 24 C18 -1.0750 -3.7373 -0.6995 C.2 1 noname -0.0334 25 C19 -2.4866 -3.5711 -0.4996 C.2 1 noname -0.0305 26 C20 -0.4705 -4.9409 -1.2516 C.2 1 noname -0.0429 27 C21 -1.0810 -6.2334 -1.1418 C.2 1 noname 0.0045 28 C22 0.7827 -4.9130 -1.9911 C.2 1 noname -0.0333 29 N3 -0.4637 -7.3313 -1.6987 N.2 1 noname -0.2660 30 C23 1.4242 -6.0416 -2.5620 C.2 1 noname -0.0342 31 C24 0.7350 -7.2706 -2.3728 C.2 1 noname 0.0219 32 N4 1.2658 -8.3990 -2.8633 N.3 1 noname -0.1197 33 H1 2.9653 -0.0753 2.2967 H 1 noname 0.0645 34 H2 5.5217 -3.4455 1.2809 H 1 noname 0.0628 35 H3 4.0843 -4.0121 -0.6976 H 1 noname 0.0623 36 H4 2.2011 -2.4738 -1.3002 H 1 noname 0.0639 37 H5 1.9698 3.2692 -0.7198 H 1 noname 0.0675 38 H6 0.8407 -2.7512 -0.4235 H 1 noname 0.0636 39 H7 -2.5627 2.1135 0.2125 H 1 noname 0.0846 40 H8 -0.5039 3.2640 -0.2625 H 1 noname 0.0631 41 H9 -4.1491 -2.2256 -0.0043 H 1 noname 0.0645 42 H10 -3.1450 -4.4324 -0.6125 H 1 noname 0.0629 43 H11 -2.0298 -6.3837 -0.6267 H 1 noname 0.0846 44 H12 1.2882 -3.9574 -2.1305 H 1 noname 0.0630 45 H13 2.3687 -5.9703 -3.1014 H 1 noname 0.0656 46 H14 0.6744 -9.1966 -3.0482 H 1 noname 0.1257 47 H15 2.2574 -8.4519 -3.0482 H 1 noname 0.1257 @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 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 1 15 12 15 2 16 13 16 2 17 13 17 1 18 14 18 1 19 14 19 2 20 15 20 1 21 15 21 1 22 17 21 2 23 18 22 1 24 18 23 2 25 19 24 1 26 20 22 2 27 23 25 1 28 24 26 1 29 24 25 2 30 26 27 2 31 26 28 1 32 27 29 1 33 28 30 2 34 29 31 2 35 30 31 1 36 31 32 1 37 6 33 1 38 7 34 1 39 9 35 1 40 11 36 1 41 17 37 1 42 19 38 1 43 20 39 1 44 21 40 1 45 23 41 1 46 25 42 1 47 27 43 1 48 28 44 1 49 30 45 1 50 32 46 1 51 32 47 1 @SUBSTRUCTURE 1 noname 1