@MOLECULE 116097 60 64 1 SMALL USER_CHARGES @ATOM 1 F1 1.1966 -4.3656 5.8186 F 1 noname -0.1567 2 C1 0.3954 -3.3471 5.9342 C.2 1 noname 0.0677 3 C2 0.8329 -2.0056 5.7358 C.2 1 noname 0.0466 4 C3 -0.9763 -3.4932 6.2668 C.2 1 noname 0.0321 5 C4 2.2152 -1.9113 5.2518 C.2 1 noname 0.0338 6 C5 -0.0048 -0.8522 5.9099 C.2 1 noname 0.0038 7 C6 -1.8850 -2.3688 6.4074 C.2 1 noname 0.0000 8 O1 2.8593 -2.9628 5.0470 O.2 1 noname -0.2909 9 N1 2.8688 -0.6083 4.9991 N.3 1 noname -0.0588 10 C7 -1.3637 -1.0484 6.2376 C.2 1 noname -0.0216 11 C8 -3.2943 -2.5146 6.7322 C.2 1 noname 0.0476 12 C9 4.2155 -0.4697 5.5876 C.3 1 noname 0.0625 13 C10 2.2948 0.5625 4.2523 C.3 1 noname 0.0228 14 N2 -4.0765 -1.3645 6.8036 N.2 1 noname -0.2222 15 C11 -3.9544 -3.7618 7.0004 C.2 1 noname 0.0406 16 C12 4.0859 0.6867 6.4914 C.2 1 noname -0.0465 17 C13 2.2191 1.7886 5.2253 C.3 1 noname 0.0309 18 C14 -5.4014 -1.3717 7.1160 C.2 1 noname 0.0454 19 C15 -3.3908 -4.9317 6.9784 C.1 1 noname -0.0101 20 C16 -5.3260 -3.7489 7.3233 C.2 1 noname 0.0370 21 N3 4.7670 0.8632 7.6259 N.2 1 noname -0.2370 22 N4 3.1824 1.6801 6.3055 N.3 1 noname -0.0398 23 N5 -5.9971 -2.5675 7.3714 N.2 1 noname -0.2309 24 C17 -2.7320 -5.9244 6.9201 C.1 1 noname -0.0269 25 C18 -6.0240 -4.9999 7.6052 C.3 1 noname 0.0467 26 C19 4.2932 1.9920 8.1760 C.2 1 noname 0.0038 27 C20 3.2949 2.5139 7.3496 C.2 1 noname -0.0664 28 C21 -1.9890 -6.9985 6.8529 C.2 1 noname -0.0258 29 C22 -7.1655 -5.1840 6.6032 C.3 1 noname -0.0597 30 C23 2.5231 3.7319 7.5787 C.3 1 noname 0.0170 31 C24 -0.7440 -7.0773 7.5485 C.2 1 noname 0.0129 32 C25 -2.4875 -8.1102 6.1090 C.2 1 noname -0.0243 33 N6 -0.0821 -8.2818 7.4520 N.2 1 noname -0.2633 34 C26 -1.7774 -9.3353 6.0338 C.2 1 noname -0.0315 35 C27 -0.5397 -9.3803 6.7433 C.2 1 noname 0.0173 36 N7 0.1913 -10.5032 6.7233 N.3 1 noname -0.1209 37 H1 -1.3458 -4.5072 6.4201 H 1 noname 0.0660 38 H2 0.3857 0.1589 5.7948 H 1 noname 0.0631 39 H3 -2.0110 -0.1799 6.3597 H 1 noname 0.0629 40 H4 4.4093 -1.3524 6.1971 H 1 noname 0.0516 41 H5 4.9055 -0.1965 4.7893 H 1 noname 0.0516 42 H6 3.0125 0.8058 3.4688 H 1 noname 0.0452 43 H7 1.2739 0.2854 3.9893 H 1 noname 0.0452 44 H8 2.5242 2.6733 4.6665 H 1 noname 0.0486 45 H9 1.2457 1.7622 5.7151 H 1 noname 0.0486 46 H10 -5.9708 -0.4434 7.1606 H 1 noname 0.1061 47 H11 -5.2990 -5.7942 7.4279 H 1 noname 0.0329 48 H12 -6.4692 -4.8788 8.5928 H 1 noname 0.0329 49 H13 4.6520 2.4073 9.1178 H 1 noname 0.0856 50 H14 -8.1010 -5.3349 7.1419 H 1 noname 0.0234 51 H15 -7.2461 -4.2955 5.9770 H 1 noname 0.0234 52 H16 -6.9626 -6.0527 5.9770 H 1 noname 0.0234 53 H17 2.4173 3.8988 8.6506 H 1 noname 0.0293 54 H18 3.0397 4.5794 7.1282 H 1 noname 0.0293 55 H19 1.5361 3.6268 7.1282 H 1 noname 0.0293 56 H20 -0.3188 -6.2566 8.1261 H 1 noname 0.0853 57 H21 -3.4381 -8.0209 5.5832 H 1 noname 0.0637 58 H22 -2.1578 -10.1859 5.4683 H 1 noname 0.0656 59 H23 -0.2663 -11.4036 6.7158 H 1 noname 0.1257 60 H24 1.1998 -10.4492 6.7158 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 2 22 16 22 1 23 17 22 1 24 18 23 2 25 19 24 3 26 20 25 1 27 20 23 1 28 21 26 1 29 22 27 1 30 24 28 1 31 25 29 1 32 26 27 2 33 27 30 1 34 28 31 2 35 28 32 1 36 31 33 1 37 32 34 2 38 33 35 2 39 34 35 1 40 35 36 1 41 4 37 1 42 6 38 1 43 10 39 1 44 12 40 1 45 12 41 1 46 13 42 1 47 13 43 1 48 17 44 1 49 17 45 1 50 18 46 1 51 25 47 1 52 25 48 1 53 26 49 1 54 29 50 1 55 29 51 1 56 29 52 1 57 30 53 1 58 30 54 1 59 30 55 1 60 31 56 1 61 32 57 1 62 34 58 1 63 36 59 1 64 36 60 1 @SUBSTRUCTURE 1 noname 1