@MOLECULE 116058 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -4.2536 -9.0230 1.4636 F 1 noname -0.1548 2 C1 -2.9957 -8.7866 1.6969 C.2 1 noname 0.0796 3 C2 -2.5141 -8.4399 2.9970 C.2 1 noname 0.0913 4 C3 -2.0111 -8.8561 0.6772 C.2 1 noname 0.0265 5 C4 -1.1275 -8.2307 3.3013 C.2 1 noname 0.0796 6 C5 -3.5862 -8.2396 3.9875 C.2 1 noname 0.0481 7 C6 -0.6007 -8.5977 0.9193 C.2 1 noname 0.0121 8 F2 -0.7463 -7.9793 4.5195 F 1 noname -0.1548 9 C7 -0.1871 -8.3028 2.2545 C.2 1 noname 0.0265 10 O1 -4.7856 -8.3086 3.6424 O.2 1 noname -0.2877 11 N1 -3.2300 -7.9571 5.3885 N.3 1 noname -0.0602 12 C8 0.4209 -8.6401 -0.1156 C.2 1 noname 0.0478 13 C9 -4.0492 -8.6543 6.4152 C.3 1 noname 0.0218 14 C10 -2.3372 -6.8189 5.8019 C.3 1 noname 0.0190 15 N2 1.7311 -8.3262 0.2322 N.2 1 noname -0.2213 16 C11 0.1898 -8.9997 -1.4893 C.2 1 noname 0.0415 17 C12 -3.0060 -9.2036 7.4179 C.3 1 noname 0.0230 18 C13 -1.2881 -7.4641 6.7543 C.3 1 noname 0.0119 19 C14 2.7783 -8.3515 -0.6396 C.2 1 noname 0.0456 20 C15 -0.9616 -9.3180 -1.9884 C.1 1 noname -0.0099 21 C16 1.2803 -9.0237 -2.3780 C.2 1 noname 0.0371 22 N3 -2.0829 -8.1169 7.8303 N.3 1 noname -0.2977 23 C17 -3.5871 -9.6525 8.7478 C.3 1 noname -0.0351 24 N4 2.5255 -8.7038 -1.9293 N.2 1 noname -0.2300 25 C18 -2.0801 -9.5826 -2.3118 C.1 1 noname -0.0268 26 C19 1.0775 -9.3904 -3.7765 C.3 1 noname 0.0467 27 C20 -1.3025 -8.7345 8.8943 C.3 1 noname -0.0013 28 C21 -2.3524 -9.5617 9.6569 C.3 1 noname -0.0389 29 C22 -3.3138 -9.8613 -2.6467 C.2 1 noname -0.0250 30 C23 1.9164 -10.6265 -4.1065 C.3 1 noname -0.0597 31 C24 -4.2291 -8.8018 -2.9064 C.2 1 noname 0.0133 32 C25 -3.7006 -11.2248 -2.8112 C.2 1 noname -0.0239 33 N5 -5.4818 -9.1822 -3.3251 N.2 1 noname -0.2618 34 C26 -5.0017 -11.5795 -3.2448 C.2 1 noname -0.0301 35 C27 -5.8900 -10.4931 -3.5004 C.2 1 noname 0.0185 36 N6 -7.1385 -10.7454 -3.9165 N.3 1 noname -0.1129 37 C28 -7.3441 -10.1465 -5.1763 C.3 1 noname -0.0101 38 H1 -2.3494 -9.1166 -0.3257 H 1 noname 0.0660 39 H2 0.8655 -8.1297 2.4786 H 1 noname 0.0660 40 H3 -4.6496 -7.8975 6.9199 H 1 noname 0.0452 41 H4 -4.5353 -9.4975 5.9244 H 1 noname 0.0452 42 H5 -1.8200 -6.4727 4.9071 H 1 noname 0.0449 43 H6 -2.9457 -6.1255 6.3824 H 1 noname 0.0449 44 H7 -2.5176 -10.0306 6.9025 H 1 noname 0.0480 45 H8 -0.7750 -8.2583 6.2120 H 1 noname 0.0444 46 H9 -0.7137 -6.6654 7.2235 H 1 noname 0.0444 47 H10 3.7875 -8.0978 -0.3152 H 1 noname 0.1061 48 H11 -4.3151 -8.9092 9.0728 H 1 noname 0.0283 49 H12 -3.8790 -10.6989 8.6592 H 1 noname 0.0283 50 H13 0.0280 -9.6719 -3.8635 H 1 noname 0.0329 51 H14 1.4694 -8.5601 -4.3640 H 1 noname 0.0329 52 H15 -0.5914 -9.4131 8.4232 H 1 noname 0.0430 53 H16 -0.9449 -7.9336 9.5414 H 1 noname 0.0430 54 H17 -2.6399 -8.9899 10.5392 H 1 noname 0.0280 55 H18 -1.9551 -10.5708 9.7671 H 1 noname 0.0280 56 H19 2.2401 -11.1035 -3.1814 H 1 noname 0.0234 57 H20 1.3170 -11.3282 -4.6866 H 1 noname 0.0234 58 H21 2.7898 -10.3286 -4.6866 H 1 noname 0.0234 59 H22 -3.9818 -7.7466 -2.7898 H 1 noname 0.0853 60 H23 -2.9825 -12.0171 -2.5998 H 1 noname 0.0637 61 H24 -5.2999 -12.6200 -3.3734 H 1 noname 0.0656 62 H25 -7.8015 -11.2866 -3.3802 H 1 noname 0.1292 63 H26 -7.4674 -10.9225 -5.9318 H 1 noname 0.0396 64 H27 -8.2403 -9.5270 -5.1422 H 1 noname 0.0396 65 H28 -6.4836 -9.5270 -5.4289 H 1 noname 0.0396 @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 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 17 13 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 17 23 1 24 18 22 1 25 19 24 2 26 20 25 3 27 21 26 1 28 21 24 1 29 22 27 1 30 23 28 1 31 25 29 1 32 26 30 1 33 27 28 1 34 29 31 2 35 29 32 1 36 31 33 1 37 32 34 2 38 33 35 2 39 34 35 1 40 35 36 1 41 36 37 1 42 4 38 1 43 9 39 1 44 13 40 1 45 13 41 1 46 14 42 1 47 14 43 1 48 17 44 1 49 18 45 1 50 18 46 1 51 19 47 1 52 23 48 1 53 23 49 1 54 26 50 1 55 26 51 1 56 27 52 1 57 27 53 1 58 28 54 1 59 28 55 1 60 30 56 1 61 30 57 1 62 30 58 1 63 31 59 1 64 32 60 1 65 34 61 1 66 36 62 1 67 37 63 1 68 37 64 1 69 37 65 1 @SUBSTRUCTURE 1 noname 1