@MOLECULE 115859 61 64 1 SMALL USER_CHARGES @ATOM 1 F1 3.0840 -1.1240 3.0322 F 1 noname -0.1548 2 C1 1.8271 -0.8001 3.1220 C.2 1 noname 0.0796 3 C2 1.3101 -0.1450 4.2809 C.2 1 noname 0.0913 4 C3 0.9131 -1.0845 2.0695 C.2 1 noname 0.0265 5 C4 -0.0601 0.2120 4.4573 C.2 1 noname 0.0796 6 C5 2.2331 0.3073 5.3369 C.2 1 noname 0.0481 7 C6 -0.4761 -0.7310 2.1836 C.2 1 noname 0.0121 8 F2 -0.4756 0.7800 5.5516 F 1 noname -0.1548 9 C7 -0.9520 -0.0773 3.3912 C.2 1 noname 0.0265 10 O1 2.4315 -0.3805 6.3616 O.2 1 noname -0.2877 11 N1 2.9222 1.6157 5.1389 N.3 1 noname -0.0604 12 C8 -1.4155 -1.0218 1.1187 C.2 1 noname 0.0478 13 C9 3.5232 2.0434 6.4346 C.3 1 noname 0.0189 14 C10 2.2403 2.6837 4.3041 C.3 1 noname 0.0189 15 N2 -2.4996 -0.1747 1.0640 N.2 1 noname -0.2213 16 C11 -1.3377 -2.1016 0.1631 C.2 1 noname 0.0415 17 C12 2.5922 2.9721 7.2820 C.3 1 noname 0.0116 18 C13 1.7198 3.9339 5.0689 C.3 1 noname 0.0116 19 C14 -3.5369 -0.3003 0.1883 C.2 1 noname 0.0456 20 C15 -0.3934 -3.0222 0.0236 C.1 1 noname -0.0100 21 C16 -2.4226 -2.2138 -0.7280 C.2 1 noname 0.0371 22 N3 1.4957 3.6443 6.5109 N.3 1 noname -0.3009 23 N4 -3.4662 -1.3392 -0.6920 N.2 1 noname -0.2300 24 C17 0.4494 -3.8716 -0.1346 C.1 1 noname -0.0269 25 C18 -2.4288 -3.2919 -1.7125 C.3 1 noname 0.0467 26 C19 1.0982 4.8718 7.1985 C.3 1 noname -0.0045 27 C20 1.3894 -4.8005 -0.2949 C.2 1 noname -0.0258 28 C21 -3.6581 -4.1759 -1.4931 C.3 1 noname -0.0597 29 C22 0.5981 4.5302 8.6035 C.3 1 noname -0.0524 30 C23 2.6155 -4.7112 0.4362 C.2 1 noname 0.0129 31 C24 1.2023 -5.9055 -1.1915 C.2 1 noname -0.0243 32 N5 3.5559 -5.7032 0.2338 N.2 1 noname -0.2633 33 C25 2.1876 -6.9183 -1.3844 C.2 1 noname -0.0315 34 C26 3.3832 -6.7694 -0.6272 C.2 1 noname 0.0173 35 N6 4.3587 -7.6796 -0.7516 N.3 1 noname -0.1209 36 H1 1.2798 -1.5769 1.1689 H 1 noname 0.0660 37 H2 -2.0000 0.2019 3.4996 H 1 noname 0.0660 38 H3 3.6507 1.1222 7.0031 H 1 noname 0.0449 39 H4 4.3938 2.6381 6.1581 H 1 noname 0.0449 40 H5 3.0173 3.0496 3.6328 H 1 noname 0.0449 41 H6 1.3547 2.1952 3.8977 H 1 noname 0.0449 42 H7 2.0760 2.3257 7.9919 H 1 noname 0.0444 43 H8 3.2178 3.7883 7.6433 H 1 noname 0.0444 44 H9 2.5143 4.6797 5.0420 H 1 noname 0.0444 45 H10 0.7360 4.1707 4.6635 H 1 noname 0.0444 46 H11 -4.3779 0.3931 0.1916 H 1 noname 0.1061 47 H12 -2.5390 -2.8100 -2.6840 H 1 noname 0.0329 48 H13 -1.5467 -3.8962 -1.5009 H 1 noname 0.0329 49 H14 2.0076 5.4627 7.3077 H 1 noname 0.0427 50 H15 0.2534 5.2704 6.6367 H 1 noname 0.0427 51 H16 -3.8303 -4.2998 -0.4239 H 1 noname 0.0234 52 H17 -4.5295 -3.7064 -1.9495 H 1 noname 0.0234 53 H18 -3.4902 -5.1514 -1.9495 H 1 noname 0.0234 54 H19 0.5562 3.4474 8.7210 H 1 noname 0.0243 55 H20 1.2793 4.9500 9.3437 H 1 noname 0.0243 56 H21 -0.3976 4.9500 8.7468 H 1 noname 0.0243 57 H22 2.8292 -3.9022 1.1347 H 1 noname 0.0853 58 H23 0.2699 -5.9788 -1.7512 H 1 noname 0.0637 59 H24 2.0363 -7.7538 -2.0679 H 1 noname 0.0656 60 H25 4.1296 -8.6622 -0.7985 H 1 noname 0.1257 61 H26 5.3230 -7.3831 -0.7985 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 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 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 24 27 1 30 25 28 1 31 26 29 1 32 27 30 2 33 27 31 1 34 30 32 1 35 31 33 2 36 32 34 2 37 33 34 1 38 34 35 1 39 4 36 1 40 9 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 17 42 1 46 17 43 1 47 18 44 1 48 18 45 1 49 19 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 28 51 1 55 28 52 1 56 28 53 1 57 29 54 1 58 29 55 1 59 29 56 1 60 30 57 1 61 31 58 1 62 33 59 1 63 35 60 1 64 35 61 1 @SUBSTRUCTURE 1 noname 1