@MOLECULE 73425503 50 52 1 SMALL USER_CHARGES @ATOM 1 F1 -4.5188 4.3533 0.3056 F 1 noname -0.1636 2 O1 -0.7983 -6.4664 1.4621 O.3 1 noname -0.1956 3 O2 -0.3589 0.0419 -1.8260 O.2 1 noname -0.2968 4 O3 -0.1652 -6.8203 3.5943 O.2 1 noname -0.2543 5 N1 -1.2275 -3.7622 0.7183 N.3 1 noname -0.3002 6 N2 1.3549 -5.9549 2.1895 N.3 1 noname -0.0480 7 C1 -0.7025 -0.8389 0.4506 C.3 1 noname 0.0247 8 C2 0.4293 -1.8634 0.1372 C.3 1 noname -0.0302 9 C3 -2.0605 -1.3751 1.0230 C.3 1 noname -0.0302 10 C4 0.1972 -3.2917 0.6975 C.3 1 noname -0.0010 11 C5 -2.3817 -2.8213 0.5974 C.3 1 noname -0.0010 12 C6 -1.3922 -4.8602 -0.2329 C.3 1 noname 0.0295 13 C7 -0.9209 0.1736 -0.7172 C.2 1 noname 0.0933 14 C8 -0.4678 -6.0155 0.1568 C.3 1 noname 0.1063 15 C9 -1.8380 1.3019 -0.4261 C.2 1 noname -0.0218 16 C10 -0.6323 -7.1119 -0.7931 C.2 1 noname -0.0415 17 C11 -1.7913 2.0102 0.8359 C.2 1 noname -0.0016 18 C12 -2.8015 1.6444 -1.4275 C.2 1 noname -0.0016 19 C13 0.1087 -8.2784 -0.6432 C.2 1 noname -0.0484 20 C14 -1.5298 -6.9894 -1.8474 C.2 1 noname -0.0484 21 C15 0.1257 -6.4233 2.4453 C.2 1 noname 0.0451 22 C16 -2.7267 3.0423 1.0908 C.2 1 noname 0.0044 23 C17 -3.7253 2.7038 -1.1825 C.2 1 noname 0.0044 24 C18 -0.0478 -9.3223 -1.5475 C.2 1 noname -0.0582 25 C19 -1.6863 -8.0333 -2.7517 C.2 1 noname -0.0582 26 C20 -3.6759 3.3889 0.0777 C.2 1 noname 0.0409 27 C21 -0.9453 -9.1998 -2.6018 C.2 1 noname -0.0610 28 H1 -0.3917 -0.2223 1.2941 H 1 noname 0.0387 29 H2 0.5831 -1.9165 -0.9406 H 1 noname 0.0287 30 H3 1.3761 -1.4790 0.5165 H 1 noname 0.0287 31 H4 -2.8713 -0.7163 0.7121 H 1 noname 0.0287 32 H5 -1.9507 -1.3920 2.1073 H 1 noname 0.0287 33 H6 0.6175 -3.3612 1.7008 H 1 noname 0.0430 34 H7 0.7847 -3.9782 0.0878 H 1 noname 0.0430 35 H8 -3.2190 -3.1958 1.1863 H 1 noname 0.0430 36 H9 -2.6521 -2.8062 -0.4584 H 1 noname 0.0430 37 H10 -2.4271 -5.2019 -0.2177 H 1 noname 0.0461 38 H11 -1.1385 -4.5140 -1.2348 H 1 noname 0.0461 39 H12 0.5671 -5.6737 0.1417 H 1 noname 0.0675 40 H13 -1.0901 1.7676 1.5358 H 1 noname 0.0631 41 H14 -2.8276 1.1345 -2.3106 H 1 noname 0.0631 42 H15 0.7674 -8.3683 0.1305 H 1 noname 0.0626 43 H16 -2.0736 -6.1335 -1.9574 H 1 noname 0.0626 44 H17 -2.7238 3.5325 1.9853 H 1 noname 0.0653 45 H18 -4.4092 2.9698 -1.8909 H 1 noname 0.0653 46 H19 0.4960 -10.1782 -1.4375 H 1 noname 0.0622 47 H20 -2.3449 -7.9434 -3.5254 H 1 noname 0.0622 48 H21 -1.0602 -9.9658 -3.2654 H 1 noname 0.0622 49 H22 2.0189 -5.9239 2.8959 H 1 noname 0.1295 50 H23 1.5806 -5.6469 1.2978 H 1 noname 0.1295 @BOND 1 1 26 1 2 14 2 1 3 2 21 1 4 3 13 2 5 4 21 2 6 5 10 1 7 5 11 1 8 5 12 1 9 6 21 1 10 6 49 1 11 6 50 1 12 7 8 1 13 7 9 1 14 7 13 1 15 7 28 1 16 8 10 1 17 8 29 1 18 8 30 1 19 9 11 1 20 9 31 1 21 9 32 1 22 10 33 1 23 10 34 1 24 11 35 1 25 11 36 1 26 12 14 1 27 12 37 1 28 12 38 1 29 13 15 1 30 14 16 1 31 14 39 1 32 15 17 2 33 15 18 1 34 16 19 2 35 16 20 1 36 17 22 1 37 17 40 1 38 18 23 2 39 18 41 1 40 19 24 1 41 19 42 1 42 20 25 2 43 20 43 1 44 22 26 2 45 22 44 1 46 23 26 1 47 23 45 1 48 24 27 2 49 24 46 1 50 25 27 1 51 25 47 1 52 27 48 1 @SUBSTRUCTURE 1 noname 1