@MOLECULE 119025896 63 67 1 SMALL USER_CHARGES @ATOM 1 F1 1.2422 -0.8678 -1.3061 F 1 noname -0.2395 2 F2 -2.8088 -5.0819 -5.4430 F 1 noname -0.2424 3 O1 -0.4296 -2.7850 -3.7639 O.3 1 noname -0.3327 4 O2 -2.5183 -1.7736 -4.1967 O.3 1 noname -0.3436 5 O3 0.8664 -3.4403 1.2338 O.3 1 noname -0.3896 6 O4 -0.3964 -5.6108 -3.6528 O.2 1 noname -0.2750 7 O5 3.1969 3.1917 2.8188 O.2 1 noname -0.3011 8 C1 -0.9830 -3.3977 -1.4154 C.3 1 noname 0.0124 9 C2 -1.3738 -1.8858 -1.2146 C.3 1 noname -0.0240 10 C3 -0.7608 -1.1837 0.0570 C.3 1 noname 0.0002 11 C4 -1.3857 -3.4977 -2.9471 C.3 1 noname 0.1640 12 C5 0.8342 -1.2631 -0.0312 C.3 1 noname 0.1484 13 C6 -2.8300 -1.8059 -1.7490 C.3 1 noname -0.0194 14 C7 -2.6864 -2.6372 -3.0680 C.3 1 noname 0.0982 15 C8 0.5294 -3.6602 -1.1414 C.3 1 noname -0.0148 16 C9 1.1953 -2.8173 -0.0141 C.3 1 noname 0.0899 17 C10 1.6055 -0.2450 0.9818 C.3 1 noname 0.0262 18 C11 -1.2738 0.2869 0.1312 C.3 1 noname -0.0432 19 C12 -1.7437 -4.3811 -0.4514 C.3 1 noname -0.0559 20 C13 0.7800 0.9647 1.3428 C.2 1 noname -0.0321 21 C14 -0.6585 1.0422 1.3075 C.3 1 noname -0.0305 22 C15 -1.4341 -4.9165 -3.5915 C.2 1 noname 0.1803 23 C16 -1.1364 -1.8390 -4.5883 C.3 1 noname 0.1645 24 C17 3.0129 0.2420 0.4226 C.3 1 noname -0.0337 25 C18 1.9869 -0.9533 2.3114 C.3 1 noname -0.0527 26 C19 3.6379 1.5809 0.9733 C.3 1 noname 0.0111 27 C20 1.3307 2.1281 1.7910 C.2 1 noname 0.0236 28 C21 -2.6913 -5.4342 -4.1233 C.3 1 noname 0.1509 29 C22 -1.0413 -2.2685 -6.0537 C.3 1 noname -0.0107 30 C23 -0.4546 -0.4802 -4.4156 C.3 1 noname -0.0107 31 C24 2.7426 2.3969 1.9676 C.2 1 noname 0.0938 32 H1 -0.8879 -1.2640 -1.9733 H 1 noname 0.0314 33 H2 -1.0972 -1.7012 0.9709 H 1 noname 0.0340 34 H3 -3.4980 -2.3262 -1.0625 H 1 noname 0.0297 35 H4 -3.1925 -0.7893 -1.9014 H 1 noname 0.0297 36 H5 -3.5958 -3.2325 -3.2076 H 1 noname 0.0640 37 H6 0.6837 -4.7206 -0.9416 H 1 noname 0.0301 38 H7 1.0403 -3.3647 -2.0577 H 1 noname 0.0301 39 H8 2.2648 -2.9685 -0.1613 H 1 noname 0.0634 40 H9 -2.3596 0.2886 0.2263 H 1 noname 0.0274 41 H10 -0.9565 0.7811 -0.7871 H 1 noname 0.0274 42 H11 -1.4226 -5.4039 -0.6485 H 1 noname 0.0237 43 H12 -2.8172 -4.2982 -0.6210 H 1 noname 0.0237 44 H13 -1.5183 -4.1224 0.5832 H 1 noname 0.0237 45 H14 -1.0662 0.6548 2.2413 H 1 noname 0.0313 46 H15 -0.9775 2.0843 1.3252 H 1 noname 0.0313 47 H16 2.9785 0.2780 -0.6662 H 1 noname 0.0281 48 H17 3.7325 -0.5557 0.6068 H 1 noname 0.0281 49 H18 2.4996 -0.2475 2.9650 H 1 noname 0.0240 50 H19 1.0835 -1.3137 2.8034 H 1 noname 0.0240 51 H20 2.6453 -1.7955 2.0986 H 1 noname 0.0240 52 H21 1.1049 -4.3902 1.1976 H 1 noname 0.2105 53 H22 3.9262 2.2181 0.1372 H 1 noname 0.0350 54 H23 4.6030 1.3864 1.4412 H 1 noname 0.0350 55 H24 0.7046 2.8607 2.0178 H 1 noname 0.0659 56 H25 -3.5245 -5.0145 -3.5596 H 1 noname 0.0708 57 H26 -2.7033 -6.5206 -4.0348 H 1 noname 0.0708 58 H27 -1.5763 -1.5525 -6.6776 H 1 noname 0.0285 59 H28 -1.4856 -3.2568 -6.1722 H 1 noname 0.0285 60 H29 0.0056 -2.3022 -6.3552 H 1 noname 0.0285 61 H30 -0.9655 0.2630 -5.0278 H 1 noname 0.0285 62 H31 -0.4998 -0.1815 -3.3683 H 1 noname 0.0285 63 H32 0.5871 -0.5541 -4.7278 H 1 noname 0.0285 @BOND 1 12 1 1 2 2 28 1 3 3 11 1 4 3 23 1 5 4 14 1 6 4 23 1 7 16 5 1 8 5 52 1 9 6 22 2 10 7 31 2 11 8 9 1 12 8 11 1 13 8 15 1 14 8 19 1 15 9 10 1 16 9 13 1 17 9 32 1 18 10 12 1 19 10 18 1 20 10 33 1 21 11 14 1 22 11 22 1 23 12 16 1 24 12 17 1 25 13 14 1 26 13 34 1 27 13 35 1 28 14 36 1 29 15 16 1 30 15 37 1 31 15 38 1 32 16 39 1 33 17 20 1 34 17 24 1 35 17 25 1 36 18 21 1 37 18 40 1 38 18 41 1 39 19 42 1 40 19 43 1 41 19 44 1 42 20 21 1 43 20 27 2 44 21 45 1 45 21 46 1 46 22 28 1 47 23 29 1 48 23 30 1 49 24 26 1 50 24 47 1 51 24 48 1 52 25 49 1 53 25 50 1 54 25 51 1 55 26 31 1 56 26 53 1 57 26 54 1 58 27 31 1 59 27 55 1 60 28 56 1 61 28 57 1 62 29 58 1 63 29 59 1 64 29 60 1 65 30 61 1 66 30 62 1 67 30 63 1 @SUBSTRUCTURE 1 noname 1