@MOLECULE 74341292 49 51 1 SMALL USER_CHARGES @ATOM 1 F1 -1.9054 0.2052 2.6724 F 1 noname -0.2483 2 O1 1.2333 0.6965 4.3708 O.3 1 noname -0.2711 3 O2 1.8808 3.4638 -0.6880 O.3 1 noname -0.1966 4 O3 4.4205 3.5173 0.9703 O.2 1 noname -0.2751 5 N1 3.1186 1.5709 1.0803 N.3 1 noname -0.1139 6 N2 0.4939 -0.4141 -0.5968 N.2 1 noname -0.2561 7 C1 3.3340 0.9465 2.3665 C.3 1 noname 0.0386 8 C2 3.1751 1.8720 3.5027 C.2 1 noname -0.0181 9 C3 2.1048 1.1910 0.2078 C.2 1 noname 0.0476 10 C4 2.1115 1.7424 4.4252 C.2 1 noname 0.0083 11 C5 4.1341 2.8891 3.6959 C.2 1 noname -0.0431 12 C6 1.5448 2.1299 -0.7128 C.2 1 noname 0.0460 13 C7 4.0501 2.4180 0.5972 C.2 1 noname 0.1346 14 C8 2.0233 2.6789 5.4744 C.2 1 noname -0.0282 15 C9 1.5324 -0.1080 0.2208 C.2 1 noname 0.0323 16 C10 3.9520 3.9075 4.6203 C.2 1 noname -0.0701 17 C11 2.9169 3.7713 5.5532 C.2 1 noname -0.0515 18 C12 0.4552 1.7891 -1.5229 C.2 1 noname 0.0168 19 C13 4.7420 1.9279 -0.5913 C.3 1 noname 0.0101 20 C14 0.1366 1.0422 3.5377 C.3 1 noname 0.0818 21 C15 -0.0485 0.4893 -1.4451 C.2 1 noname 0.0051 22 C16 1.2267 4.1706 0.3124 C.2 1 noname 0.0035 23 C17 -0.8465 -0.1286 3.4768 C.3 1 noname 0.1133 24 C18 1.5639 5.5343 0.5051 C.2 1 noname -0.0237 25 C19 0.1979 3.6220 1.1375 C.2 1 noname -0.0237 26 C20 0.8601 6.3107 1.4511 C.2 1 noname -0.0506 27 C21 -0.4962 4.3772 2.0664 C.2 1 noname -0.0506 28 C22 -0.1682 5.7289 2.2237 C.2 1 noname -0.0678 29 H1 2.6479 0.1075 2.4825 H 1 noname 0.0491 30 H2 4.3909 0.6802 2.3717 H 1 noname 0.0491 31 H3 5.0111 2.9080 3.1885 H 1 noname 0.0626 32 H4 1.3181 2.5657 6.1869 H 1 noname 0.0650 33 H5 1.9036 -0.8319 0.8390 H 1 noname 0.0857 34 H6 4.6144 4.6995 4.6237 H 1 noname 0.0622 35 H7 2.8728 4.4477 6.3142 H 1 noname 0.0623 36 H8 -0.0103 2.5113 -2.0769 H 1 noname 0.0667 37 H9 4.5784 2.6193 -1.4180 H 1 noname 0.0324 38 H10 4.3543 0.9446 -0.8578 H 1 noname 0.0324 39 H11 5.8098 1.8538 -0.3855 H 1 noname 0.0324 40 H12 -0.3671 1.9187 3.9452 H 1 noname 0.0599 41 H13 0.4988 1.2651 2.5341 H 1 noname 0.0599 42 H14 -0.8305 0.2134 -2.0316 H 1 noname 0.0840 43 H15 -1.2087 -0.3515 4.4804 H 1 noname 0.0648 44 H16 -0.3428 -1.0051 3.0693 H 1 noname 0.0648 45 H17 2.3109 5.9758 -0.0529 H 1 noname 0.0650 46 H18 -0.0969 2.6488 1.0754 H 1 noname 0.0650 47 H19 1.0837 7.2995 1.5800 H 1 noname 0.0623 48 H20 -1.2365 3.9167 2.6051 H 1 noname 0.0623 49 H21 -0.6866 6.2730 2.9045 H 1 noname 0.0622 @BOND 1 1 23 1 2 2 10 1 3 2 20 1 4 3 12 1 5 3 22 1 6 4 13 2 7 5 7 1 8 5 9 1 9 5 13 1 10 6 15 2 11 6 21 1 12 7 8 1 13 7 29 1 14 7 30 1 15 8 10 1 16 8 11 2 17 9 12 2 18 9 15 1 19 10 14 2 20 11 16 1 21 11 31 1 22 12 18 1 23 13 19 1 24 14 17 1 25 14 32 1 26 15 33 1 27 16 17 2 28 16 34 1 29 17 35 1 30 18 21 2 31 18 36 1 32 19 37 1 33 19 38 1 34 19 39 1 35 20 23 1 36 20 40 1 37 20 41 1 38 21 42 1 39 22 24 2 40 22 25 1 41 23 43 1 42 23 44 1 43 24 26 1 44 24 45 1 45 25 27 2 46 25 46 1 47 26 28 2 48 26 47 1 49 27 28 1 50 27 48 1 51 28 49 1 @SUBSTRUCTURE 1 noname 1