@MOLECULE 76961238 45 46 1 SMALL USER_CHARGES @ATOM 1 F1 4.4682 -0.6832 1.3459 F 1 noname -0.1661 2 F2 3.5227 -2.0771 2.8208 F 1 noname -0.1661 3 F3 4.7571 -2.8939 1.1411 F 1 noname -0.1661 4 O1 -2.6890 3.7662 2.5350 O.3 1 noname -0.2067 5 O2 -4.4537 5.1083 2.1384 O.2 1 noname -0.2584 6 N1 -1.4532 1.9671 -0.4353 N.3 1 noname -0.3115 7 C1 -0.3586 1.0178 -0.6308 C.3 1 noname 0.0081 8 C2 -0.5859 -0.2115 0.2513 C.3 1 noname 0.0156 9 C3 0.5071 -1.1595 0.0561 C.2 1 noname -0.0472 10 C4 -0.3106 0.5901 -2.0990 C.3 1 noname -0.0494 11 C5 -1.4990 2.3758 0.9677 C.3 1 noname 0.0197 12 C6 1.6427 -1.0850 0.8543 C.2 1 noname -0.0290 13 C7 0.4123 -2.1365 -0.9281 C.2 1 noname -0.0609 14 C8 -2.6445 3.3692 1.1723 C.3 1 noname 0.0692 15 C9 2.6833 -1.9875 0.6684 C.2 1 noname -0.0112 16 C10 1.4530 -3.0390 -1.1140 C.2 1 noname -0.0533 17 C11 2.5885 -2.9645 -0.3157 C.2 1 noname -0.0337 18 C12 3.8760 -1.9092 1.5068 C.3 1 noname 0.4161 19 C13 -3.6256 4.6445 2.9519 C.2 1 noname 0.0874 20 C14 -3.6692 5.0331 4.2858 C.2 1 noname -0.0033 21 C15 -4.6336 5.9374 4.7151 C.2 1 noname -0.0060 22 C16 -2.7484 4.5173 5.1904 C.2 1 noname -0.0060 23 C17 -4.6771 6.3260 6.0489 C.2 1 noname -0.0428 24 C18 -2.7920 4.9059 6.5242 C.2 1 noname -0.0428 25 C19 -3.7564 5.8102 6.9535 C.2 1 noname -0.0356 26 H1 0.5852 1.4905 -0.3590 H 1 noname 0.0465 27 H2 -1.5297 -0.6842 -0.0204 H 1 noname 0.0332 28 H3 -0.6201 0.0932 1.2973 H 1 noname 0.0332 29 H4 -1.3013 2.7882 -1.0245 H 1 noname 0.1225 30 H5 0.5054 -0.1177 -2.2448 H 1 noname 0.0246 31 H6 -1.2544 0.1173 -2.3708 H 1 noname 0.0246 32 H7 -0.1487 1.4658 -2.7275 H 1 noname 0.0246 33 H8 -1.6610 1.5000 1.5962 H 1 noname 0.0452 34 H9 -0.5552 2.8485 1.2395 H 1 noname 0.0452 35 H10 1.7123 -0.3680 1.5765 H 1 noname 0.0631 36 H11 -0.4210 -2.1912 -1.5138 H 1 noname 0.0625 37 H12 -3.5883 2.8965 0.9006 H 1 noname 0.0586 38 H13 -2.4826 4.2449 0.5439 H 1 noname 0.0586 39 H14 1.3834 -3.7560 -1.8361 H 1 noname 0.0622 40 H15 3.3521 -3.6268 -0.4521 H 1 noname 0.0628 41 H16 -5.3092 6.3159 4.0513 H 1 noname 0.0631 42 H17 -2.0408 3.8537 4.8754 H 1 noname 0.0631 43 H18 -5.3848 6.9896 6.3640 H 1 noname 0.0622 44 H19 -2.1164 4.5274 7.1880 H 1 noname 0.0622 45 H20 -3.7884 6.0954 7.9323 H 1 noname 0.0622 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 14 1 5 4 19 1 6 5 19 2 7 7 6 1 8 6 11 1 9 6 29 1 10 7 8 1 11 7 10 1 12 7 26 1 13 8 9 1 14 8 27 1 15 8 28 1 16 9 12 2 17 9 13 1 18 10 30 1 19 10 31 1 20 10 32 1 21 11 14 1 22 11 33 1 23 11 34 1 24 12 15 1 25 12 35 1 26 13 16 2 27 13 36 1 28 14 37 1 29 14 38 1 30 15 17 2 31 15 18 1 32 16 17 1 33 16 39 1 34 17 40 1 35 19 20 1 36 20 21 2 37 20 22 1 38 21 23 1 39 21 41 1 40 22 24 2 41 22 42 1 42 23 25 2 43 23 43 1 44 24 25 1 45 24 44 1 46 25 45 1 @SUBSTRUCTURE 1 noname 1