@MOLECULE 90479083 42 46 1 SMALL USER_CHARGES @ATOM 1 F1 2.5833 -9.5043 0.0943 F 1 noname -0.1661 2 F2 0.4973 -9.9004 -0.6157 F 1 noname -0.1661 3 F3 2.2410 -10.4135 -1.9228 F 1 noname -0.1661 4 O1 0.1973 -1.9705 -3.7222 O.2 1 noname -0.2777 5 O2 3.8727 -3.0567 -6.4832 O.2 1 noname -0.2777 6 O3 1.1452 -3.4121 -2.6098 O.2 1 noname -0.2883 7 N1 1.9087 -3.0155 -5.0741 N.3 1 noname 0.0899 8 N2 1.9543 -4.1937 -4.5508 N.3 1 noname 0.0139 9 C1 1.2434 1.5412 -6.4013 C.3 1 noname -0.0306 10 C2 2.4818 1.1861 -7.3137 C.3 1 noname -0.0306 11 C3 2.3468 2.5887 -6.6768 C.3 1 noname -0.0458 12 C4 1.1909 0.5962 -5.1218 C.3 1 noname -0.0082 13 C5 3.3135 -0.0198 -6.7016 C.3 1 noname -0.0082 14 C6 1.0062 -0.8444 -5.7761 C.3 1 noname 0.0529 15 C7 2.2432 -1.2031 -6.6937 C.3 1 noname 0.0529 16 C8 2.5431 0.6160 -4.4792 C.2 1 noname -0.0840 17 C9 3.6101 0.3064 -5.2710 C.2 1 noname -0.0840 18 C10 0.9468 -1.9606 -4.7226 C.2 1 noname 0.1075 19 C11 2.8098 -2.5090 -6.1190 C.2 1 noname 0.1075 20 C12 1.5586 -4.3800 -3.2842 C.2 1 noname 0.0366 21 C13 1.6077 -5.6495 -2.7203 C.2 1 noname -0.0074 22 C14 1.1972 -5.8428 -1.4064 C.2 1 noname -0.0055 23 C15 2.0674 -6.7258 -3.4702 C.2 1 noname -0.0055 24 C16 1.2464 -7.1123 -0.8425 C.2 1 noname -0.0112 25 C17 2.1166 -7.9953 -2.9063 C.2 1 noname -0.0112 26 C18 1.7061 -8.1886 -1.5925 C.2 1 noname 0.0074 27 C19 1.7577 -9.5220 -1.0001 C.3 1 noname 0.4161 28 H1 0.3116 1.6898 -6.9537 H 1 noname 0.0312 29 H2 2.2520 1.1465 -8.3835 H 1 noname 0.0312 30 H3 1.9964 3.2966 -7.4279 H 1 noname 0.0273 31 H4 3.0175 2.7700 -5.8369 H 1 noname 0.0273 32 H5 0.3692 0.8409 -4.4488 H 1 noname 0.0357 33 H6 4.1945 -0.2693 -7.2928 H 1 noname 0.0357 34 H7 0.0530 -0.9215 -6.2990 H 1 noname 0.0412 35 H8 1.9426 -1.5005 -7.6983 H 1 noname 0.0412 36 H9 2.6578 0.8435 -3.5225 H 1 noname 0.0575 37 H10 4.5346 0.2978 -4.9171 H 1 noname 0.0575 38 H11 2.2751 -4.9448 -5.0741 H 1 noname 0.1520 39 H12 0.8599 -5.0530 -0.8561 H 1 noname 0.0630 40 H13 2.3686 -6.5840 -4.4344 H 1 noname 0.0630 41 H14 0.9452 -7.2541 0.1216 H 1 noname 0.0629 42 H15 2.4539 -8.7851 -3.4567 H 1 noname 0.0629 @BOND 1 1 27 1 2 2 27 1 3 3 27 1 4 4 18 2 5 5 19 2 6 6 20 2 7 7 8 1 8 7 18 1 9 7 19 1 10 8 20 1 11 8 38 1 12 9 10 1 13 9 11 1 14 9 12 1 15 9 28 1 16 10 11 1 17 10 13 1 18 10 29 1 19 11 30 1 20 11 31 1 21 12 14 1 22 12 16 1 23 12 32 1 24 13 15 1 25 13 17 1 26 13 33 1 27 14 15 1 28 14 18 1 29 14 34 1 30 15 19 1 31 15 35 1 32 16 17 2 33 16 36 1 34 17 37 1 35 20 21 1 36 21 22 2 37 21 23 1 38 22 24 1 39 22 39 1 40 23 25 2 41 23 40 1 42 24 26 2 43 24 41 1 44 25 26 1 45 25 42 1 46 26 27 1 @SUBSTRUCTURE 1 noname 1