@MOLECULE DB07528 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 10.4242 5.0147 -0.8475 F 1 noname -0.1661 2 C1 9.7118 5.1484 0.3162 C.3 1 noname 0.4161 3 F2 10.0533 4.1396 1.1796 F 1 noname -0.1661 4 F3 9.9992 6.3592 0.8915 F 1 noname -0.1661 5 C2 8.2833 5.0756 0.0234 C.2 1 noname -0.0011 6 C3 7.6324 3.8475 0.0389 C.2 1 noname 0.0031 7 C4 7.5742 6.2344 -0.2709 C.2 1 noname -0.0244 8 C5 6.2724 3.7782 -0.2398 C.2 1 noname -0.0084 9 C6 6.2142 6.1651 -0.5496 C.2 1 noname -0.0433 10 N1 5.6448 2.5944 -0.2249 N.3 1 noname -0.1238 11 C7 5.5633 4.9370 -0.5341 C.2 1 noname -0.0287 12 C8 4.3171 2.5678 0.1202 C.2 1 noname 0.1070 13 C9 6.3676 1.4695 -0.5568 C.2 1 noname -0.0157 14 O1 3.7321 3.6342 0.4086 O.2 1 noname -0.2720 15 C10 3.5917 1.3280 0.1538 C.2 1 noname 0.0412 16 C11 5.7653 0.1889 -0.5607 C.2 1 noname -0.0269 17 C12 2.1755 1.2587 0.5167 C.2 1 noname -0.0289 18 C13 4.3914 0.1676 -0.2029 C.2 1 noname -0.0055 19 C14 1.5168 -0.0092 0.5292 C.2 1 noname -0.0119 20 C15 1.3993 2.4231 0.8677 C.2 1 noname -0.0196 21 C16 3.7247 -1.1313 -0.1921 C.3 1 noname -0.0389 22 C17 0.1548 -0.0884 0.8766 C.2 1 noname -0.0270 23 C18 0.0320 2.3990 1.2234 C.2 1 noname -0.0027 24 C19 -0.5718 1.1170 1.2197 C.2 1 noname 0.0488 25 C20 -0.5418 -1.3080 0.9052 C.2 1 noname 0.0220 26 N2 -1.8954 1.0575 1.5596 N.2 1 noname -0.2306 27 N3 -1.8602 -1.2846 1.2541 N.2 1 noname -0.2434 28 C21 -2.5508 -0.1441 1.5796 C.2 1 noname 0.0858 29 N4 -3.8475 -0.2058 1.9121 N.3 1 noname -0.0802 30 H1 8.1884 2.9389 0.2697 H 1 noname 0.0645 31 H2 8.0847 7.1974 -0.2830 H 1 noname 0.0628 32 H3 5.6582 7.0737 -0.7804 H 1 noname 0.0623 33 H4 4.4968 4.8827 -0.7527 H 1 noname 0.0639 34 H5 7.4188 1.5932 -0.8170 H 1 noname 0.0760 35 H6 6.3184 -0.7139 -0.8200 H 1 noname 0.0636 36 H7 2.0562 -0.9210 0.2723 H 1 noname 0.0636 37 H8 1.8846 3.3991 0.8637 H 1 noname 0.0629 38 H9 3.5622 -1.4478 0.8382 H 1 noname 0.0280 39 H10 2.7653 -1.0514 -0.7033 H 1 noname 0.0280 40 H11 4.3488 -1.8643 -0.7033 H 1 noname 0.0280 41 H12 -0.5175 3.3041 1.4821 H 1 noname 0.0645 42 H13 -0.0665 -2.2579 0.6603 H 1 noname 0.0847 43 H14 -4.3777 0.6446 2.0374 H 1 noname 0.1273 44 H15 -4.2945 -1.1028 2.0374 H 1 noname 0.1273 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 2 15 12 15 1 16 13 16 2 17 15 17 1 18 15 18 2 19 16 18 1 20 17 19 2 21 17 20 1 22 18 21 1 23 19 22 1 24 20 23 2 25 22 24 1 26 22 25 2 27 23 24 1 28 24 26 2 29 25 27 1 30 26 28 1 31 27 28 2 32 28 29 1 33 6 30 1 34 7 31 1 35 9 32 1 36 11 33 1 37 13 34 1 38 16 35 1 39 19 36 1 40 20 37 1 41 21 38 1 42 21 39 1 43 21 40 1 44 23 41 1 45 25 42 1 46 29 43 1 47 29 44 1 @SUBSTRUCTURE 1 noname 1