@MOLECULE 50341070 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 3.8686 -2.5826 6.2546 F 1 noname -0.1696 2 C1 3.7374 -3.2193 5.0475 C.3 1 noname 0.4012 3 F2 2.4745 -3.7421 4.9415 F 1 noname -0.1696 4 F3 4.6593 -4.2304 4.9616 F 1 noname -0.1696 5 C2 3.9716 -2.2179 3.9147 C.3 1 noname 0.0990 6 N1 3.8367 -2.8727 2.6732 N.3 1 noname -0.0605 7 C3 4.0418 -1.9957 1.6811 C.2 1 noname 0.0997 8 N2 3.0119 -1.3041 1.1746 N.2 1 noname -0.2027 9 N3 5.2769 -1.8103 1.1954 N.2 1 noname -0.2355 10 C4 3.2170 -0.4271 0.1824 C.2 1 noname 0.1096 11 C5 5.4820 -0.9333 0.2032 C.2 1 noname 0.0668 12 N4 4.4520 -0.2417 -0.3033 N.2 1 noname -0.2280 13 N5 2.1871 0.2645 -0.3241 N.3 1 noname -0.0012 14 C6 1.0703 0.6423 0.3344 C.2 1 noname 0.0107 15 C7 2.0674 0.7161 -1.5880 C.2 1 noname -0.0681 16 N6 0.2351 1.3229 -0.4818 N.2 1 noname -0.2338 17 N7 0.8231 0.3778 1.6245 N.3 1 noname 0.0147 18 C8 0.8116 1.3465 -1.6972 C.2 1 noname 0.0067 19 C9 2.9578 0.5918 -2.6971 C.2 1 noname -0.0358 20 C10 0.6724 1.5280 2.2953 C.2 1 noname -0.0217 21 C11 0.3220 1.8523 -2.9428 C.2 1 noname -0.0099 22 C12 2.4993 1.1273 -3.9362 C.2 1 noname -0.0472 23 C13 0.4065 1.5072 3.6595 C.2 1 noname -0.0286 24 C14 0.7818 2.7419 1.6270 C.2 1 noname -0.0679 25 C15 1.1980 1.7276 -4.0607 C.2 1 noname -0.0437 26 C16 0.2502 2.7003 4.3554 C.2 1 noname -0.0033 27 C17 0.6254 3.9349 2.3228 C.2 1 noname -0.0534 28 O1 -0.0080 2.6802 5.6803 O.3 1 noname -0.2855 29 C18 0.3596 3.9142 3.6870 C.2 1 noname -0.0528 30 H1 3.1687 -1.4812 3.9410 H 1 noname 0.0527 31 H2 5.0111 -1.8929 3.9580 H 1 noname 0.0527 32 H3 3.6205 -3.8465 2.5148 H 1 noname 0.1315 33 H4 6.4866 -0.7825 -0.1918 H 1 noname 0.1064 34 H5 0.7602 -0.5456 2.0288 H 1 noname 0.1370 35 H6 3.9333 0.1147 -2.6031 H 1 noname 0.0643 36 H7 -0.6641 2.3075 -3.0350 H 1 noname 0.0645 37 H8 3.1560 1.0767 -4.8047 H 1 noname 0.0623 38 H9 0.3207 0.5554 4.1836 H 1 noname 0.0666 39 H10 0.9903 2.7581 0.5572 H 1 noname 0.0639 40 H11 0.8661 2.0989 -5.0303 H 1 noname 0.0623 41 H12 0.7113 4.8868 1.7987 H 1 noname 0.0624 42 H13 -0.0666 1.7704 5.9811 H 1 noname 0.2181 43 H14 0.2370 4.8498 4.2327 H 1 noname 0.0650 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 8 10 1 10 9 11 2 11 10 12 2 12 10 13 1 13 11 12 1 14 13 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 2 19 15 19 1 20 16 18 1 21 17 20 1 22 18 21 1 23 19 22 2 24 20 23 2 25 20 24 1 26 21 25 2 27 22 25 1 28 23 26 1 29 24 27 2 30 26 28 1 31 26 29 2 32 27 29 1 33 5 30 1 34 5 31 1 35 6 32 1 36 11 33 1 37 17 34 1 38 19 35 1 39 21 36 1 40 22 37 1 41 23 38 1 42 24 39 1 43 25 40 1 44 27 41 1 45 28 42 1 46 29 43 1 @SUBSTRUCTURE 1 noname 1