@MOLECULE 70914230 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 3.0619 -2.7893 -0.9796 F 1 noname -0.1633 2 O1 4.4227 0.0023 0.8852 O.3 1 noname -0.3926 3 O2 6.5302 5.3000 0.8642 O.3 1 noname -0.3930 4 N1 1.2421 1.1199 -0.4954 N.3 1 noname -0.0280 5 N2 0.1162 2.8287 0.1931 N.2 1 noname -0.2385 6 C1 5.7062 1.5061 -0.5916 C.3 1 noname -0.0150 7 C2 4.3088 0.9974 -0.1243 C.3 1 noname 0.0590 8 C3 6.6549 1.8432 0.6208 C.3 1 noname -0.0455 9 C4 5.5590 2.6774 -1.6466 C.3 1 noname -0.0455 10 C5 3.5067 0.3914 -1.3091 C.3 1 noname -0.0033 11 C6 2.0178 0.0579 -1.0750 C.3 1 noname 0.0083 12 C7 7.5495 3.1048 0.5263 C.3 1 noname -0.0266 13 C8 5.5883 4.1075 -1.0438 C.3 1 noname -0.0266 14 C9 6.8423 4.3415 -0.1359 C.3 1 noname 0.0541 15 C10 1.8808 -0.9616 -0.0026 C.2 1 noname 0.0229 16 C11 0.7938 0.8570 0.7262 C.2 1 noname -0.0472 17 C12 1.1584 -0.4265 1.1033 C.2 1 noname -0.0154 18 C13 0.8235 2.3510 -0.8557 C.2 1 noname -0.0453 19 C14 2.3918 -2.2997 0.0223 C.2 1 noname 0.0288 20 C15 0.0703 1.9384 1.2073 C.2 1 noname 0.0216 21 C16 0.8843 -1.1943 2.2722 C.2 1 noname -0.0435 22 C17 2.1344 -3.0690 1.1897 C.2 1 noname -0.0056 23 C18 1.3912 -2.5279 2.2873 C.2 1 noname -0.0469 24 H1 6.2018 0.6591 -1.0917 H 1 noname 0.0329 25 H2 3.7444 1.8251 0.3007 H 1 noname 0.0603 26 H3 6.0705 1.8802 1.5401 H 1 noname 0.0271 27 H4 7.3050 0.9839 0.7857 H 1 noname 0.0271 28 H5 4.6386 2.5413 -2.2145 H 1 noname 0.0271 29 H6 6.4344 2.6083 -2.2924 H 1 noname 0.0271 30 H7 3.6013 1.0389 -2.1808 H 1 noname 0.0316 31 H8 4.0118 -0.5200 -1.6290 H 1 noname 0.0316 32 H9 1.5535 -0.2942 -2.0110 H 1 noname 0.0562 33 H10 7.9002 3.3769 1.5219 H 1 noname 0.0293 34 H11 8.3787 2.8411 -0.1302 H 1 noname 0.0293 35 H12 4.6820 4.2751 -0.4619 H 1 noname 0.0293 36 H13 5.5522 4.8532 -1.8380 H 1 noname 0.0293 37 H14 7.6140 4.7919 -0.7601 H 1 noname 0.0600 38 H15 4.9280 -0.7612 0.5358 H 1 noname 0.2104 39 H16 1.0041 2.8255 -1.7404 H 1 noname 0.1015 40 H17 5.9311 4.8973 1.5270 H 1 noname 0.2104 41 H18 -0.3881 2.0375 2.1130 H 1 noname 0.0860 42 H19 0.3547 -0.8114 3.0553 H 1 noname 0.0629 43 H20 2.4860 -4.0247 1.2465 H 1 noname 0.0653 44 H21 1.2189 -3.1134 3.1045 H 1 noname 0.0623 @BOND 1 1 19 1 2 7 2 1 3 2 38 1 4 3 14 1 5 3 40 1 6 4 11 1 7 4 16 1 8 4 18 1 9 5 18 2 10 5 20 1 11 6 7 1 12 6 8 1 13 6 9 1 14 6 24 1 15 7 10 1 16 7 25 1 17 8 12 1 18 8 26 1 19 8 27 1 20 9 13 1 21 9 28 1 22 9 29 1 23 11 10 1 24 10 30 1 25 10 31 1 26 11 15 1 27 11 32 1 28 12 14 1 29 12 33 1 30 12 34 1 31 13 14 1 32 13 35 1 33 13 36 1 34 14 37 1 35 15 17 2 36 15 19 1 37 16 17 1 38 16 20 2 39 17 21 1 40 18 39 1 41 19 22 2 42 20 41 1 43 21 23 2 44 21 42 1 45 22 23 1 46 22 43 1 47 23 44 1 @SUBSTRUCTURE 1 noname 1