@MOLECULE 59511063 32 33 1 SMALL USER_CHARGES @ATOM 1 F1 5.6196 8.2211 0.7124 F 1 noname -0.2487 2 O1 1.3796 6.6019 2.2038 O.3 1 noname -0.3941 3 O2 -0.1645 3.0150 -5.4554 O.3 1 noname -0.2141 4 O3 1.6605 3.7311 -5.1445 O.2 1 noname -0.2415 5 N1 3.3790 6.6390 0.2294 N.3 1 noname 0.0082 6 N2 1.1368 4.0935 -2.5188 N.3 1 noname 0.0032 7 N3 4.2178 5.7059 -0.1103 N.2 1 noname -0.2142 8 N4 3.8634 5.1367 -1.2126 N.2 1 noname -0.1509 9 N5 -0.2228 2.4528 -3.0100 N.2 1 noname -0.1980 10 N6 0.5571 3.8026 -4.7777 N.2 1 noname -0.1702 11 C1 3.4848 7.4404 1.3847 C.3 1 noname 0.0170 12 C2 1.9686 5.2451 -2.7466 C.3 1 noname 0.0356 13 C3 2.7348 5.7340 -1.5975 C.2 1 noname 0.0670 14 C4 2.3972 6.7274 -0.6818 C.2 1 noname -0.0418 15 C5 2.7488 6.7645 2.5433 C.3 1 noname 0.0664 16 C6 4.9600 7.6155 1.7506 C.3 1 noname 0.1122 17 C7 0.4956 3.4726 -3.5166 C.2 1 noname 0.0402 18 C8 0.8391 3.4425 -1.3775 C.2 1 noname -0.0739 19 C9 -0.0362 2.4051 -1.6879 C.2 1 noname 0.0182 20 H1 3.0399 8.4166 1.1918 H 1 noname 0.0578 21 H2 1.3633 6.0562 -3.1513 H 1 noname 0.0542 22 H3 2.6474 4.9233 -3.5364 H 1 noname 0.0542 23 H4 1.6008 7.3645 -0.6991 H 1 noname 0.0830 24 H5 2.8306 7.3839 3.4365 H 1 noname 0.0584 25 H6 3.1936 5.7883 2.7363 H 1 noname 0.0584 26 H7 5.0418 8.2350 2.6437 H 1 noname 0.0645 27 H8 5.4049 6.6393 1.9435 H 1 noname 0.0645 28 H9 1.1931 3.6698 -0.4483 H 1 noname 0.0809 29 H10 -0.4524 1.7407 -1.0354 H 1 noname 0.0854 30 H11 0.9081 6.1690 2.9459 H 1 noname 0.2101 31 H12 -0.1183 3.2629 -6.4024 H 1 noname 0.2598 32 H13 0.2488 4.6787 -4.8859 H 1 noname 0.2808 @BOND 1 1 16 1 2 2 15 1 3 2 30 1 4 3 10 1 5 3 31 1 6 4 10 2 7 5 7 1 8 5 11 1 9 5 14 1 10 6 12 1 11 6 17 1 12 6 18 1 13 7 8 2 14 8 13 1 15 9 17 2 16 9 19 1 17 10 17 1 18 10 32 1 19 11 15 1 20 11 16 1 21 11 20 1 22 12 13 1 23 12 21 1 24 12 22 1 25 13 14 2 26 14 23 1 27 15 24 1 28 15 25 1 29 16 26 1 30 16 27 1 31 18 19 2 32 18 28 1 33 19 29 1 @SUBSTRUCTURE 1 noname 1