@MOLECULE 56966514 42 46 1 SMALL USER_CHARGES @ATOM 1 F1 1.6900 1.1438 -6.7370 F 1 noname -0.1666 2 F2 -2.9340 5.5152 0.0625 F 1 noname -0.1655 3 O1 6.1754 1.6101 -4.2768 O.2 1 noname -0.2870 4 N1 0.5691 0.9446 -2.2230 N.2 1 noname -0.2519 5 N2 4.5237 1.2423 -1.1854 N.3 1 noname -0.0876 6 N3 3.0083 2.2252 1.8318 N.3 1 noname 0.0215 7 N4 5.4035 1.9003 -2.0007 N.3 1 noname -0.0433 8 N5 3.0118 0.1184 1.2525 N.2 1 noname -0.1898 9 N6 3.6293 1.5633 2.7516 N.2 1 noname -0.2517 10 C1 2.2161 1.7272 -0.4911 C.3 1 noname 0.0800 11 C2 0.7310 1.3576 -0.8951 C.3 1 noname 0.0905 12 C3 3.2147 1.2623 -1.4494 C.2 1 noname -0.0637 13 C4 2.8766 1.1475 -2.7683 C.2 1 noname 0.0272 14 C5 2.6555 1.3539 0.8735 C.2 1 noname 0.0033 15 C6 1.5175 0.8844 -3.1197 C.2 1 noname 0.0273 16 C7 -0.2748 2.4985 -0.6323 C.2 1 noname -0.0463 17 C8 3.8144 1.4491 -3.8047 C.2 1 noname 0.0593 18 C9 1.1390 0.7670 -4.4796 C.2 1 noname 0.0400 19 C10 5.2348 1.6485 -3.4545 C.2 1 noname 0.0458 20 C11 3.3896 1.5338 -5.1533 C.2 1 noname 0.0438 21 C12 -0.3311 3.1009 0.6191 C.2 1 noname -0.0335 22 C13 -1.1243 2.9237 -1.6471 C.2 1 noname -0.0335 23 C14 2.0623 1.1479 -5.4904 C.2 1 noname 0.0253 24 C15 2.7484 3.6110 1.8344 C.3 1 noname -0.0242 25 C16 3.6525 0.2628 2.4196 C.2 1 noname 0.0782 26 C17 -1.2368 4.1284 0.8558 C.2 1 noname -0.0053 27 C18 -2.0300 3.9511 -1.4104 C.2 1 noname -0.0053 28 C19 -2.0863 4.5535 -0.1590 C.2 1 noname 0.0233 29 H1 2.3496 2.8082 -0.5876 H 1 noname 0.0469 30 H2 0.3891 0.5063 -0.3202 H 1 noname 0.0614 31 H3 4.8316 0.2757 -1.0617 H 1 noname 0.1476 32 H4 0.2155 0.4135 -4.7301 H 1 noname 0.0676 33 H5 6.0902 2.4907 -1.6531 H 1 noname 0.1512 34 H6 4.0283 1.8678 -5.8750 H 1 noname 0.0661 35 H7 0.2923 2.7889 1.3638 H 1 noname 0.0627 36 H8 -1.0830 2.4816 -2.5654 H 1 noname 0.0627 37 H9 2.1454 3.8660 2.7059 H 1 noname 0.0454 38 H10 2.2080 3.8810 0.9271 H 1 noname 0.0454 39 H11 3.6908 4.1574 1.8721 H 1 noname 0.0454 40 H12 4.0835 -0.4857 2.9622 H 1 noname 0.1079 41 H13 -1.2781 4.5704 1.7741 H 1 noname 0.0653 42 H14 -2.6534 4.2631 -2.1551 H 1 noname 0.0653 @BOND 1 1 23 1 2 2 28 1 3 3 19 2 4 4 11 1 5 4 15 2 6 5 7 1 7 5 12 1 8 5 31 1 9 6 9 1 10 6 14 1 11 6 24 1 12 7 19 1 13 7 33 1 14 8 14 2 15 8 25 1 16 9 25 2 17 10 11 1 18 10 12 1 19 10 14 1 20 10 29 1 21 11 16 1 22 11 30 1 23 12 13 2 24 13 15 1 25 13 17 1 26 15 18 1 27 16 21 2 28 16 22 1 29 17 19 1 30 17 20 2 31 18 23 2 32 18 32 1 33 20 23 1 34 20 34 1 35 21 26 1 36 21 35 1 37 22 27 2 38 22 36 1 39 24 37 1 40 24 38 1 41 24 39 1 42 25 40 1 43 26 28 2 44 26 41 1 45 27 28 1 46 27 42 1 @SUBSTRUCTURE 1 noname 1