@MOLECULE 71493320 42 44 1 SMALL USER_CHARGES @ATOM 1 F1 -1.4842 4.0621 0.3803 F 1 noname -0.1661 2 F2 -2.3198 3.2521 2.2929 F 1 noname -0.1661 3 F3 -3.0293 2.4427 0.3298 F 1 noname -0.1661 4 F4 2.8765 0.6301 3.3805 F 1 noname -0.1661 5 F5 3.6642 1.4244 1.4411 F 1 noname -0.1661 6 F6 2.6161 2.7940 2.8687 F 1 noname -0.1661 7 O1 -4.5596 -5.4755 -2.4171 O.2 1 noname -0.2904 8 N1 -1.6351 -3.3000 -0.5517 N.3 1 noname 0.0089 9 N2 -1.5189 -2.0140 -0.5773 N.2 1 noname -0.2687 10 N3 0.0948 -2.8104 0.6635 N.2 1 noname -0.1808 11 N4 -5.8997 -3.7535 -2.2279 N.3 1 noname -0.0357 12 N5 -6.9273 -4.3963 -2.8458 N.3 1 noname -0.0433 13 N6 -9.1949 -4.0540 -3.5254 N.2 1 noname -0.2389 14 N7 -9.3453 -1.5252 -2.5968 N.2 1 noname -0.2377 15 C1 -0.1137 -0.3610 0.5398 C.2 1 noname 0.0021 16 C2 -0.8767 1.9140 1.0464 C.2 1 noname 0.0137 17 C3 1.3600 1.2107 1.7100 C.2 1 noname 0.0137 18 C4 1.1380 -0.0460 1.1050 C.2 1 noname 0.0188 19 C5 -1.0759 0.6641 0.4299 C.2 1 noname 0.0188 20 C6 0.3303 2.1722 1.7205 C.2 1 noname 0.0272 21 C7 -0.4655 -1.6821 0.1863 C.2 1 noname 0.0936 22 C8 -1.9474 2.9367 1.0117 C.3 1 noname 0.4161 23 C9 2.6533 1.5206 2.3622 C.3 1 noname 0.4161 24 C10 -0.6597 -3.8180 0.2100 C.2 1 noname 0.0014 25 C11 -2.5801 -4.0019 -1.1466 C.2 1 noname -0.0360 26 C12 -3.7951 -3.5052 -1.3863 C.2 1 noname 0.0459 27 C13 -4.7280 -4.2951 -2.0201 C.2 1 noname 0.0399 28 C14 -8.0611 -3.5469 -2.9222 C.2 1 noname 0.0646 29 C15 -8.1620 -2.1967 -2.4338 C.2 1 noname 0.0282 30 C16 -10.3868 -3.3768 -3.6892 C.2 1 noname 0.0284 31 C17 -10.4615 -2.0507 -3.2008 C.2 1 noname -0.0004 32 H1 1.8848 -0.7527 1.1038 H 1 noname 0.0636 33 H2 -1.9607 0.4714 -0.0564 H 1 noname 0.0636 34 H3 0.4607 3.0712 2.2103 H 1 noname 0.0634 35 H4 -0.5418 -4.8128 0.4402 H 1 noname 0.1035 36 H5 -2.3737 -4.9470 -1.4073 H 1 noname 0.0815 37 H6 -4.0265 -2.5616 -1.0929 H 1 noname 0.0689 38 H7 -5.9921 -2.8348 -1.9045 H 1 noname 0.1512 39 H8 -7.1677 -5.2388 -2.3197 H 1 noname 0.1496 40 H9 -7.3966 -1.6822 -1.9598 H 1 noname 0.0873 41 H10 -11.1855 -3.8168 -4.1463 H 1 noname 0.0856 42 H11 -11.3167 -1.5027 -3.2943 H 1 noname 0.0855 @BOND 1 1 22 1 2 2 22 1 3 3 22 1 4 4 23 1 5 5 23 1 6 6 23 1 7 7 27 2 8 8 9 1 9 8 24 1 10 8 25 1 11 9 21 2 12 10 21 1 13 10 24 2 14 11 12 1 15 11 27 1 16 11 38 1 17 12 28 1 18 12 39 1 19 13 28 2 20 13 30 1 21 14 29 2 22 14 31 1 23 15 18 2 24 15 19 1 25 15 21 1 26 16 19 2 27 16 20 1 28 16 22 1 29 17 18 1 30 17 20 2 31 17 23 1 32 18 32 1 33 19 33 1 34 20 34 1 35 24 35 1 36 25 26 2 37 25 36 1 38 26 27 1 39 26 37 1 40 28 29 1 41 29 40 1 42 30 31 2 43 30 41 1 44 31 42 1 @SUBSTRUCTURE 1 noname 1