@MOLECULE 119058048 54 55 1 SMALL USER_CHARGES @ATOM 1 F1 5.0643 -4.0019 -4.5367 F 1 noname -0.2509 2 O1 -0.0391 7.2096 -1.0509 O.2 1 noname -0.2922 3 O2 1.7428 4.4130 0.3381 O.2 1 noname -0.2934 4 N1 -0.4811 4.6500 0.0367 N.3 1 noname -0.0676 5 N2 1.2081 0.3439 -0.1833 N.3 1 noname -0.0341 6 N3 -2.0630 7.6698 -0.1873 N.3 1 noname -0.0850 7 C1 -1.8722 5.6620 1.8651 C.3 1 noname -0.0139 8 C2 -0.7030 5.8490 0.7917 C.3 1 noname 0.0926 9 C3 -1.5814 4.4754 2.8179 C.3 1 noname -0.0582 10 C4 -1.9803 6.9162 2.8074 C.3 1 noname -0.0582 11 C5 -3.2440 5.2230 1.2423 C.3 1 noname -0.0582 12 C6 0.5490 2.4859 -0.0722 C.2 1 noname 0.0069 13 C7 2.0585 -0.7934 -0.2386 C.3 1 noname -0.0538 14 C8 -0.1440 0.3579 -0.2777 C.2 1 noname -0.0728 15 C9 -0.5801 1.6797 -0.2161 C.2 1 noname -0.0116 16 C10 -0.9236 6.9401 -0.2022 C.2 1 noname 0.0416 17 C11 0.6362 3.8860 0.0792 C.2 1 noname 0.0234 18 C12 2.4729 -1.0562 -1.6909 C.3 1 noname -0.0369 19 C13 1.6346 1.6096 -0.0174 C.2 1 noname -0.0603 20 C14 3.3606 -2.2945 -1.7389 C.3 1 noname -0.0493 21 C15 -1.0669 -0.6946 -0.4049 C.2 1 noname -0.0415 22 C16 -1.9644 1.9713 -0.2803 C.2 1 noname -0.0336 23 C17 3.7862 -2.5370 -3.1863 C.3 1 noname -0.0245 24 C18 -2.4442 -0.4024 -0.4184 C.2 1 noname -0.0508 25 C19 -2.8878 0.9319 -0.3662 C.2 1 noname -0.0531 26 C20 4.6773 -3.7780 -3.2415 C.3 1 noname 0.0895 27 H1 0.2176 6.0853 1.3543 H 1 noname 0.0572 28 H2 -2.8635 6.8523 3.4504 H 1 noname 0.0236 29 H3 -2.0070 7.8741 2.2812 H 1 noname 0.0236 30 H4 -3.9854 5.1174 2.0344 H 1 noname 0.0236 31 H5 -3.5779 5.9778 0.5304 H 1 noname 0.0236 32 H6 -3.1215 4.2689 0.7297 H 1 noname 0.0236 33 H7 -2.3965 4.3768 3.5348 H 1 noname 0.0236 34 H8 -1.4945 3.5566 2.2379 H 1 noname 0.0236 35 H9 -0.6485 4.6579 3.3512 H 1 noname 0.0236 36 H10 -1.0827 6.9406 3.4254 H 1 noname 0.0236 37 H11 -1.2409 4.3219 -0.4508 H 1 noname 0.1322 38 H12 1.5286 -1.6626 0.1510 H 1 noname 0.0472 39 H13 2.9858 -0.6195 0.3073 H 1 noname 0.0472 40 H14 1.5831 -1.2232 -2.2980 H 1 noname 0.0283 41 H15 3.0077 -0.2045 -2.1112 H 1 noname 0.0283 42 H16 2.6096 1.8996 0.1323 H 1 noname 0.0799 43 H17 2.8015 -3.1566 -1.3752 H 1 noname 0.0268 44 H18 4.2518 -2.1704 -1.1237 H 1 noname 0.0268 45 H19 -0.7515 -1.6605 -0.4706 H 1 noname 0.0642 46 H20 -2.3342 2.9088 -0.2563 H 1 noname 0.0629 47 H21 2.9019 -2.6970 -3.8032 H 1 noname 0.0293 48 H22 4.3358 -1.6852 -3.5867 H 1 noname 0.0293 49 H23 -2.7846 7.3942 0.4256 H 1 noname 0.1271 50 H24 -2.1859 8.4394 -0.7608 H 1 noname 0.1271 51 H25 -3.1291 -1.1504 -0.4547 H 1 noname 0.0623 52 H26 -3.8840 1.1564 -0.3810 H 1 noname 0.0622 53 H27 4.1218 -4.6409 -2.8740 H 1 noname 0.0623 54 H28 5.5602 -3.6201 -2.6221 H 1 noname 0.0623 @BOND 1 1 26 1 2 2 16 2 3 3 17 2 4 4 8 1 5 4 17 1 6 4 37 1 7 5 13 1 8 5 14 1 9 5 19 1 10 6 16 1 11 6 49 1 12 6 50 1 13 7 8 1 14 7 9 1 15 7 10 1 16 7 11 1 17 8 16 1 18 8 27 1 19 9 33 1 20 9 34 1 21 9 35 1 22 10 28 1 23 10 29 1 24 10 36 1 25 11 30 1 26 11 31 1 27 11 32 1 28 12 15 1 29 12 17 1 30 12 19 2 31 13 18 1 32 13 38 1 33 13 39 1 34 14 15 1 35 14 21 2 36 15 22 2 37 18 20 1 38 18 40 1 39 18 41 1 40 19 42 1 41 20 23 1 42 20 43 1 43 20 44 1 44 21 24 1 45 21 45 1 46 22 25 1 47 22 46 1 48 23 26 1 49 23 47 1 50 23 48 1 51 24 25 2 52 24 51 1 53 25 52 1 54 26 53 1 55 26 54 1 @SUBSTRUCTURE 1 noname 1