@MOLECULE 119058050 53 54 1 SMALL USER_CHARGES @ATOM 1 F1 0.5345 -5.0112 -5.3099 F 1 noname -0.2509 2 O1 2.8280 5.6653 -1.9942 O.2 1 noname -0.2922 3 O2 0.5557 4.3400 0.3746 O.2 1 noname -0.2821 4 N1 2.2722 3.2542 -0.5965 N.3 1 noname -0.0578 5 N2 -0.2143 -0.0411 -0.0393 N.3 1 noname 0.0104 6 N3 0.7012 0.8464 -0.3184 N.2 1 noname -0.2530 7 N4 4.9710 5.0942 -1.8371 N.3 1 noname -0.0850 8 C1 4.4899 3.3605 0.4690 C.3 1 noname -0.0139 9 C2 3.3107 4.1720 -0.2025 C.3 1 noname 0.0927 10 C3 3.9838 2.5467 1.7189 C.3 1 noname -0.0582 11 C4 5.5606 4.3663 1.0417 C.3 1 noname -0.0582 12 C5 5.0890 2.3152 -0.5535 C.3 1 noname -0.0582 13 C6 3.7009 5.0101 -1.3801 C.2 1 noname 0.0416 14 C7 -0.0915 -1.4278 -0.3359 C.3 1 noname -0.0212 15 C8 0.2800 2.0802 0.0216 C.2 1 noname 0.0703 16 C9 1.0174 3.2699 -0.0880 C.2 1 noname 0.0537 17 C10 0.0089 -1.6576 -1.8508 C.3 1 noname -0.0353 18 C11 -1.2655 0.5674 0.5427 C.2 1 noname -0.0430 19 C12 -0.9924 1.9308 0.5709 C.2 1 noname 0.0230 20 C13 0.1167 -3.1511 -2.1457 C.3 1 noname -0.0492 21 C14 0.2879 -3.3402 -3.6528 C.3 1 noname -0.0245 22 C15 -2.4827 0.0795 1.0686 C.2 1 noname -0.0322 23 C16 -1.9091 2.8608 1.0838 C.2 1 noname -0.0222 24 C17 -3.4178 1.0019 1.5779 C.2 1 noname -0.0488 25 C18 -3.1385 2.3869 1.5789 C.2 1 noname -0.0508 26 C19 0.3779 -4.8349 -3.9601 C.3 1 noname 0.0895 27 H1 2.9233 4.8657 0.5575 H 1 noname 0.0572 28 H2 6.4203 3.8328 1.4811 H 1 noname 0.0236 29 H3 5.1014 5.0469 1.7906 H 1 noname 0.0236 30 H4 5.9379 1.7924 -0.1216 H 1 noname 0.0236 31 H5 4.3362 1.5826 -0.8498 H 1 noname 0.0236 32 H6 5.4456 2.7512 -1.4896 H 1 noname 0.0236 33 H7 4.8081 1.9827 2.1643 H 1 noname 0.0236 34 H8 3.2016 1.8367 1.4490 H 1 noname 0.0236 35 H9 3.5847 3.2201 2.4798 H 1 noname 0.0236 36 H10 5.9766 5.0232 0.3232 H 1 noname 0.0236 37 H11 2.5151 2.5153 -1.1790 H 1 noname 0.1322 38 H12 -0.9575 -1.9613 0.0560 H 1 noname 0.0490 39 H13 0.8320 -1.8307 0.0801 H 1 noname 0.0490 40 H14 -0.8782 -1.2540 -2.3391 H 1 noname 0.0283 41 H15 0.8721 -1.1396 -2.2686 H 1 noname 0.0283 42 H16 -0.7936 -3.6529 -1.8176 H 1 noname 0.0268 43 H17 0.9747 -3.5967 -1.6424 H 1 noname 0.0268 44 H18 -0.5700 -2.9135 -4.1723 H 1 noname 0.0293 45 H19 1.1870 -2.8422 -4.0158 H 1 noname 0.0293 46 H20 -2.6803 -0.9219 1.0803 H 1 noname 0.0643 47 H21 -1.7138 3.8620 1.1004 H 1 noname 0.0630 48 H22 5.6691 4.5849 -1.3820 H 1 noname 0.1271 49 H23 5.2168 5.6370 -2.5959 H 1 noname 0.1271 50 H24 -4.3088 0.6700 1.9496 H 1 noname 0.0623 51 H25 -3.8233 3.0523 1.9371 H 1 noname 0.0622 52 H26 -0.5370 -5.3289 -3.6329 H 1 noname 0.0623 53 H27 1.2332 -5.2635 -3.4377 H 1 noname 0.0623 @BOND 1 1 26 1 2 2 13 2 3 3 16 2 4 4 9 1 5 4 16 1 6 4 37 1 7 5 6 1 8 5 14 1 9 5 18 1 10 6 15 2 11 7 13 1 12 7 48 1 13 7 49 1 14 8 9 1 15 8 10 1 16 8 11 1 17 8 12 1 18 9 13 1 19 9 27 1 20 10 33 1 21 10 34 1 22 10 35 1 23 11 28 1 24 11 29 1 25 11 36 1 26 12 30 1 27 12 31 1 28 12 32 1 29 14 17 1 30 14 38 1 31 14 39 1 32 15 16 1 33 15 19 1 34 17 20 1 35 17 40 1 36 17 41 1 37 18 19 1 38 18 22 2 39 19 23 2 40 20 21 1 41 20 42 1 42 20 43 1 43 21 26 1 44 21 44 1 45 21 45 1 46 22 24 1 47 22 46 1 48 23 25 1 49 23 47 1 50 24 25 2 51 24 50 1 52 25 51 1 53 26 52 1 54 26 53 1 @SUBSTRUCTURE 1 noname 1