@MOLECULE 119058049 51 52 1 SMALL USER_CHARGES @ATOM 1 F1 5.0762 -4.0142 -4.5540 F 1 noname -0.2509 2 O1 1.7115 4.4296 0.3237 O.2 1 noname -0.2934 3 O2 -0.0736 7.1919 -1.0301 O.2 1 noname -0.2923 4 N1 1.1947 0.3574 -0.1746 N.3 1 noname -0.0341 5 N2 -0.5037 4.6358 0.0502 N.3 1 noname -0.0677 6 N3 -2.0969 7.6174 -0.1449 N.3 1 noname -0.0851 7 C1 2.0285 -0.7856 -0.2238 C.3 1 noname -0.0538 8 C2 -0.1498 0.3682 -0.2852 C.2 1 noname -0.0728 9 C3 2.4598 -1.0395 -1.6782 C.3 1 noname -0.0369 10 C4 -0.6757 5.8295 0.8012 C.3 1 noname 0.0901 11 C5 -1.8277 5.6561 1.8543 C.3 1 noname -0.0227 12 C6 0.5442 2.4904 -0.0589 C.2 1 noname 0.0069 13 C7 -0.5834 1.6895 -0.2175 C.2 1 noname -0.0116 14 C8 1.6312 1.6211 -0.0114 C.2 1 noname -0.0603 15 C9 3.3572 -2.2894 -1.7422 C.3 1 noname -0.0493 16 C10 0.6167 3.8788 0.0949 C.2 1 noname 0.0234 17 C11 3.7943 -2.5452 -3.1938 C.3 1 noname -0.0245 18 C12 -1.0670 -0.6932 -0.4120 C.2 1 noname -0.0415 19 C13 -1.5816 4.4745 2.8126 C.3 1 noname -0.0608 20 C14 -1.9342 6.9276 2.8012 C.3 1 noname -0.0608 21 C15 -1.9637 1.9889 -0.2814 C.2 1 noname -0.0336 22 C16 -0.9417 6.8930 -0.1877 C.2 1 noname 0.0414 23 C17 -2.4404 -0.3903 -0.4151 C.2 1 noname -0.0508 24 C18 -2.8815 0.9410 -0.3642 C.2 1 noname -0.0531 25 C19 4.6896 -3.7904 -3.2612 C.3 1 noname 0.0895 26 H1 1.4954 -1.6609 0.1546 H 1 noname 0.0472 27 H2 2.9131 -0.6394 0.4028 H 1 noname 0.0472 28 H3 0.2422 6.0475 1.3623 H 1 noname 0.0569 29 H4 1.5740 -1.1907 -2.3053 H 1 noname 0.0283 30 H5 3.0121 -0.1705 -2.0527 H 1 noname 0.0283 31 H6 -2.7698 5.4600 1.3014 H 1 noname 0.0318 32 H7 2.6085 1.8987 0.1350 H 1 noname 0.0799 33 H8 2.7944 -3.1507 -1.3615 H 1 noname 0.0268 34 H9 4.2369 -2.1276 -1.1074 H 1 noname 0.0268 35 H10 -1.2672 4.3183 -0.4478 H 1 noname 0.1322 36 H11 2.9070 -2.6966 -3.8165 H 1 noname 0.0293 37 H12 4.3466 -1.6753 -3.5628 H 1 noname 0.0293 38 H13 -0.7488 -1.6610 -0.4761 H 1 noname 0.0642 39 H14 -2.8519 6.8466 3.3876 H 1 noname 0.0234 40 H15 -2.0418 7.9120 2.2737 H 1 noname 0.0234 41 H16 -2.4085 4.4013 3.5189 H 1 noname 0.0234 42 H17 -1.5106 3.5503 2.2392 H 1 noname 0.0234 43 H18 -0.6515 4.6364 3.3576 H 1 noname 0.0234 44 H19 -1.0532 6.9832 3.4406 H 1 noname 0.0234 45 H20 -2.3242 2.9326 -0.2500 H 1 noname 0.0629 46 H21 -3.1253 -1.1420 -0.4470 H 1 noname 0.0623 47 H22 -3.8771 1.1675 -0.3791 H 1 noname 0.0622 48 H23 4.1378 -4.6550 -2.8921 H 1 noname 0.0623 49 H24 5.5723 -3.6347 -2.6410 H 1 noname 0.0623 50 H25 -2.8075 7.3183 0.4574 H 1 noname 0.1271 51 H26 -2.2165 8.3929 -0.6928 H 1 noname 0.1271 @BOND 1 1 25 1 2 2 16 2 3 3 22 2 4 4 7 1 5 4 8 1 6 4 14 1 7 5 10 1 8 5 16 1 9 5 35 1 10 6 22 1 11 6 50 1 12 6 51 1 13 7 9 1 14 7 26 1 15 7 27 1 16 8 13 1 17 8 18 2 18 9 15 1 19 9 29 1 20 9 30 1 21 10 11 1 22 10 22 1 23 10 28 1 24 11 19 1 25 11 20 1 26 11 31 1 27 12 13 1 28 12 14 2 29 12 16 1 30 13 21 2 31 14 32 1 32 15 17 1 33 15 33 1 34 15 34 1 35 17 25 1 36 17 36 1 37 17 37 1 38 18 23 1 39 18 38 1 40 19 41 1 41 19 42 1 42 19 43 1 43 20 39 1 44 20 40 1 45 20 44 1 46 21 24 1 47 21 45 1 48 23 24 2 49 23 46 1 50 24 47 1 51 25 48 1 52 25 49 1 @SUBSTRUCTURE 1 noname 1