@MOLECULE 213777 49 53 1 SMALL USER_CHARGES @ATOM 1 F1 1.5696 -7.0867 0.3703 F 1 noname -0.1671 2 C1 1.9761 -5.9528 -0.2844 C.3 1 noname 0.4141 3 F2 3.1472 -6.2052 -0.9512 F 1 noname -0.1671 4 F3 2.1758 -4.9467 0.6252 F 1 noname -0.1671 5 C2 0.9494 -5.5481 -1.2402 C.2 1 noname -0.0304 6 C3 0.3113 -4.2685 -1.1482 C.2 1 noname -0.0262 7 C4 0.5434 -6.4125 -2.3014 C.2 1 noname -0.0530 8 C5 -0.7393 -3.8257 -2.0341 C.2 1 noname -0.0381 9 C6 -0.4501 -6.0476 -3.2593 C.2 1 noname -0.0733 10 N1 -1.3909 -2.5438 -1.8543 N.3 1 noname -0.1353 11 C7 -1.0710 -4.7648 -3.1077 C.2 1 noname -0.0578 12 C8 -2.3996 -2.1612 -2.8527 C.2 1 noname 0.0110 13 C9 -1.1913 -1.5040 -0.8585 C.2 1 noname 0.0229 14 O1 -3.4104 -2.8378 -3.1408 O.2 1 noname -0.3151 15 N2 -2.0505 -0.8657 -3.4667 N.3 1 noname -0.0904 16 C10 -0.7409 -1.6635 0.4969 C.2 1 noname 0.0224 17 C11 -1.4938 -0.1281 -1.1915 C.2 1 noname -0.0007 18 C12 -2.1451 0.2169 -2.4695 C.3 1 noname 0.0334 19 C13 -1.6792 -0.6879 -4.8153 C.3 1 noname -0.0043 20 N3 -0.5586 -2.8500 1.1204 N.2 1 noname -0.2462 21 C14 -0.4851 -0.5043 1.2984 C.2 1 noname 0.0044 22 C15 -1.2688 0.9766 -0.3565 C.2 1 noname -0.0074 23 C16 -0.0844 -2.9826 2.3987 C.2 1 noname -0.0035 24 N4 -0.7445 0.7374 0.8626 N.2 1 noname -0.2661 25 C17 0.0252 -0.5652 2.6185 C.2 1 noname -0.0238 26 C18 0.0849 -4.2950 2.9421 C.2 1 noname 0.0243 27 C19 0.2286 -1.8247 3.1737 C.2 1 noname -0.0276 28 C20 -0.7730 -5.3533 2.5189 C.2 1 noname 0.0310 29 C21 1.1111 -4.5897 3.9191 C.2 1 noname -0.0023 30 N5 -0.5754 -6.5855 3.0695 N.2 1 noname -0.1666 31 C22 1.2964 -5.8647 4.4901 C.2 1 noname 0.0663 32 C23 0.4024 -6.8589 4.0162 C.2 1 noname 0.0874 33 N6 0.4980 -8.0173 4.4650 N.1 1 noname 0.0042 34 C24 0.5862 -9.0846 4.8786 C.1 1 noname 0.5115 35 H1 0.6440 -3.5935 -0.3597 H 1 noname 0.0591 36 H2 1.0120 -7.3932 -2.3840 H 1 noname 0.0576 37 H3 -0.7231 -6.7202 -4.0724 H 1 noname 0.0569 38 H4 -1.8292 -4.4913 -3.8414 H 1 noname 0.0584 39 H5 -1.5814 1.0550 -2.8793 H 1 noname 0.0454 40 H6 -3.2060 0.3305 -2.2470 H 1 noname 0.0454 41 H7 -1.5491 -1.6616 -5.2877 H 1 noname 0.0378 42 H8 -2.4587 -0.1324 -5.3366 H 1 noname 0.0378 43 H9 -0.7426 -0.1324 -4.8641 H 1 noname 0.0378 44 H10 -1.4970 2.0014 -0.6493 H 1 noname 0.0790 45 H11 0.2550 0.3330 3.1917 H 1 noname 0.0595 46 H12 0.6221 -1.9021 4.1873 H 1 noname 0.0593 47 H13 -1.5683 -5.2224 1.7851 H 1 noname 0.0793 48 H14 1.7881 -3.8004 4.2460 H 1 noname 0.0581 49 H15 2.0662 -6.0649 5.2354 H 1 noname 0.0654 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 15 19 1 20 16 20 2 21 16 21 1 22 17 22 1 23 17 18 1 24 20 23 1 25 21 24 1 26 21 25 2 27 22 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 32 1 37 32 33 1 38 33 34 3 39 6 35 1 40 7 36 1 41 9 37 1 42 11 38 1 43 18 39 1 44 18 40 1 45 19 41 1 46 19 42 1 47 19 43 1 48 22 44 1 49 25 45 1 50 27 46 1 51 28 47 1 52 29 48 1 53 31 49 1 @SUBSTRUCTURE 1 noname 1