@MOLECULE 245496 69 74 1 SMALL USER_CHARGES @ATOM 1 F1 -2.7248 5.0874 2.3790 F 1 noname -0.1601 2 C1 -3.5021 4.0981 2.7101 C.2 1 noname 0.0513 3 C2 -3.8036 3.9046 4.1031 C.2 1 noname 0.0217 4 C3 -4.0085 3.2656 1.6774 C.2 1 noname 0.0438 5 C4 -3.2939 4.7557 5.1558 C.2 1 noname -0.0181 6 C5 -4.6567 2.8085 4.4535 C.2 1 noname 0.0024 7 C6 -4.8526 2.1896 2.0744 C.2 1 noname 0.0379 8 C7 -3.0628 6.1479 4.8948 C.2 1 noname 0.0231 9 C8 -3.0222 4.2502 6.4777 C.2 1 noname -0.0131 10 C9 -5.1646 1.9536 3.4573 C.2 1 noname 0.0151 11 N1 -5.3778 1.3790 1.1021 N.2 1 noname -0.2398 12 N2 -2.5678 6.9142 5.9034 N.2 1 noname -0.2215 13 C10 -2.5298 5.0570 7.5169 C.2 1 noname 0.0092 14 C11 -6.0070 0.8358 3.7298 C.2 1 noname 0.0299 15 C12 -6.2100 0.3229 1.3373 C.2 1 noname 0.0274 16 C13 -2.2896 6.4141 7.1527 C.2 1 noname 0.0633 17 N3 -6.4792 0.2578 4.8543 N.3 1 noname -0.1035 18 C14 -6.5197 0.0666 2.6825 C.2 1 noname 0.0324 19 O1 -1.7907 7.2701 8.0790 O.3 1 noname -0.2416 20 C15 -7.2563 -0.7863 4.4969 C.2 1 noname 0.1307 21 C16 -6.1645 0.6745 6.2039 C.3 1 noname 0.0470 22 N4 -7.2973 -0.9067 3.1574 N.3 1 noname -0.1058 23 C17 -0.3613 7.2714 7.9768 C.3 1 noname 0.0563 24 O2 -7.8543 -1.5365 5.2982 O.2 1 noname -0.2509 25 C18 -4.8620 0.0085 6.7610 C.3 1 noname 0.0632 26 C19 -7.2953 0.5462 7.2843 C.3 1 noname -0.0322 27 C20 -8.0143 -1.8639 2.4105 C.3 1 noname 0.0008 28 C21 0.1496 8.1551 9.0874 C.3 1 noname -0.0161 29 O3 -4.4655 0.5972 8.0332 O.3 1 noname -0.3796 30 C22 -6.9169 1.1186 8.6744 C.3 1 noname -0.0280 31 C23 1.6836 8.2593 8.9728 C.3 1 noname 0.0004 32 C24 -5.4933 0.5840 9.0802 C.3 1 noname 0.0468 33 N5 2.2534 9.1036 10.0177 N.3 1 noname -0.3031 34 C25 3.7020 9.0670 9.9305 C.3 1 noname -0.0017 35 C26 2.0110 10.5544 9.8422 C.3 1 noname -0.0017 36 C27 4.0943 10.1828 10.9088 C.3 1 noname -0.0392 37 C28 2.9954 11.2567 10.7791 C.3 1 noname -0.0392 38 H1 -3.7614 3.4437 0.6308 H 1 noname 0.0676 39 H2 -4.9233 2.6221 5.4938 H 1 noname 0.0637 40 H3 -3.2625 6.6216 3.9336 H 1 noname 0.0846 41 H4 -3.1990 3.1987 6.7042 H 1 noname 0.0631 42 H5 -2.3500 4.6645 8.5178 H 1 noname 0.0667 43 H6 -6.5989 -0.2725 0.5112 H 1 noname 0.0857 44 H7 -6.0402 1.7280 5.9535 H 1 noname 0.0500 45 H8 -0.0349 6.2507 8.1763 H 1 noname 0.0573 46 H9 -0.1185 7.7451 7.0256 H 1 noname 0.0573 47 H10 -5.0949 -1.0312 6.9908 H 1 noname 0.0583 48 H11 -4.0497 0.2460 6.0740 H 1 noname 0.0583 49 H12 -8.1205 1.1638 6.9297 H 1 noname 0.0284 50 H13 -7.4420 -0.5227 7.4395 H 1 noname 0.0284 51 H14 -8.5254 -2.5462 3.0897 H 1 noname 0.0404 52 H15 -8.7482 -1.3592 1.7822 H 1 noname 0.0404 53 H16 -7.3236 -2.4262 1.7822 H 1 noname 0.0404 54 H17 -0.2573 9.1497 8.9050 H 1 noname 0.0303 55 H18 -0.0712 7.6388 10.0216 H 1 noname 0.0303 56 H19 -6.8318 2.1986 8.5539 H 1 noname 0.0290 57 H20 -7.6304 0.7043 9.3867 H 1 noname 0.0290 58 H21 2.0895 7.2644 9.1558 H 1 noname 0.0431 59 H22 1.9034 8.7741 8.0375 H 1 noname 0.0431 60 H23 -5.6120 -0.4738 9.3147 H 1 noname 0.0566 61 H24 -5.1054 1.2692 9.8340 H 1 noname 0.0566 62 H25 4.0329 8.1077 10.3283 H 1 noname 0.0430 63 H26 3.9797 9.3624 8.9187 H 1 noname 0.0430 64 H27 2.2848 10.8024 8.8167 H 1 noname 0.0430 65 H28 1.0014 10.7554 10.2005 H 1 noname 0.0430 66 H29 4.0365 9.7708 11.9163 H 1 noname 0.0280 67 H30 5.0269 10.6194 10.5512 H 1 noname 0.0280 68 H31 3.4108 12.1197 10.2587 H 1 noname 0.0280 69 H32 2.5162 11.3844 11.7498 H 1 noname 0.0280 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 1 5 3 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 7 10 1 12 8 12 1 13 9 13 2 14 10 14 2 15 11 15 1 16 12 16 2 17 13 16 1 18 14 17 1 19 14 18 1 20 15 18 2 21 16 19 1 22 17 20 1 23 21 17 1 24 18 22 1 25 19 23 1 26 20 24 2 27 20 22 1 28 21 25 1 29 21 26 1 30 22 27 1 31 23 28 1 32 25 29 1 33 26 30 1 34 28 31 1 35 29 32 1 36 30 32 1 37 31 33 1 38 33 34 1 39 33 35 1 40 34 36 1 41 35 37 1 42 36 37 1 43 4 38 1 44 6 39 1 45 8 40 1 46 9 41 1 47 13 42 1 48 15 43 1 49 21 44 1 50 23 45 1 51 23 46 1 52 25 47 1 53 25 48 1 54 26 49 1 55 26 50 1 56 27 51 1 57 27 52 1 58 27 53 1 59 28 54 1 60 28 55 1 61 30 56 1 62 30 57 1 63 31 58 1 64 31 59 1 65 32 60 1 66 32 61 1 67 34 62 1 68 34 63 1 69 35 64 1 70 35 65 1 71 36 66 1 72 36 67 1 73 37 68 1 74 37 69 1 @SUBSTRUCTURE 1 noname 1