@MOLECULE 76970915 64 68 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3215 0.8387 -6.2010 F 1 noname -0.2494 2 O1 3.4652 -6.2221 -5.3550 O.3 1 noname -0.3958 3 O2 2.5646 -2.2096 -4.4202 O.2 1 noname -0.2508 4 N1 4.1434 -3.6533 -1.1418 N.3 1 noname -0.3025 5 N2 1.3362 -4.1435 -4.1080 N.3 1 noname -0.1094 6 N3 0.5836 -2.5717 -5.5218 N.3 1 noname -0.1098 7 C1 6.5871 -3.2435 0.5950 C.3 1 noname -0.0256 8 C2 7.9049 -3.9790 0.9011 C.3 1 noname -0.0467 9 C3 6.6020 -4.7626 0.6766 C.3 1 noname -0.0467 10 C4 6.4501 -2.5511 -0.8158 C.3 1 noname -0.0229 11 C5 5.9743 -2.5282 1.8284 C.3 1 noname -0.0473 12 C6 7.0410 -1.1144 -0.7002 C.3 1 noname -0.0487 13 C7 4.9764 -2.4491 -1.3282 C.3 1 noname 0.0016 14 C8 6.4478 -1.0280 1.8400 C.3 1 noname -0.0527 15 C9 6.5030 -0.2517 0.4887 C.3 1 noname -0.0529 16 C10 4.5629 -4.7301 -2.0971 C.3 1 noname 0.0048 17 C11 2.7279 -3.1846 -1.1929 C.3 1 noname -0.0002 18 C12 3.7139 -4.8322 -3.3873 C.3 1 noname 0.0113 19 C13 2.1448 -4.8020 -3.0855 C.3 1 noname 0.0309 20 C14 1.7026 -4.2292 -1.6937 C.3 1 noname -0.0233 21 C15 4.2115 -6.0766 -4.1557 C.3 1 noname 0.0487 22 C16 0.1683 -4.5733 -4.6355 C.2 1 noname 0.0070 23 C17 1.5661 -2.9194 -4.6684 C.2 1 noname 0.1300 24 C18 -0.2956 -3.5733 -5.5127 C.2 1 noname 0.0071 25 C19 -0.5894 -5.7696 -4.4131 C.2 1 noname -0.0254 26 C20 0.5014 -1.3830 -6.2757 C.3 1 noname 0.0407 27 C21 -1.5277 -3.6807 -6.2302 C.2 1 noname -0.0255 28 C22 -1.8222 -5.8958 -5.1211 C.2 1 noname -0.0524 29 C23 -2.2790 -4.8726 -6.0092 C.2 1 noname -0.0523 30 C24 -0.2417 -0.3171 -5.4679 C.3 1 noname 0.1031 31 H1 8.1141 -3.9202 1.9693 H 1 noname 0.0272 32 H2 8.6499 -4.0283 0.1070 H 1 noname 0.0272 33 H3 6.1979 -5.0788 1.6383 H 1 noname 0.0272 34 H4 6.5086 -5.3100 -0.2613 H 1 noname 0.0272 35 H5 7.0443 -3.0620 -1.5885 H 1 noname 0.0321 36 H6 4.8866 -2.5654 1.7668 H 1 noname 0.0272 37 H7 6.2396 -3.0362 2.7555 H 1 noname 0.0272 38 H8 6.8834 -0.5803 -1.6372 H 1 noname 0.0270 39 H9 8.1044 -1.2512 -0.5039 H 1 noname 0.0270 40 H10 4.4879 -1.5936 -0.8617 H 1 noname 0.0433 41 H11 5.0196 -2.2143 -2.3917 H 1 noname 0.0433 42 H12 5.8526 -0.4646 2.5586 H 1 noname 0.0267 43 H13 7.4860 -1.0739 2.1690 H 1 noname 0.0267 44 H14 5.5092 0.1239 0.2446 H 1 noname 0.0267 45 H15 7.1123 0.6451 0.6012 H 1 noname 0.0267 46 H16 4.5613 -5.6918 -1.5840 H 1 noname 0.0434 47 H17 5.5965 -4.5571 -2.3969 H 1 noname 0.0434 48 H18 2.4286 -2.8247 -0.2086 H 1 noname 0.0431 49 H19 2.7169 -2.3545 -1.8993 H 1 noname 0.0431 50 H20 4.0036 -3.9629 -3.9789 H 1 noname 0.0355 51 H21 1.8162 -5.8444 -3.0002 H 1 noname 0.0481 52 H22 0.7231 -3.7605 -1.7884 H 1 noname 0.0296 53 H23 1.6922 -5.0480 -0.9742 H 1 noname 0.0296 54 H24 4.0794 -6.9633 -3.5357 H 1 noname 0.0567 55 H25 5.2676 -5.9561 -4.3973 H 1 noname 0.0567 56 H26 3.7809 -7.0115 -5.8424 H 1 noname 0.2100 57 H27 -0.2624 -6.4975 -3.7778 H 1 noname 0.0640 58 H28 -0.0374 -1.5774 -7.2030 H 1 noname 0.0467 59 H29 1.5062 -1.0291 -6.5066 H 1 noname 0.0467 60 H30 -1.8501 -2.9482 -6.8626 H 1 noname 0.0640 61 H31 -2.3893 -6.7335 -4.9907 H 1 noname 0.0623 62 H32 -3.1656 -4.9985 -6.4976 H 1 noname 0.0623 63 H33 -1.2464 -0.6710 -5.2370 H 1 noname 0.0637 64 H34 0.2972 -0.1227 -4.5406 H 1 noname 0.0637 @BOND 1 1 30 1 2 2 21 1 3 2 56 1 4 3 23 2 5 4 13 1 6 4 16 1 7 4 17 1 8 19 5 1 9 5 22 1 10 5 23 1 11 6 23 1 12 6 24 1 13 6 26 1 14 7 8 1 15 7 9 1 16 7 10 1 17 7 11 1 18 8 9 1 19 8 31 1 20 8 32 1 21 9 33 1 22 9 34 1 23 10 12 1 24 10 13 1 25 10 35 1 26 11 14 1 27 11 36 1 28 11 37 1 29 12 15 1 30 12 38 1 31 12 39 1 32 13 40 1 33 13 41 1 34 14 15 1 35 14 42 1 36 14 43 1 37 15 44 1 38 15 45 1 39 16 18 1 40 16 46 1 41 16 47 1 42 17 20 1 43 17 48 1 44 17 49 1 45 18 19 1 46 18 21 1 47 18 50 1 48 19 20 1 49 19 51 1 50 20 52 1 51 20 53 1 52 21 54 1 53 21 55 1 54 22 24 1 55 22 25 2 56 24 27 2 57 25 28 1 58 25 57 1 59 26 30 1 60 26 58 1 61 26 59 1 62 27 29 1 63 27 60 1 64 28 29 2 65 28 61 1 66 29 62 1 67 30 63 1 68 30 64 1 @SUBSTRUCTURE 1 noname 1