@MOLECULE DB01430 64 67 1 SMALL USER_CHARGES @ATOM 1 F1 -4.2083 -0.6401 0.7832 F 1 noname -0.1655 2 C1 -3.6913 -0.8146 -0.3979 C.2 1 noname 0.0233 3 C2 -4.2148 -0.1371 -1.4928 C.2 1 noname -0.0056 4 C3 -2.6152 -1.6786 -0.5647 C.2 1 noname -0.0056 5 C4 -3.6624 -0.3235 -2.7546 C.2 1 noname -0.0345 6 C5 -2.0628 -1.8650 -1.8265 C.2 1 noname -0.0345 7 C6 -2.5864 -1.1875 -2.9215 C.2 1 noname -0.0480 8 C7 -2.0061 -1.3833 -4.2468 C.3 1 noname 0.0603 9 N1 -0.8966 -2.3312 -4.1578 N.3 1 noname -0.2897 10 C8 -1.5155 -0.1063 -4.7568 C.2 1 noname -0.0480 11 C9 0.1542 -1.7882 -3.2248 C.3 1 noname 0.0125 12 C10 -0.5184 -2.7900 -5.5367 C.3 1 noname 0.0125 13 C11 -2.0294 0.4137 -5.9390 C.2 1 noname -0.0345 14 C12 -0.5343 0.5895 -4.0601 C.2 1 noname -0.0345 15 C13 1.6279 -2.2900 -3.5020 C.3 1 noname 0.0189 16 C14 0.9787 -2.6157 -5.9061 C.3 1 noname 0.0189 17 C15 -1.5623 1.6295 -6.4245 C.2 1 noname -0.0056 18 C16 -0.0672 1.8053 -4.5457 C.2 1 noname -0.0056 19 N2 1.7853 -2.9990 -4.7677 N.3 1 noname -0.0551 20 C17 -0.5812 2.3253 -5.7279 C.2 1 noname 0.0233 21 C18 2.5637 -4.1363 -4.8637 C.2 1 noname 0.0914 22 F2 -0.1440 3.4632 -6.1823 F 1 noname -0.1655 23 N3 3.8860 -4.1372 -4.4661 N.2 1 noname -0.2581 24 N4 1.9743 -5.2708 -5.3792 N.2 1 noname -0.2581 25 C19 4.6132 -5.2871 -4.5932 C.2 1 noname 0.0905 26 C20 2.7087 -6.4151 -5.5013 C.2 1 noname 0.0905 27 N5 4.0139 -6.4048 -5.1072 N.2 1 noname -0.2587 28 N6 5.8993 -5.3199 -4.2185 N.3 1 noname -0.0639 29 N7 2.1562 -7.5294 -6.0000 N.3 1 noname -0.0639 30 C21 5.9844 -5.6982 -2.8628 C.3 1 noname 0.0207 31 C22 1.5957 -8.2863 -4.9508 C.3 1 noname 0.0207 32 C23 7.3569 -5.7332 -2.4629 C.2 1 noname -0.0859 33 C24 1.0061 -9.4755 -5.4830 C.2 1 noname -0.0859 34 C25 7.6780 -6.0672 -1.2163 C.2 1 noname -0.0933 35 C26 0.4142 -10.3456 -4.6698 C.2 1 noname -0.0933 36 H1 -5.0586 0.5404 -1.3620 H 1 noname 0.0653 37 H2 -2.2047 -2.2099 0.2939 H 1 noname 0.0653 38 H3 -4.0730 0.2078 -3.6132 H 1 noname 0.0627 39 H4 -1.2190 -2.5425 -1.9574 H 1 noname 0.0627 40 H5 -2.7672 -1.7750 -4.9217 H 1 noname 0.0569 41 H6 0.1541 -0.7137 -3.4077 H 1 noname 0.0444 42 H7 -0.1243 -2.1742 -2.2442 H 1 noname 0.0444 43 H8 -0.7079 -3.8634 -5.5360 H 1 noname 0.0444 44 H9 -1.0751 -2.1388 -6.2106 H 1 noname 0.0444 45 H10 -2.7988 -0.1320 -6.4853 H 1 noname 0.0627 46 H11 -0.1313 0.1818 -3.1331 H 1 noname 0.0627 47 H12 2.2566 -1.4062 -3.6098 H 1 noname 0.0449 48 H13 1.8639 -3.0376 -2.7447 H 1 noname 0.0449 49 H14 1.2191 -3.3307 -6.6929 H 1 noname 0.0449 50 H15 1.1686 -1.5533 -6.0586 H 1 noname 0.0449 51 H16 -1.9654 2.0372 -7.3515 H 1 noname 0.0653 52 H17 0.7022 2.3510 -3.9994 H 1 noname 0.0653 53 H18 6.6629 -5.1003 -4.8421 H 1 noname 0.1315 54 H19 2.1614 -7.7566 -6.9841 H 1 noname 0.1315 55 H20 5.5050 -4.9052 -2.2888 H 1 noname 0.0477 56 H21 5.6080 -6.7193 -2.8015 H 1 noname 0.0477 57 H22 2.4250 -8.5980 -4.3157 H 1 noname 0.0477 58 H23 0.7857 -7.6873 -4.5345 H 1 noname 0.0477 59 H24 8.1857 -5.4974 -3.1305 H 1 noname 0.0583 60 H25 1.0080 -9.7269 -6.5436 H 1 noname 0.0583 61 H26 8.7237 -6.2041 -0.9409 H 1 noname 0.0535 62 H27 6.8955 -6.2041 -0.4699 H 1 noname 0.0535 63 H28 -0.6089 -10.1713 -4.3365 H 1 noname 0.0535 64 H29 0.9521 -11.2332 -4.3365 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 2 14 10 14 1 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 2 19 15 19 1 20 16 19 1 21 17 20 2 22 18 20 1 23 19 21 1 24 20 22 1 25 21 23 2 26 21 24 1 27 23 25 1 28 24 26 2 29 25 27 2 30 25 28 1 31 26 29 1 32 26 27 1 33 28 30 1 34 29 31 1 35 30 32 1 36 31 33 1 37 32 34 2 38 33 35 2 39 3 36 1 40 4 37 1 41 5 38 1 42 6 39 1 43 8 40 1 44 11 41 1 45 11 42 1 46 12 43 1 47 12 44 1 48 13 45 1 49 14 46 1 50 15 47 1 51 15 48 1 52 16 49 1 53 16 50 1 54 17 51 1 55 18 52 1 56 28 53 1 57 29 54 1 58 30 55 1 59 30 56 1 60 31 57 1 61 31 58 1 62 32 59 1 63 33 60 1 64 34 61 1 65 34 62 1 66 35 63 1 67 35 64 1 @SUBSTRUCTURE 1 noname 1