@MOLECULE 71713629 58 63 1 SMALL USER_CHARGES @ATOM 1 F1 2.2908 -0.9731 -7.8665 F 1 noname -0.1301 2 O1 2.2447 -3.9451 -2.3213 O.2 1 noname -0.2685 3 N1 -0.4896 -3.1956 -0.3645 N.3 1 noname -0.0441 4 N2 5.7878 -2.4019 2.5417 N.3 1 noname -0.0567 5 N3 0.2488 -3.0607 -3.2061 N.3 1 noname -0.1289 6 N4 0.8860 -2.0859 1.2005 N.2 1 noname -0.1982 7 N5 -0.1437 -0.8846 -0.5290 N.2 1 noname -0.2902 8 N6 4.7133 -1.9912 3.1387 N.2 1 noname -0.3537 9 N7 2.5478 -1.1775 2.5212 N.3 1 noname 0.0439 10 N8 0.5134 0.1774 -0.1735 N.3 1 noname -0.0554 11 N9 2.6250 -2.0612 -5.8706 N.2 1 noname -0.1978 12 C1 6.5493 -2.8317 0.1904 C.3 1 noname 0.0310 13 C2 0.2802 -4.2491 -0.9482 C.3 1 noname 0.0994 14 C3 7.0370 -4.2762 0.3926 C.3 1 noname -0.0444 15 C4 6.0718 -3.9599 -0.7448 C.3 1 noname -0.0444 16 C5 -0.7176 -5.3269 -1.3634 C.3 1 noname -0.0247 17 C6 -2.0756 -4.6248 -1.3595 C.3 1 noname -0.0376 18 C7 -1.8853 -3.3883 -0.4701 C.3 1 noname 0.0072 19 C8 5.5730 -2.4054 1.2149 C.2 1 noname -0.0664 20 C9 1.3827 -4.9207 -0.1133 C.3 1 noname -0.0376 21 C10 1.0165 -3.7568 -2.1858 C.2 1 noname 0.1404 22 C11 0.0394 -2.0557 0.1375 C.2 1 noname 0.0989 23 C12 4.2940 -1.9334 0.9582 C.2 1 noname 0.0173 24 C13 3.7747 -1.6855 2.2243 C.2 1 noname 0.0407 25 C14 1.5800 -0.9922 1.5898 C.2 1 noname 0.0572 26 C15 1.3872 0.1981 0.8551 C.2 1 noname -0.0926 27 C16 0.7714 -2.5445 -4.3703 C.2 1 noname 0.0068 28 C17 1.9632 1.4585 0.9222 C.2 1 noname -0.0104 29 C18 0.4711 1.3751 -0.7740 C.2 1 noname -0.0726 30 C19 1.3774 2.1971 -0.1066 C.2 1 noname -0.0293 31 C20 -0.0901 -1.9108 -5.3294 C.2 1 noname -0.0005 32 C21 2.1752 -2.6023 -4.6886 C.2 1 noname 0.0347 33 C22 0.3780 -1.3525 -6.5501 C.2 1 noname 0.0332 34 C23 1.7877 -1.4616 -6.7707 C.2 1 noname 0.0778 35 H1 7.4579 -2.2627 -0.0065 H 1 noname 0.0366 36 H2 5.0643 -4.2646 -0.4617 H 1 noname 0.0273 37 H3 6.5716 -4.2836 -1.6578 H 1 noname 0.0273 38 H4 6.4895 -4.7325 1.2173 H 1 noname 0.0273 39 H5 8.0698 -4.4931 0.1200 H 1 noname 0.0273 40 H6 -0.7193 -6.1255 -0.6217 H 1 noname 0.0291 41 H7 -0.4773 -5.7752 -2.3275 H 1 noname 0.0291 42 H8 -2.8228 -5.2814 -0.9139 H 1 noname 0.0280 43 H9 -2.3130 -4.3018 -2.3732 H 1 noname 0.0280 44 H10 -2.3364 -2.5210 -0.9522 H 1 noname 0.0436 45 H11 -2.2904 -3.5650 0.5263 H 1 noname 0.0436 46 H12 1.8664 -5.6964 -0.7069 H 1 noname 0.0254 47 H13 0.9423 -5.3671 0.7783 H 1 noname 0.0254 48 H14 2.1211 -4.1747 0.1807 H 1 noname 0.0254 49 H15 3.8412 -1.7998 0.0540 H 1 noname 0.0673 50 H16 6.6122 -2.6639 2.9806 H 1 noname 0.1751 51 H17 -0.7032 -2.9520 -3.0550 H 1 noname 0.1372 52 H18 2.1774 -1.6510 3.2825 H 1 noname 0.1374 53 H19 2.6685 1.7787 1.5858 H 1 noname 0.0644 54 H20 -0.1133 1.6354 -1.5684 H 1 noname 0.0813 55 H21 1.5780 3.1716 -0.3316 H 1 noname 0.0637 56 H22 -1.0880 -1.8589 -5.1243 H 1 noname 0.0641 57 H23 2.8308 -3.0414 -4.0422 H 1 noname 0.0857 58 H24 -0.2468 -0.9058 -7.2212 H 1 noname 0.0671 @BOND 1 1 34 1 2 2 21 2 3 3 13 1 4 3 18 1 5 3 22 1 6 4 8 1 7 4 19 1 8 4 50 1 9 5 21 1 10 5 27 1 11 5 51 1 12 6 22 1 13 6 25 2 14 7 10 1 15 7 22 2 16 8 24 2 17 9 24 1 18 9 25 1 19 9 52 1 20 10 26 1 21 10 29 1 22 11 32 1 23 11 34 2 24 12 14 1 25 12 15 1 26 12 19 1 27 12 35 1 28 13 16 1 29 13 20 1 30 13 21 1 31 14 15 1 32 14 38 1 33 14 39 1 34 15 36 1 35 15 37 1 36 16 17 1 37 16 40 1 38 16 41 1 39 17 18 1 40 17 42 1 41 17 43 1 42 18 44 1 43 18 45 1 44 19 23 2 45 20 46 1 46 20 47 1 47 20 48 1 48 23 24 1 49 23 49 1 50 25 26 1 51 26 28 2 52 27 31 1 53 27 32 2 54 28 30 1 55 28 53 1 56 29 30 2 57 29 54 1 58 30 55 1 59 31 33 2 60 31 56 1 61 32 57 1 62 33 34 1 63 33 58 1 @SUBSTRUCTURE 1 noname 1