@MOLECULE 116125 63 67 1 SMALL USER_CHARGES @ATOM 1 F1 2.4140 0.8298 -1.0512 F 1 noname -0.1548 2 C1 1.3828 0.9420 -0.2659 C.2 1 noname 0.0796 3 C2 1.1819 2.1062 0.5370 C.2 1 noname 0.0913 4 C3 0.4083 -0.0892 -0.1708 C.2 1 noname 0.0265 5 C4 0.0960 2.2864 1.4440 C.2 1 noname 0.0796 6 C5 2.0762 3.2565 0.3903 C.2 1 noname 0.0481 7 C6 -0.7210 0.0458 0.7069 C.2 1 noname 0.0121 8 F2 -0.0105 3.3592 2.1721 F 1 noname -0.1548 9 C7 -0.8626 1.2434 1.5165 C.2 1 noname 0.0265 10 O1 3.0079 3.4723 1.1952 O.2 1 noname -0.2877 11 N1 1.8171 4.1571 -0.7701 N.3 1 noname -0.0604 12 C8 -1.7231 -0.9969 0.8112 C.2 1 noname 0.0478 13 C9 2.6341 5.3882 -0.5954 C.3 1 noname 0.0190 14 C10 0.3994 4.3356 -1.2683 C.3 1 noname 0.0190 15 N2 -2.9760 -0.5544 1.1666 N.2 1 noname -0.2213 16 C11 -1.5256 -2.4117 0.6101 C.2 1 noname 0.0415 17 C12 1.9026 6.4444 0.2717 C.3 1 noname 0.0121 18 C13 -0.3003 5.6654 -0.8879 C.3 1 noname 0.0121 19 C14 -4.0517 -1.3644 1.3781 C.2 1 noname 0.0456 20 C15 -0.4201 -3.0519 0.2619 C.1 1 noname -0.0100 21 C16 -2.6472 -3.2294 0.8367 C.2 1 noname 0.0371 22 N3 0.3834 6.3924 0.2261 N.3 1 noname -0.2932 23 N4 -3.8470 -2.7024 1.2085 N.2 1 noname -0.2300 24 C17 0.5669 -3.6698 -0.0539 C.1 1 noname -0.0269 25 C18 -2.5229 -4.6745 0.6699 C.3 1 noname 0.0467 26 C19 -0.3387 7.6899 0.3735 C.3 1 noname 0.0566 27 C20 1.6650 -4.3351 -0.4020 C.2 1 noname -0.0258 28 C21 -2.8498 -5.3705 1.9926 C.3 1 noname -0.0597 29 C22 0.0622 8.5720 1.5544 C.3 1 noname 0.0646 30 C23 0.1168 8.8713 -0.4954 C.3 1 noname 0.0646 31 C24 2.8419 -3.6200 -0.7863 C.2 1 noname 0.0129 32 C25 1.7010 -5.7696 -0.4004 C.2 1 noname -0.0243 33 O2 0.7123 9.4802 0.6549 O.3 1 noname -0.3778 34 N5 3.9547 -4.3601 -1.1369 N.2 1 noname -0.2633 35 C26 2.8616 -6.5129 -0.7663 C.2 1 noname -0.0315 36 C27 3.9975 -5.7408 -1.1381 C.2 1 noname 0.0173 37 N6 5.1286 -6.3639 -1.4957 N.3 1 noname -0.1209 38 H1 0.5279 -0.9888 -0.7745 H 1 noname 0.0660 39 H2 -1.7080 1.3621 2.1942 H 1 noname 0.0660 40 H3 3.5181 5.0757 -0.0395 H 1 noname 0.0449 41 H4 2.7399 5.8127 -1.5937 H 1 noname 0.0449 42 H5 0.4852 4.3461 -2.3549 H 1 noname 0.0449 43 H6 -0.1706 3.5488 -0.7742 H 1 noname 0.0449 44 H7 2.1634 6.2137 1.3045 H 1 noname 0.0444 45 H8 2.1661 7.4127 -0.1537 H 1 noname 0.0444 46 H9 -0.2160 6.3216 -1.7542 H 1 noname 0.0444 47 H10 -1.2832 5.4008 -0.4982 H 1 noname 0.0444 48 H11 -5.0233 -0.9637 1.6672 H 1 noname 0.1061 49 H12 -3.2894 -4.9601 -0.0506 H 1 noname 0.0329 50 H13 -1.4718 -4.8615 0.4504 H 1 noname 0.0329 51 H14 -1.3151 7.2162 0.2718 H 1 noname 0.0515 52 H15 -2.8153 -6.4510 1.8529 H 1 noname 0.0234 53 H16 -2.1196 -5.0782 2.7472 H 1 noname 0.0234 54 H17 -3.8475 -5.0782 2.3201 H 1 noname 0.0234 55 H18 -0.8066 9.0515 2.0053 H 1 noname 0.0583 56 H19 0.8015 8.0790 2.1857 H 1 noname 0.0583 57 H20 0.8914 8.5723 -1.2016 H 1 noname 0.0583 58 H21 -0.7303 9.4669 -0.8356 H 1 noname 0.0583 59 H22 2.8898 -2.5313 -0.8115 H 1 noname 0.0853 60 H23 0.8064 -6.3195 -0.1081 H 1 noname 0.0637 61 H24 2.8794 -7.6027 -0.7621 H 1 noname 0.0656 62 H25 5.1328 -7.3649 -1.6304 H 1 noname 0.1257 63 H26 5.9770 -5.8327 -1.6304 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 24 27 1 30 25 28 1 31 26 29 1 32 26 30 1 33 27 31 2 34 27 32 1 35 29 33 1 36 30 33 1 37 31 34 1 38 32 35 2 39 34 36 2 40 35 36 1 41 36 37 1 42 4 38 1 43 9 39 1 44 13 40 1 45 13 41 1 46 14 42 1 47 14 43 1 48 17 44 1 49 17 45 1 50 18 46 1 51 18 47 1 52 19 48 1 53 25 49 1 54 25 50 1 55 26 51 1 56 28 52 1 57 28 53 1 58 28 54 1 59 29 55 1 60 29 56 1 61 30 57 1 62 30 58 1 63 31 59 1 64 32 60 1 65 35 61 1 66 37 62 1 67 37 63 1 @SUBSTRUCTURE 1 noname 1