@MOLECULE 116002 60 64 1 SMALL USER_CHARGES @ATOM 1 F1 1.1969 -4.3661 5.8189 F 1 noname -0.1548 2 C1 0.3957 -3.3476 5.9341 C.2 1 noname 0.0797 3 C2 0.8333 -2.0061 5.7353 C.2 1 noname 0.0913 4 C3 -0.9760 -3.4935 6.2666 C.2 1 noname 0.0265 5 C4 -0.0044 -0.8526 5.9089 C.2 1 noname 0.0797 6 C5 2.2156 -1.9120 5.2514 C.2 1 noname 0.0495 7 C6 -1.8846 -2.3691 6.4067 C.2 1 noname 0.0123 8 F2 0.4788 0.3470 5.7674 F 1 noname -0.1548 9 C7 -1.3634 -1.0487 6.2366 C.2 1 noname 0.0265 10 O1 2.8597 -2.9636 5.0470 O.2 1 noname -0.2874 11 N1 2.8693 -0.6091 4.9984 N.3 1 noname -0.0560 12 C8 -3.2940 -2.5147 6.7314 C.2 1 noname 0.0478 13 C9 4.2160 -0.4704 5.5870 C.3 1 noname 0.0625 14 C10 2.2955 0.5615 4.2512 C.3 1 noname 0.0228 15 N2 -4.0762 -1.3645 6.8024 N.2 1 noname -0.2213 16 C11 -3.9541 -3.7618 6.9999 C.2 1 noname 0.0415 17 C12 4.0863 0.6864 6.4904 C.2 1 noname -0.0465 18 C13 2.2196 1.7879 5.2238 C.3 1 noname 0.0309 19 C14 -5.4011 -1.3717 7.1147 C.2 1 noname 0.0456 20 C15 -3.3907 -4.9317 6.9783 C.1 1 noname -0.0100 21 C16 -5.3259 -3.7487 7.3226 C.2 1 noname 0.0371 22 N3 4.7672 0.8631 7.6250 N.2 1 noname -0.2370 23 N4 3.1828 1.6797 6.3042 N.3 1 noname -0.0398 24 N5 -5.9969 -2.5673 7.3703 N.2 1 noname -0.2300 25 C17 -2.7318 -5.9245 6.9204 C.1 1 noname -0.0269 26 C18 -6.0239 -4.9996 7.6049 C.3 1 noname 0.0467 27 C19 4.2934 1.9921 8.1747 C.2 1 noname 0.0038 28 C20 3.2952 2.5138 7.3481 C.2 1 noname -0.0664 29 C21 -1.9888 -6.9986 6.8535 C.2 1 noname -0.0258 30 C22 -7.1653 -5.1840 6.6028 C.3 1 noname -0.0597 31 C23 2.5235 3.7319 7.5766 C.3 1 noname 0.0170 32 C24 -0.7439 -7.0773 7.5494 C.2 1 noname 0.0129 33 C25 -2.4874 -8.1105 6.1100 C.2 1 noname -0.0243 34 N6 -0.0821 -8.2818 7.4533 N.2 1 noname -0.2633 35 C26 -1.7773 -9.3357 6.0353 C.2 1 noname -0.0315 36 C27 -0.5396 -9.3805 6.7449 C.2 1 noname 0.0173 37 N7 0.1913 -10.5034 6.7253 N.3 1 noname -0.1209 38 H1 -1.3455 -4.5074 6.4201 H 1 noname 0.0660 39 H2 -2.0106 -0.1802 6.3583 H 1 noname 0.0660 40 H3 4.4096 -1.3528 6.1968 H 1 noname 0.0516 41 H4 4.9061 -0.1974 4.7887 H 1 noname 0.0516 42 H5 3.0133 0.8046 3.4677 H 1 noname 0.0452 43 H6 1.2746 0.2844 3.9881 H 1 noname 0.0452 44 H7 2.5249 2.6724 4.6648 H 1 noname 0.0486 45 H8 1.2462 1.7617 5.7135 H 1 noname 0.0486 46 H9 -5.9705 -0.4433 7.1589 H 1 noname 0.1061 47 H10 -5.2989 -5.7940 7.4279 H 1 noname 0.0329 48 H11 -6.4692 -4.8782 8.5924 H 1 noname 0.0329 49 H12 4.6522 2.4077 9.1163 H 1 noname 0.0856 50 H13 -8.1008 -5.3352 7.1414 H 1 noname 0.0234 51 H14 -7.2461 -4.2955 5.9766 H 1 noname 0.0234 52 H15 -6.9622 -6.0527 5.9766 H 1 noname 0.0234 53 H16 2.4175 3.8991 8.6485 H 1 noname 0.0293 54 H17 3.0401 4.5793 7.1260 H 1 noname 0.0293 55 H18 1.5366 3.6267 7.1260 H 1 noname 0.0293 56 H19 -0.3188 -6.2564 8.1268 H 1 noname 0.0853 57 H20 -3.4379 -8.0214 5.5840 H 1 noname 0.0637 58 H21 -2.1576 -10.1865 5.4699 H 1 noname 0.0656 59 H22 -0.2663 -11.4038 6.7180 H 1 noname 0.1257 60 H23 1.1999 -10.4494 6.7180 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 2 23 17 23 1 24 18 23 1 25 19 24 2 26 20 25 3 27 21 26 1 28 21 24 1 29 22 27 1 30 23 28 1 31 25 29 1 32 26 30 1 33 27 28 2 34 28 31 1 35 29 32 2 36 29 33 1 37 32 34 1 38 33 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 18 44 1 49 18 45 1 50 19 46 1 51 26 47 1 52 26 48 1 53 27 49 1 54 30 50 1 55 30 51 1 56 30 52 1 57 31 53 1 58 31 54 1 59 31 55 1 60 32 56 1 61 33 57 1 62 35 58 1 63 37 59 1 64 37 60 1 @SUBSTRUCTURE 1 noname 1