@MOLECULE 111746 56 59 1 SMALL USER_CHARGES @ATOM 1 F1 -1.4171 -5.2420 1.7628 F 1 noname -0.1660 2 C1 -0.6496 -4.4666 2.5931 C.3 1 noname 0.4176 3 F2 -0.5026 -5.0978 3.8013 F 1 noname -0.1660 4 F3 0.5834 -4.2720 2.0262 F 1 noname -0.1660 5 C2 -1.3019 -3.1760 2.7944 C.2 1 noname -0.0215 6 C3 -1.0128 -2.0790 1.8974 C.2 1 noname -0.0010 7 C4 -2.2187 -3.0080 3.8740 C.2 1 noname -0.0311 8 N1 -0.1058 -2.2456 0.8592 N.3 1 noname -0.1254 9 C5 -1.6661 -0.8019 2.0980 C.2 1 noname -0.0587 10 C6 -2.8463 -1.7319 4.0322 C.2 1 noname -0.0827 11 C7 1.2425 -2.7592 1.0927 C.3 1 noname 0.0164 12 C8 -0.4399 -1.8574 -0.5027 C.3 1 noname 0.0164 13 C9 -2.5932 -0.6216 3.1663 C.2 1 noname -0.0622 14 C10 2.3163 -1.7491 0.5682 C.3 1 noname 0.0178 15 C11 0.5142 -0.6950 -0.8955 C.3 1 noname 0.0178 16 N2 1.8970 -1.0363 -0.6482 N.3 1 noname -0.0882 17 C12 2.8046 -0.6149 -1.5947 C.2 1 noname 0.0564 18 N3 2.9647 0.7249 -1.8798 N.2 1 noname -0.2403 19 C13 3.5706 -1.5865 -2.3058 C.2 1 noname 0.0229 20 C14 3.8205 1.1811 -2.8447 C.2 1 noname 0.0410 21 C15 3.4916 -2.8593 -2.0542 C.1 1 noname -0.0112 22 C16 4.4340 -1.0949 -3.3120 C.2 1 noname 0.0319 23 N4 4.5273 0.2452 -3.5470 N.2 1 noname -0.2610 24 C17 3.4016 -4.0162 -1.7885 C.1 1 noname -0.0264 25 C18 5.2303 -2.0276 -4.1042 C.3 1 noname 0.0469 26 C19 3.3049 -5.2571 -1.5143 C.2 1 noname -0.0258 27 C20 6.5777 -2.2590 -3.4173 C.3 1 noname -0.0597 28 C21 2.2051 -5.7312 -0.7419 C.2 1 noname 0.0130 29 C22 4.3082 -6.1639 -1.9931 C.2 1 noname -0.0243 30 N5 2.1511 -7.0824 -0.4780 N.2 1 noname -0.2633 31 C23 4.2245 -7.5626 -1.7033 C.2 1 noname -0.0315 32 C24 3.1078 -7.9886 -0.9273 C.2 1 noname 0.0173 33 N6 2.9759 -9.2871 -0.6240 N.3 1 noname -0.1209 34 H1 -2.4331 -3.8297 4.5573 H 1 noname 0.0629 35 H2 -1.4567 0.0370 1.4343 H 1 noname 0.0639 36 H3 -3.5517 -1.5990 4.8524 H 1 noname 0.0622 37 H4 1.3440 -2.8184 2.1764 H 1 noname 0.0448 38 H5 1.3144 -3.6635 0.4884 H 1 noname 0.0448 39 H6 -0.2074 -2.7184 -1.1295 H 1 noname 0.0448 40 H7 -1.4575 -1.4684 -0.4666 H 1 noname 0.0448 41 H8 -3.0931 0.3353 3.3163 H 1 noname 0.0623 42 H9 2.4214 -0.9710 1.3243 H 1 noname 0.0448 43 H10 3.1845 -2.3333 0.2631 H 1 noname 0.0448 44 H11 0.4452 -0.5619 -1.9752 H 1 noname 0.0448 45 H12 0.3066 0.1420 -0.2288 H 1 noname 0.0448 46 H13 3.9344 2.2464 -3.0456 H 1 noname 0.1062 47 H14 4.6871 -2.9725 -4.0901 H 1 noname 0.0329 48 H15 5.4257 -1.5254 -5.0516 H 1 noname 0.0329 49 H16 6.4430 -2.2358 -2.3359 H 1 noname 0.0234 50 H17 6.9745 -3.2301 -3.7133 H 1 noname 0.0234 51 H18 7.2756 -1.4758 -3.7133 H 1 noname 0.0234 52 H19 1.4226 -5.0748 -0.3613 H 1 noname 0.0853 53 H20 5.1431 -5.7862 -2.5834 H 1 noname 0.0637 54 H21 4.9751 -8.2696 -2.0567 H 1 noname 0.0656 55 H22 2.0559 -9.6881 -0.5096 H 1 noname 0.1257 56 H23 3.7964 -9.8649 -0.5096 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 1 11 8 12 1 12 9 13 2 13 10 13 1 14 11 14 1 15 12 15 1 16 14 16 1 17 15 16 1 18 16 17 1 19 17 18 2 20 17 19 1 21 18 20 1 22 19 21 1 23 19 22 2 24 20 23 2 25 21 24 3 26 22 25 1 27 22 23 1 28 24 26 1 29 25 27 1 30 26 28 2 31 26 29 1 32 28 30 1 33 29 31 2 34 30 32 2 35 31 32 1 36 32 33 1 37 7 34 1 38 9 35 1 39 10 36 1 40 11 37 1 41 11 38 1 42 12 39 1 43 12 40 1 44 13 41 1 45 14 42 1 46 14 43 1 47 15 44 1 48 15 45 1 49 20 46 1 50 25 47 1 51 25 48 1 52 27 49 1 53 27 50 1 54 27 51 1 55 28 52 1 56 29 53 1 57 31 54 1 58 33 55 1 59 33 56 1 @SUBSTRUCTURE 1 noname 1