@MOLECULE 116182 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -3.4803 -6.0204 0.3404 F 1 noname -0.1548 2 C1 -2.3382 -6.0514 -0.2820 C.2 1 noname 0.0795 3 C2 -1.5324 -4.8833 -0.4348 C.2 1 noname 0.0913 4 C3 -1.8217 -7.2571 -0.8502 C.2 1 noname 0.0265 5 C4 -0.2427 -4.9023 -1.0646 C.2 1 noname 0.0795 6 C5 -2.1210 -3.6205 0.0566 C.2 1 noname 0.0475 7 C6 -0.5481 -7.3104 -1.5425 C.2 1 noname 0.0121 8 F2 0.4782 -3.8210 -1.1253 F 1 noname -0.1548 9 C7 0.2310 -6.1089 -1.6162 C.2 1 noname 0.0265 10 O1 -3.2689 -3.5889 0.5503 O.2 1 noname -0.2879 11 N1 -1.2987 -2.3919 -0.0579 N.3 1 noname -0.0622 12 C8 0.0093 -8.5111 -2.1581 C.2 1 noname 0.0478 13 C9 -1.6837 -1.4171 0.9961 C.3 1 noname 0.0067 14 C10 -1.2890 -1.8211 -1.4463 C.3 1 noname 0.0067 15 N2 1.1991 -8.3950 -2.8713 N.2 1 noname -0.2213 16 C11 -0.5502 -9.8337 -2.0848 C.2 1 noname 0.0415 17 C12 -0.5045 -0.4195 1.1350 C.3 1 noname -0.0317 18 C13 -0.4166 -0.5424 -1.5944 C.3 1 noname -0.0317 19 C14 1.8434 -9.4390 -3.4648 C.2 1 noname 0.0456 20 C15 -1.6491 -10.1327 -1.4765 C.1 1 noname -0.0100 21 C16 0.1249 -10.9071 -2.6978 C.2 1 noname 0.0371 22 C17 -0.0061 0.1270 -0.2426 C.3 1 noname -0.0018 23 N3 1.2925 -10.6786 -3.3609 N.2 1 noname -0.2300 24 C18 -2.6734 -10.2747 -0.8795 C.1 1 noname -0.0269 25 C19 -0.4240 -12.2579 -2.6227 C.3 1 noname 0.0467 26 C20 1.4938 0.4151 -0.2133 C.3 1 noname 0.0049 27 C21 -0.2046 1.6310 -0.3657 C.3 1 noname 0.0049 28 C22 -3.7981 -10.4110 -0.2153 C.2 1 noname -0.0258 29 C23 -0.6967 -12.7769 -4.0360 C.3 1 noname -0.0597 30 N4 1.2483 1.8506 -0.4156 N.3 1 noname -0.3051 31 C24 -3.7869 -10.3499 1.2090 C.2 1 noname 0.0129 32 C25 -5.0030 -10.6754 -0.9298 C.2 1 noname -0.0243 33 C26 1.6706 2.5895 0.7731 C.3 1 noname -0.0133 34 N5 -5.0007 -10.5678 1.8195 N.2 1 noname -0.2633 35 C27 -6.2332 -10.8944 -0.2662 C.2 1 noname -0.0315 36 C28 -6.1844 -10.8304 1.1601 C.2 1 noname 0.0173 37 N6 -7.3046 -11.0282 1.8683 N.3 1 noname -0.1209 38 H1 -2.4178 -8.1644 -0.7524 H 1 noname 0.0660 39 H2 1.2063 -6.1128 -2.1029 H 1 noname 0.0660 40 H3 -2.5458 -0.8694 0.6154 H 1 noname 0.0436 41 H4 -1.7623 -1.9783 1.9272 H 1 noname 0.0436 42 H5 -0.8233 -2.5872 -2.0662 H 1 noname 0.0436 43 H6 -2.3184 -1.5174 -1.6367 H 1 noname 0.0436 44 H7 -0.9017 0.4386 1.6771 H 1 noname 0.0286 45 H8 0.3235 -0.9924 1.5526 H 1 noname 0.0286 46 H9 0.5138 -0.8750 -2.0547 H 1 noname 0.0286 47 H10 -1.0479 0.1847 -2.1052 H 1 noname 0.0286 48 H11 2.7756 -9.2863 -4.0087 H 1 noname 0.1061 49 H12 0.3619 -12.8773 -2.1905 H 1 noname 0.0329 50 H13 -1.3843 -12.1635 -2.1157 H 1 noname 0.0329 51 H14 1.9043 0.2420 0.7816 H 1 noname 0.0436 52 H15 1.9887 -0.0071 -1.0879 H 1 noname 0.0436 53 H16 -0.6548 1.8858 -1.3252 H 1 noname 0.0436 54 H17 -0.6143 2.0451 0.5556 H 1 noname 0.0436 55 H18 -0.6954 -13.8669 -4.0293 H 1 noname 0.0234 56 H19 -1.6683 -12.4167 -4.3741 H 1 noname 0.0234 57 H20 0.0794 -12.4167 -4.7113 H 1 noname 0.0234 58 H21 -2.8950 -10.1467 1.8016 H 1 noname 0.0853 59 H22 -4.9829 -10.7113 -2.0190 H 1 noname 0.0637 60 H23 1.9495 1.8865 1.5580 H 1 noname 0.0394 61 H24 2.5273 3.2165 0.5258 H 1 noname 0.0394 62 H25 0.8500 3.2165 1.1217 H 1 noname 0.0394 63 H26 -7.1530 -11.0980 -0.8145 H 1 noname 0.0656 64 H27 -7.8789 -10.2415 2.1352 H 1 noname 0.1257 65 H28 -7.5746 -11.9642 2.1352 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 22 27 1 30 24 28 1 31 25 29 1 32 26 30 1 33 27 30 1 34 28 31 2 35 28 32 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 26 52 1 57 27 53 1 58 27 54 1 59 29 55 1 60 29 56 1 61 29 57 1 62 31 58 1 63 32 59 1 64 33 60 1 65 33 61 1 66 33 62 1 67 35 63 1 68 37 64 1 69 37 65 1 @SUBSTRUCTURE 1 noname 1