@MOLECULE 117779453 74 79 1 SMALL USER_CHARGES @ATOM 1 F1 -4.9696 -9.0697 -3.8050 F 1 noname -0.2067 2 F2 -3.1020 -10.1258 -3.1366 F 1 noname -0.2067 3 F3 -12.5276 -16.3499 -9.8875 F 1 noname -0.1650 4 O1 -6.6095 -11.6425 1.1886 O.2 1 noname -0.2950 5 O2 -13.8706 -17.6271 -3.6719 O.3 1 noname -0.3506 6 O3 -17.8308 -20.3014 -2.3377 O.2 1 noname -0.2987 7 N1 -5.4367 -11.7045 -0.8697 N.3 1 noname -0.0677 8 N2 -16.6240 -18.3111 -2.9844 N.3 1 noname -0.0759 9 N3 -22.2093 -16.8228 -5.2861 N.2 1 noname -0.2671 10 N4 -24.4753 -16.9307 -5.8668 N.3 1 noname -0.1200 11 C1 -4.4544 -10.0059 -2.9461 C.3 1 noname 0.2503 12 C2 -4.5975 -9.4964 -1.4711 C.3 1 noname 0.0244 13 C3 -5.0266 -11.4181 -3.3088 C.3 1 noname 0.0244 14 C4 -4.5366 -10.6292 -0.4092 C.3 1 noname 0.0118 15 C5 -5.0243 -12.4244 -2.1163 C.3 1 noname 0.0118 16 C6 -6.6191 -11.9735 -0.0167 C.2 1 noname 0.0147 17 C7 -7.8030 -12.6300 -0.5902 C.2 1 noname -0.0104 18 C8 -9.8576 -14.2373 -1.6530 C.2 1 noname -0.0240 19 C9 -8.2536 -12.3482 -1.9200 C.2 1 noname -0.0134 20 C10 -8.4025 -13.5915 0.2689 C.2 1 noname -0.0134 21 C11 -10.8557 -15.1351 -2.2412 C.2 1 noname -0.0277 22 C12 -12.7293 -16.7186 -2.0143 C.2 1 noname 0.0122 23 C13 -12.8403 -16.7892 -3.4091 C.2 1 noname 0.0428 24 C14 -9.2789 -13.1749 -2.4437 C.2 1 noname -0.0326 25 C15 -9.4365 -14.3962 -0.2751 C.2 1 noname -0.0326 26 C16 -11.9874 -16.0848 -4.3159 C.2 1 noname 0.0181 27 C17 -11.7485 -15.9021 -1.4299 C.2 1 noname -0.0227 28 C18 -11.0047 -15.2776 -3.6669 C.2 1 noname -0.0199 29 C19 -13.6840 -17.5121 -1.4051 C.2 1 noname 0.0211 30 C20 -14.3693 -18.0616 -2.4829 C.2 1 noname 0.0579 31 C21 -12.1087 -16.1478 -5.7591 C.2 1 noname -0.0408 32 C22 -15.4912 -18.9857 -2.3375 C.3 1 noname 0.0502 33 C23 -13.4124 -16.2960 -6.3637 C.2 1 noname -0.0242 34 C24 -10.9504 -16.0623 -6.6278 C.2 1 noname -0.0242 35 C25 -13.5700 -16.3684 -7.7829 C.2 1 noname -0.0027 36 C26 -11.0826 -16.1285 -8.0494 C.2 1 noname -0.0027 37 C27 -12.3955 -16.2834 -8.5949 C.2 1 noname 0.0293 38 C28 -17.7971 -19.1778 -2.8843 C.2 1 noname 0.0162 39 C29 -18.8761 -18.5367 -3.5039 C.2 1 noname 0.0277 40 C30 -20.0481 -19.1809 -3.5128 C.2 1 noname -0.0156 41 C31 -21.1494 -18.6231 -4.0974 C.2 1 noname -0.0462 42 C32 -22.3847 -19.3385 -4.0886 C.2 1 noname -0.0351 43 C33 -21.0833 -17.3266 -4.7213 C.2 1 noname 0.0023 44 C34 -23.5523 -18.7894 -4.6875 C.2 1 noname -0.0353 45 C35 -23.4094 -17.4992 -5.2868 C.2 1 noname 0.0215 46 H1 -3.8196 -8.7616 -1.2635 H 1 noname 0.0341 47 H2 -4.4590 -11.8377 -4.1394 H 1 noname 0.0341 48 H3 -6.0721 -11.2642 -3.5761 H 1 noname 0.0341 49 H4 -5.5927 -9.0586 -1.3942 H 1 noname 0.0341 50 H5 -4.0215 -12.8312 -1.9861 H 1 noname 0.0438 51 H6 -5.7186 -13.2290 -2.3585 H 1 noname 0.0438 52 H7 -3.5179 -11.0114 -0.3436 H 1 noname 0.0438 53 H8 -4.8628 -10.1978 0.5371 H 1 noname 0.0438 54 H9 -7.8540 -11.5854 -2.4666 H 1 noname 0.0630 55 H10 -8.1012 -13.6983 1.2375 H 1 noname 0.0630 56 H11 -9.6138 -13.0175 -3.3942 H 1 noname 0.0629 57 H12 -9.8900 -15.0965 0.3117 H 1 noname 0.0629 58 H13 -11.6718 -15.8554 -0.4138 H 1 noname 0.0636 59 H14 -10.3561 -14.7604 -4.2603 H 1 noname 0.0636 60 H15 -13.8459 -17.6584 -0.4087 H 1 noname 0.0654 61 H16 -15.7096 -19.1284 -1.2792 H 1 noname 0.0504 62 H17 -15.3614 -19.9420 -2.8442 H 1 noname 0.0504 63 H18 -14.2371 -16.3500 -5.7660 H 1 noname 0.0630 64 H19 -10.0236 -15.9528 -6.2163 H 1 noname 0.0630 65 H20 -16.5983 -17.4382 -3.4067 H 1 noname 0.1317 66 H21 -14.4926 -16.4776 -8.2038 H 1 noname 0.0653 67 H22 -10.2652 -16.0671 -8.6565 H 1 noname 0.0653 68 H23 -18.7759 -17.6433 -3.9185 H 1 noname 0.0674 69 H24 -20.1184 -20.0734 -3.0902 H 1 noname 0.0631 70 H25 -22.4308 -20.2566 -3.6466 H 1 noname 0.0630 71 H26 -20.2103 -16.7994 -4.7382 H 1 noname 0.0846 72 H27 -24.4420 -19.2884 -4.6893 H 1 noname 0.0656 73 H28 -24.2247 -16.0650 -6.2257 H 1 noname 0.1257 74 H29 -25.1789 -16.8167 -5.2090 H 1 noname 0.1257 @BOND 1 1 11 1 2 2 11 1 3 3 37 1 4 4 16 2 5 5 23 1 6 5 30 1 7 6 38 2 8 7 14 1 9 7 15 1 10 7 16 1 11 8 32 1 12 8 38 1 13 8 65 1 14 9 43 1 15 9 45 2 16 10 45 1 17 10 73 1 18 10 74 1 19 11 12 1 20 11 13 1 21 12 14 1 22 12 46 1 23 12 49 1 24 13 15 1 25 13 47 1 26 13 48 1 27 14 52 1 28 14 53 1 29 15 50 1 30 15 51 1 31 16 17 1 32 17 19 2 33 17 20 1 34 18 21 1 35 18 24 2 36 18 25 1 37 19 24 1 38 19 54 1 39 20 25 2 40 20 55 1 41 21 27 1 42 21 28 2 43 22 23 1 44 22 27 2 45 22 29 1 46 23 26 2 47 24 56 1 48 25 57 1 49 26 28 1 50 26 31 1 51 27 58 1 52 28 59 1 53 29 30 2 54 29 60 1 55 30 32 1 56 31 33 2 57 31 34 1 58 32 61 1 59 32 62 1 60 33 35 1 61 33 63 1 62 34 36 2 63 34 64 1 64 35 37 2 65 35 66 1 66 36 37 1 67 36 67 1 68 38 39 1 69 39 40 2 70 39 68 1 71 40 41 1 72 40 69 1 73 41 42 1 74 41 43 2 75 42 44 2 76 42 70 1 77 43 71 1 78 44 45 1 79 44 72 1 @SUBSTRUCTURE 1 noname 1