@MOLECULE 178277 73 77 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3006 2.3449 -7.6950 F 1 noname -0.1578 2 C1 0.9008 1.9969 -7.3371 C.2 1 noname 0.0558 3 C2 1.6783 1.2136 -8.1821 C.2 1 noname 0.0423 4 C3 1.4070 2.4085 -6.1097 C.2 1 noname 0.0299 5 N1 1.1904 0.8168 -9.3653 N.3 1 noname -0.0972 6 C4 2.9619 0.8418 -7.7997 C.2 1 noname -0.0096 7 C5 2.6906 2.0367 -5.7272 C.2 1 noname -0.0125 8 C6 2.0196 0.6155 -10.3985 C.2 1 noname 0.1318 9 C7 3.4680 1.2533 -6.5722 C.2 1 noname -0.0238 10 C8 3.1967 2.4482 -4.4998 C.2 1 noname 0.0740 11 O1 1.5644 0.2454 -11.5023 O.2 1 noname -0.2320 12 O2 3.3466 0.8123 -10.2473 O.3 1 noname -0.1842 13 N2 2.3851 2.6609 -3.4344 N.2 1 noname -0.2346 14 C9 4.5629 2.6610 -4.3090 C.2 1 noname 0.0430 15 C10 4.2253 0.5990 -11.3422 C.3 1 noname 0.0889 16 C11 2.8161 3.0668 -2.2021 C.2 1 noname 0.1041 17 C12 5.4005 2.4389 -5.4982 C.2 1 noname 0.0384 18 C13 5.0626 3.0305 -3.0367 C.2 1 noname 0.1077 19 C14 5.6628 0.8903 -10.9067 C.3 1 noname 0.0699 20 C15 4.1179 -0.8549 -11.8065 C.3 1 noname -0.0357 21 N3 4.1651 3.2177 -2.0146 N.2 1 noname -0.2059 22 N4 1.8644 3.3182 -1.2163 N.3 1 noname -0.0527 23 O3 5.4017 1.3853 -6.1707 O.2 1 noname -0.2883 24 N5 6.2356 3.6112 -5.7962 N.3 1 noname -0.0608 25 O4 6.4205 3.1402 -2.7180 O.3 1 noname -0.2253 26 O5 5.7625 2.2397 -10.4757 O.3 1 noname -0.3935 27 C16 0.5963 3.9366 -1.6271 C.3 1 noname 0.0325 28 C17 2.1267 2.9220 0.1756 C.3 1 noname 0.0325 29 C18 7.4854 3.3884 -5.0673 C.3 1 noname 0.0353 30 C19 5.9040 4.7140 -6.6099 C.3 1 noname 0.0034 31 C20 7.3470 3.8588 -3.5849 C.3 1 noname 0.0843 32 C21 -0.2092 4.5583 -0.4240 C.3 1 noname 0.0713 33 C22 1.1671 3.6582 1.1945 C.3 1 noname 0.0713 34 C23 6.3316 4.4310 -8.0514 C.3 1 noname -0.0519 35 C24 8.7299 3.8992 -2.9315 C.3 1 noname -0.0342 36 C25 6.7671 5.2713 -3.6816 C.3 1 noname -0.0342 37 O6 0.7326 4.9141 0.6151 O.3 1 noname -0.3721 38 C26 -1.1034 3.5375 0.3029 C.3 1 noname -0.0229 39 C27 -0.1844 2.9435 1.3918 C.3 1 noname -0.0229 40 H1 0.7973 3.0228 -5.4470 H 1 noname 0.0660 41 H2 0.1976 0.6695 -9.4785 H 1 noname 0.1397 42 H3 3.5716 0.2275 -8.4623 H 1 noname 0.0640 43 H4 4.4746 0.9618 -6.2724 H 1 noname 0.0630 44 H5 3.8967 1.2901 -12.1184 H 1 noname 0.0631 45 H6 5.8774 0.2868 -10.0248 H 1 noname 0.0590 46 H7 6.3032 0.8178 -11.7857 H 1 noname 0.0590 47 H8 4.0694 -1.5112 -10.9376 H 1 noname 0.0258 48 H9 3.2163 -0.9791 -12.4064 H 1 noname 0.0258 49 H10 4.9914 -1.1102 -12.4064 H 1 noname 0.0258 50 H11 5.7647 2.2698 -9.5162 H 1 noname 0.2101 51 H12 0.8894 4.7589 -2.2797 H 1 noname 0.0462 52 H13 0.0029 3.1121 -2.0222 H 1 noname 0.0462 53 H14 1.8912 1.8584 0.2127 H 1 noname 0.0462 54 H15 3.1424 3.2627 0.3765 H 1 noname 0.0462 55 H16 7.6271 2.3077 -5.0597 H 1 noname 0.0465 56 H17 8.2209 4.0312 -5.5511 H 1 noname 0.0465 57 H18 4.8160 4.7748 -6.5839 H 1 noname 0.0433 58 H19 6.5052 5.5415 -6.2333 H 1 noname 0.0433 59 H20 -0.7750 5.4118 -0.7976 H 1 noname 0.0616 60 H21 1.7168 3.7879 2.1268 H 1 noname 0.0616 61 H22 6.3791 3.3539 -8.2115 H 1 noname 0.0243 62 H23 5.6070 4.8688 -8.7379 H 1 noname 0.0243 63 H24 7.3134 4.8688 -8.2317 H 1 noname 0.0243 64 H25 8.6196 3.8959 -1.8471 H 1 noname 0.0260 65 H26 9.3036 3.0256 -3.2409 H 1 noname 0.0260 66 H27 9.2516 4.8048 -3.2409 H 1 noname 0.0260 67 H28 6.6048 5.6668 -2.6790 H 1 noname 0.0260 68 H29 7.4651 5.9147 -4.2174 H 1 noname 0.0260 69 H30 5.8184 5.2387 -4.2174 H 1 noname 0.0260 70 H31 -1.9024 4.0871 0.8005 H 1 noname 0.0294 71 H32 -1.3459 2.7427 -0.4025 H 1 noname 0.0294 72 H33 -0.0383 1.8874 1.1651 H 1 noname 0.0294 73 H34 -0.5804 3.2430 2.3621 H 1 noname 0.0294 @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 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 15 12 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 1 20 15 20 1 21 16 21 2 22 16 22 1 23 17 23 2 24 17 24 1 25 18 25 1 26 18 21 1 27 19 26 1 28 22 27 1 29 22 28 1 30 24 29 1 31 24 30 1 32 25 31 1 33 27 32 1 34 28 33 1 35 29 31 1 36 30 34 1 37 31 35 1 38 31 36 1 39 32 37 1 40 32 38 1 41 33 39 1 42 33 37 1 43 38 39 1 44 4 40 1 45 5 41 1 46 6 42 1 47 9 43 1 48 15 44 1 49 19 45 1 50 19 46 1 51 20 47 1 52 20 48 1 53 20 49 1 54 26 50 1 55 27 51 1 56 27 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 32 59 1 64 33 60 1 65 34 61 1 66 34 62 1 67 34 63 1 68 35 64 1 69 35 65 1 70 35 66 1 71 36 67 1 72 36 68 1 73 36 69 1 74 38 70 1 75 38 71 1 76 39 72 1 77 39 73 1 @SUBSTRUCTURE 1 noname 1