@MOLECULE 178260 64 68 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3945 2.2201 -7.6015 F 1 noname -0.1580 2 C1 0.8257 1.9158 -7.2682 C.2 1 noname 0.0539 3 C2 1.6187 1.1738 -8.1358 C.2 1 noname 0.0417 4 C3 1.3364 2.3326 -6.0444 C.2 1 noname 0.0296 5 N1 1.1264 0.7719 -9.3155 N.3 1 noname -0.1228 6 C4 2.9224 0.8486 -7.7796 C.2 1 noname -0.0114 7 C5 2.6400 2.0074 -5.6883 C.2 1 noname -0.0140 8 C6 1.9449 0.6157 -10.3649 C.2 1 noname 0.0391 9 C7 3.4330 1.2655 -6.5559 C.2 1 noname -0.0241 10 C8 3.1507 2.4243 -4.4645 C.2 1 noname 0.0739 11 O1 1.4857 0.2409 -11.4654 O.2 1 noname -0.2746 12 N2 3.2557 0.8613 -10.2346 N.3 1 noname -0.0605 13 N3 2.3499 2.5921 -3.3831 N.2 1 noname -0.2347 14 C9 4.5106 2.6887 -4.2941 C.2 1 noname 0.0430 15 C10 4.1170 0.6970 -11.3388 C.3 1 noname -0.0076 16 C11 2.7858 3.0003 -2.1532 C.2 1 noname 0.1041 17 C12 5.3356 2.5139 -5.4998 C.2 1 noname 0.0378 18 C13 5.0173 3.0628 -3.0258 C.2 1 noname 0.1076 19 N4 4.1308 3.2023 -1.9866 N.2 1 noname -0.2059 20 N5 1.8421 3.2022 -1.1486 N.3 1 noname -0.0527 21 O2 5.3667 1.4691 -6.1853 O.2 1 noname -0.2885 22 N6 6.1186 3.7218 -5.7973 N.3 1 noname -0.0628 23 O3 6.3751 3.2224 -2.7286 O.3 1 noname -0.2253 24 C14 0.5438 3.7746 -1.5302 C.3 1 noname 0.0325 25 C15 2.1438 2.8004 0.2337 C.3 1 noname 0.0325 26 C16 7.3886 3.5401 -5.0923 C.3 1 noname 0.0351 27 C17 5.7298 4.8200 -6.5915 C.3 1 noname -0.0053 28 C18 7.2574 3.9872 -3.6021 C.3 1 noname 0.0843 29 C19 -0.2647 4.3498 -0.3062 C.3 1 noname 0.0713 30 C20 1.1737 3.4860 1.2777 C.3 1 noname 0.0713 31 C21 8.6487 4.0746 -2.9715 C.3 1 noname -0.0342 32 C22 6.6208 5.3767 -3.6715 C.3 1 noname -0.0342 33 O4 0.6801 4.7304 0.7213 O.3 1 noname -0.3721 34 C23 -1.1053 3.2859 0.4230 C.3 1 noname -0.0229 35 C24 -0.1449 2.7161 1.4888 C.3 1 noname -0.0229 36 H1 0.7145 2.9144 -5.3641 H 1 noname 0.0660 37 H2 0.1384 0.5868 -9.4138 H 1 noname 0.1386 38 H3 3.5442 0.2668 -8.4600 H 1 noname 0.0640 39 H4 4.4553 1.0105 -6.2766 H 1 noname 0.0630 40 H5 3.5856 1.1622 -9.3286 H 1 noname 0.1320 41 H6 4.2653 -0.3660 -11.5288 H 1 noname 0.0397 42 H7 3.6741 1.1649 -12.2179 H 1 noname 0.0397 43 H8 5.0776 1.1649 -11.1232 H 1 noname 0.0397 44 H9 0.7929 4.6155 -2.1774 H 1 noname 0.0462 45 H10 -0.0235 2.9320 -1.9255 H 1 noname 0.0462 46 H11 1.9511 1.7279 0.2616 H 1 noname 0.0462 47 H12 3.1487 3.1786 0.4218 H 1 noname 0.0462 48 H13 7.5729 2.4659 -5.1005 H 1 noname 0.0465 49 H14 8.0897 4.2171 -5.5803 H 1 noname 0.0465 50 H15 5.4364 5.6487 -5.9470 H 1 noname 0.0399 51 H16 6.5651 5.1272 -7.2207 H 1 noname 0.0399 52 H17 4.8872 4.5332 -7.2207 H 1 noname 0.0399 53 H18 -0.8701 5.1845 -0.6595 H 1 noname 0.0616 54 H19 1.7339 3.6264 2.2021 H 1 noname 0.0616 55 H20 8.5564 4.0688 -1.8855 H 1 noname 0.0260 56 H21 9.2463 3.2204 -3.2900 H 1 noname 0.0260 57 H22 9.1346 4.9969 -3.2900 H 1 noname 0.0260 58 H23 6.4502 5.7490 -2.6613 H 1 noname 0.0260 59 H24 7.2884 6.0562 -4.2012 H 1 noname 0.0260 60 H25 5.6702 5.3148 -4.2012 H 1 noname 0.0260 61 H26 -1.9166 3.7976 0.9407 H 1 noname 0.0294 62 H27 -1.3284 2.4906 -0.2881 H 1 noname 0.0294 63 H28 0.0387 1.6693 1.2466 H 1 noname 0.0294 64 H29 -0.5356 2.9882 2.4693 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 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 16 19 2 20 16 20 1 21 17 21 2 22 17 22 1 23 18 23 1 24 18 19 1 25 20 24 1 26 20 25 1 27 22 26 1 28 22 27 1 29 23 28 1 30 24 29 1 31 25 30 1 32 26 28 1 33 28 31 1 34 28 32 1 35 29 33 1 36 29 34 1 37 30 35 1 38 30 33 1 39 34 35 1 40 4 36 1 41 5 37 1 42 6 38 1 43 9 39 1 44 12 40 1 45 15 41 1 46 15 42 1 47 15 43 1 48 24 44 1 49 24 45 1 50 25 46 1 51 25 47 1 52 26 48 1 53 26 49 1 54 27 50 1 55 27 51 1 56 27 52 1 57 29 53 1 58 30 54 1 59 31 55 1 60 31 56 1 61 31 57 1 62 32 58 1 63 32 59 1 64 32 60 1 65 34 61 1 66 34 62 1 67 35 63 1 68 35 64 1 @SUBSTRUCTURE 1 noname 1