@MOLECULE 127379 59 64 1 SMALL USER_CHARGES @ATOM 1 F1 10.2574 4.9359 -0.1784 F 1 noname -0.1696 2 C1 8.9676 4.4902 -0.3099 C.3 1 noname 0.4010 3 F2 8.5627 3.9095 0.8642 F 1 noname -0.1696 4 F3 8.1463 5.5479 -0.6037 F 1 noname -0.1696 5 C2 8.8965 3.4604 -1.4392 C.3 1 noname 0.0950 6 N1 7.5211 2.9851 -1.5795 N.3 1 noname -0.2948 7 C3 6.6242 4.1402 -1.9003 C.3 1 noname 0.0001 8 C4 7.5037 1.7472 -2.4267 C.3 1 noname 0.0001 9 C5 5.3120 3.7774 -2.6542 C.3 1 noname -0.0237 10 C6 6.8411 1.9148 -3.8188 C.3 1 noname -0.0237 11 C7 5.4370 2.6020 -3.6888 C.3 1 noname 0.0260 12 N2 4.2970 1.7146 -3.6837 N.3 1 noname -0.0966 13 C8 4.1952 0.4784 -3.1184 C.2 1 noname 0.1315 14 C9 3.1272 1.9612 -4.3112 C.2 1 noname 0.0661 15 O1 5.0928 -0.0731 -2.4456 O.2 1 noname -0.2509 16 N3 2.9914 -0.0665 -3.3861 N.3 1 noname -0.1028 17 C10 2.6745 3.0454 -5.0971 C.2 1 noname 0.0544 18 C11 2.3133 0.8492 -4.0843 C.2 1 noname 0.0538 19 C12 2.5385 -1.3465 -3.0055 C.3 1 noname 0.0008 20 N4 3.4429 4.0886 -5.5101 N.2 1 noname -0.2159 21 C13 1.3105 2.9848 -5.5281 C.2 1 noname 0.0284 22 C14 0.9778 0.8008 -4.5311 C.2 1 noname 0.0381 23 C15 2.9507 5.0772 -6.3226 C.2 1 noname 0.0261 24 N5 0.5328 1.8953 -5.2172 N.2 1 noname -0.2296 25 C16 0.7746 4.0125 -6.3214 C.2 1 noname 0.0051 26 C17 3.8188 6.1007 -6.7474 C.2 1 noname -0.0027 27 C18 1.5952 5.0708 -6.7228 C.2 1 noname -0.0011 28 C19 4.9137 6.5016 -5.9037 C.2 1 noname 0.0165 29 C20 3.6306 6.7542 -8.0221 C.2 1 noname -0.0083 30 N6 5.7287 7.5100 -6.3663 N.2 1 noname -0.2409 31 C21 4.4828 7.7972 -8.4687 C.2 1 noname 0.0072 32 C22 5.5410 8.1425 -7.5855 C.2 1 noname 0.0346 33 C23 4.5943 8.0700 -9.8271 C.2 1 noname -0.0389 34 C24 6.4376 9.1325 -7.9702 C.2 1 noname -0.0151 35 C25 5.7409 8.6807 -10.3215 C.2 1 noname -0.0590 36 C26 6.5563 9.3994 -9.3738 C.2 1 noname -0.0514 37 H1 9.1323 3.9763 -2.3700 H 1 noname 0.0524 38 H2 9.4834 2.5947 -1.1322 H 1 noname 0.0524 39 H3 6.3201 4.5325 -0.9299 H 1 noname 0.0431 40 H4 7.2057 4.7615 -2.5814 H 1 noname 0.0431 41 H5 8.5533 1.5205 -2.6142 H 1 noname 0.0431 42 H6 6.8831 1.0395 -1.8771 H 1 noname 0.0431 43 H7 4.6262 3.4220 -1.8851 H 1 noname 0.0296 44 H8 5.0623 4.6616 -3.2406 H 1 noname 0.0296 45 H9 7.4755 2.6020 -4.3786 H 1 noname 0.0296 46 H10 6.6631 0.9076 -4.1958 H 1 noname 0.0296 47 H11 5.2858 3.0359 -4.6772 H 1 noname 0.0477 48 H12 2.5144 -1.4148 -1.9179 H 1 noname 0.0404 49 H13 1.5366 -1.5101 -3.4022 H 1 noname 0.0404 50 H14 3.2146 -2.1039 -3.4022 H 1 noname 0.0404 51 H15 0.3169 -0.0475 -4.3534 H 1 noname 0.0857 52 H16 -0.2723 3.9888 -6.6239 H 1 noname 0.0646 53 H17 1.1866 5.8745 -7.3352 H 1 noname 0.0646 54 H18 5.1217 6.0505 -4.9335 H 1 noname 0.0846 55 H19 2.8123 6.4478 -8.6737 H 1 noname 0.0637 56 H20 3.7825 7.8051 -10.5046 H 1 noname 0.0629 57 H21 7.0137 9.6680 -7.2156 H 1 noname 0.0645 58 H22 5.9842 8.6012 -11.3810 H 1 noname 0.0622 59 H23 7.2671 10.1494 -9.7207 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 1 18 14 18 2 19 16 19 1 20 16 18 1 21 17 20 2 22 17 21 1 23 18 22 1 24 20 23 1 25 21 24 1 26 21 25 2 27 22 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 1 32 26 29 2 33 28 30 2 34 29 31 1 35 30 32 1 36 31 33 2 37 31 32 1 38 32 34 2 39 33 35 1 40 34 36 1 41 35 36 2 42 5 37 1 43 5 38 1 44 7 39 1 45 7 40 1 46 8 41 1 47 8 42 1 48 9 43 1 49 9 44 1 50 10 45 1 51 10 46 1 52 11 47 1 53 19 48 1 54 19 49 1 55 19 50 1 56 22 51 1 57 25 52 1 58 27 53 1 59 28 54 1 60 29 55 1 61 33 56 1 62 34 57 1 63 35 58 1 64 36 59 1 @SUBSTRUCTURE 1 noname 1