@MOLECULE 236556 49 53 1 SMALL USER_CHARGES @ATOM 1 F1 1.0391 -5.7920 5.3864 F 1 noname -0.1661 2 C1 1.3099 -5.3589 4.0804 C.3 1 noname 0.4161 3 F2 2.4106 -6.0193 3.5989 F 1 noname -0.1661 4 F3 0.1700 -5.5712 3.3487 F 1 noname -0.1661 5 C2 1.6026 -3.9375 4.1806 C.2 1 noname -0.0002 6 C3 0.5682 -2.9336 4.0972 C.2 1 noname 0.0068 7 C4 2.9480 -3.5670 4.4600 C.2 1 noname -0.0210 8 C5 0.8178 -1.5384 4.3426 C.2 1 noname -0.0069 9 C6 3.3050 -2.2212 4.7179 C.2 1 noname -0.0423 10 N1 -0.1804 -0.4483 4.3133 N.3 1 noname -0.0969 11 C7 2.2289 -1.3001 4.6575 C.2 1 noname -0.0248 12 C8 0.3497 0.8536 4.4141 C.2 1 noname 0.0923 13 C9 -1.6185 -0.4904 4.1857 C.2 1 noname 0.0834 14 O1 1.5260 1.2688 4.5233 O.2 1 noname -0.2627 15 N2 -0.3452 1.9811 4.3936 N.3 1 noname 0.0942 16 C10 -2.5428 -1.6262 4.0744 C.2 1 noname 0.0629 17 C11 -2.3348 0.7871 4.1579 C.2 1 noname 0.0648 18 C12 -1.6538 2.0153 4.2715 C.2 1 noname 0.0734 19 N3 -2.2719 -2.9753 4.0742 N.2 1 noname -0.2139 20 C13 -3.9670 -1.3623 3.9609 C.2 1 noname 0.0419 21 C14 -3.7339 0.9552 4.0219 C.2 1 noname 0.0545 22 O2 -2.1283 3.1909 4.2777 O.2 1 noname -0.2844 23 C15 -3.1976 -4.0068 3.9862 C.2 1 noname 0.0263 24 N4 -4.5035 -0.1384 3.9306 N.2 1 noname -0.2226 25 C16 -4.9655 -2.3552 3.8625 C.2 1 noname 0.0091 26 C17 -2.8080 -5.3796 4.0149 C.2 1 noname 0.0176 27 C18 -4.5792 -3.6944 3.8750 C.2 1 noname 0.0004 28 C19 -1.8848 -5.7553 5.0219 C.2 1 noname 0.0307 29 C20 -3.2789 -6.3687 3.0921 C.2 1 noname -0.0061 30 N5 -1.4000 -7.0365 4.9792 N.2 1 noname -0.2107 31 C21 -2.7779 -7.6937 3.0722 C.2 1 noname 0.0180 32 C22 -1.7800 -7.9895 4.0512 C.2 1 noname 0.0421 33 C23 -1.1191 -9.2448 4.1148 C.2 1 noname 0.1263 34 O3 0.1300 -9.2675 4.2560 O.2 1 noname -0.2867 35 C24 -1.7499 -10.5597 4.0855 C.3 1 noname 0.0007 36 H1 -0.4445 -3.2423 3.8378 H 1 noname 0.0645 37 H2 3.7238 -4.3324 4.4769 H 1 noname 0.0628 38 H3 4.3272 -1.9183 4.9450 H 1 noname 0.0623 39 H4 2.5248 -0.2755 4.8824 H 1 noname 0.0639 40 H5 0.1475 2.8590 4.4750 H 1 noname 0.1418 41 H6 -4.2203 1.9301 3.9873 H 1 noname 0.0848 42 H7 -6.0197 -2.0915 3.7780 H 1 noname 0.0646 43 H8 -5.3361 -4.4752 3.8001 H 1 noname 0.0646 44 H9 -1.5562 -5.0766 5.8090 H 1 noname 0.0846 45 H10 -4.0531 -6.1011 2.3730 H 1 noname 0.0631 46 H11 -3.1347 -8.4328 2.3549 H 1 noname 0.0646 47 H12 -1.9159 -10.9058 5.1056 H 1 noname 0.0314 48 H13 -2.7050 -10.4929 3.5644 H 1 noname 0.0314 49 H14 -1.1001 -11.2628 3.5644 H 1 noname 0.0314 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 16 19 2 20 16 20 1 21 17 21 1 22 17 18 1 23 18 22 2 24 19 23 1 25 20 24 1 26 20 25 2 27 21 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 32 1 37 32 33 1 38 33 34 2 39 33 35 1 40 6 36 1 41 7 37 1 42 9 38 1 43 11 39 1 44 15 40 1 45 21 41 1 46 25 42 1 47 27 43 1 48 28 44 1 49 29 45 1 50 31 46 1 51 35 47 1 52 35 48 1 53 35 49 1 @SUBSTRUCTURE 1 noname 1