@MOLECULE 174739 62 66 1 SMALL USER_CHARGES @ATOM 1 F1 4.9742 2.2302 -5.6864 F 1 noname -0.1661 2 C1 6.0356 1.6034 -5.0862 C.3 1 noname 0.4161 3 F2 6.0219 0.2711 -5.4095 F 1 noname -0.1661 4 F3 7.2062 2.1676 -5.5232 F 1 noname -0.1661 5 C2 5.9339 1.7537 -3.6375 C.2 1 noname 0.0031 6 C3 4.8053 1.2509 -2.9247 C.2 1 noname 0.0137 7 C4 6.9623 2.4091 -2.8919 C.2 1 noname -0.0086 8 C5 4.7200 1.4024 -1.4875 C.2 1 noname -0.0090 9 C6 6.8952 2.5845 -1.4738 C.2 1 noname -0.0390 10 C7 3.6123 0.8996 -0.7499 C.2 1 noname 0.0830 11 C8 5.7613 2.0767 -0.7763 C.2 1 noname -0.0175 12 N1 3.4325 1.0245 0.6002 N.2 1 noname -0.2170 13 N2 2.6451 0.2614 -1.4258 N.2 1 noname -0.2240 14 C9 2.3165 0.5868 1.2433 C.2 1 noname 0.0564 15 C10 1.4975 -0.1777 -0.8733 C.2 1 noname 0.0617 16 N3 2.2042 0.7269 2.6002 N.2 1 noname -0.2040 17 C11 1.2535 -0.0054 0.5011 C.2 1 noname 0.0083 18 N4 0.6463 -0.6733 -1.7548 N.3 1 noname -0.0854 19 C12 1.0859 0.3518 3.3001 C.2 1 noname 0.0301 20 C13 0.0648 -0.3669 1.2009 C.2 1 noname -0.0086 21 C14 0.6304 -2.0834 -2.0255 C.3 1 noname 0.0365 22 C15 -0.0053 0.3116 -2.5617 C.3 1 noname 0.0284 23 C16 1.0431 0.5033 4.6811 C.2 1 noname -0.0382 24 C17 -0.0290 -0.1927 2.6064 C.2 1 noname -0.0094 25 C18 0.3002 -2.3803 -3.5340 C.3 1 noname 0.0625 26 C19 -0.4100 -2.7624 -1.1324 C.3 1 noname -0.0469 27 C20 0.5056 0.0977 -4.0213 C.3 1 noname 0.0599 28 C21 2.2139 0.4219 5.4259 C.2 1 noname -0.0113 29 C22 -0.1706 0.7362 5.3174 C.2 1 noname -0.0221 30 O1 0.5814 -1.2978 -4.4671 O.3 1 noname -0.3783 31 C23 2.1710 0.5734 6.8070 C.2 1 noname -0.0052 32 C24 -0.2135 0.8877 6.6984 C.2 1 noname -0.0188 33 C25 0.9573 0.8063 7.4432 C.2 1 noname 0.0214 34 C26 3.4007 0.4879 7.5893 C.3 1 noname 0.0708 35 O2 0.9156 0.9535 8.7845 O.3 1 noname -0.2736 36 O3 3.6061 1.7096 8.2833 O.3 1 noname -0.3914 37 C27 0.7208 -0.3142 9.3940 C.3 1 noname 0.0423 38 H1 4.0094 0.7517 -3.4773 H 1 noname 0.0636 39 H2 7.8326 2.7903 -3.4261 H 1 noname 0.0628 40 H3 7.6930 3.0956 -0.9349 H 1 noname 0.0623 41 H4 5.6904 2.2043 0.3039 H 1 noname 0.0630 42 H5 -0.7825 -0.7816 0.6548 H 1 noname 0.0632 43 H6 1.6392 -2.4068 -1.7687 H 1 noname 0.0492 44 H7 -1.0686 0.0749 -2.5237 H 1 noname 0.0459 45 H8 0.3512 1.2772 -2.2029 H 1 noname 0.0459 46 H9 -0.9372 -0.4708 3.1411 H 1 noname 0.0645 47 H10 0.9674 -3.1809 -3.8534 H 1 noname 0.0582 48 H11 -0.7798 -2.5109 -3.6028 H 1 noname 0.0582 49 H12 -0.1547 -2.5958 -0.0859 H 1 noname 0.0247 50 H13 -1.3946 -2.3423 -1.3376 H 1 noname 0.0247 51 H14 -0.4217 -3.8329 -1.3376 H 1 noname 0.0247 52 H15 -0.2348 0.5496 -4.6815 H 1 noname 0.0580 53 H16 1.5394 0.4426 -4.0448 H 1 noname 0.0580 54 H17 3.1656 0.2392 4.9270 H 1 noname 0.0634 55 H18 -1.0887 0.8001 4.7333 H 1 noname 0.0630 56 H19 -1.1652 1.0704 7.1974 H 1 noname 0.0650 57 H20 3.2462 -0.2751 8.3522 H 1 noname 0.0615 58 H21 4.2266 0.3941 6.8842 H 1 noname 0.0615 59 H22 3.5791 1.5486 9.2293 H 1 noname 0.2105 60 H23 0.7379 -0.2027 10.4781 H 1 noname 0.0535 61 H24 -0.2422 -0.7213 9.0858 H 1 noname 0.0535 62 H25 1.5171 -0.9918 9.0858 H 1 noname 0.0535 @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 2 13 10 13 1 14 12 14 1 15 13 15 2 16 14 16 2 17 14 17 1 18 15 18 1 19 15 17 1 20 16 19 1 21 17 20 2 22 21 18 1 23 18 22 1 24 19 23 1 25 19 24 2 26 20 24 1 27 21 25 1 28 21 26 1 29 22 27 1 30 23 28 2 31 23 29 1 32 25 30 1 33 27 30 1 34 28 31 1 35 29 32 2 36 31 33 2 37 31 34 1 38 32 33 1 39 33 35 1 40 34 36 1 41 35 37 1 42 6 38 1 43 7 39 1 44 9 40 1 45 11 41 1 46 20 42 1 47 21 43 1 48 22 44 1 49 22 45 1 50 24 46 1 51 25 47 1 52 25 48 1 53 26 49 1 54 26 50 1 55 26 51 1 56 27 52 1 57 27 53 1 58 28 54 1 59 29 55 1 60 32 56 1 61 34 57 1 62 34 58 1 63 36 59 1 64 37 60 1 65 37 61 1 66 37 62 1 @SUBSTRUCTURE 1 noname 1