@MOLECULE 174642 67 71 1 SMALL USER_CHARGES @ATOM 1 F1 3.3745 2.8410 -5.7633 F 1 noname -0.1708 2 C1 4.6069 2.5824 -5.2212 C.3 1 noname 0.3916 3 F2 5.5278 3.4535 -5.7436 F 1 noname -0.1708 4 F3 4.9756 1.2956 -5.5177 F 1 noname -0.1708 5 C2 4.5432 2.7577 -3.7026 C.3 1 noname 0.0573 6 C3 4.1220 4.2277 -3.3640 C.3 1 noname -0.0284 7 C4 5.8347 2.1617 -3.0547 C.3 1 noname -0.0284 8 C5 5.1724 5.0875 -2.5812 C.3 1 noname 0.0066 9 C6 6.4657 3.0541 -1.9459 C.3 1 noname 0.0066 10 N1 6.4497 4.4297 -2.3871 N.3 1 noname -0.0578 11 C7 7.6246 5.0257 -2.7337 C.2 1 noname 0.0950 12 N2 8.5394 4.3525 -3.4602 N.2 1 noname -0.2307 13 N3 7.9224 6.2976 -2.3930 N.2 1 noname -0.2373 14 C8 9.7115 4.8943 -3.8769 C.2 1 noname 0.0512 15 C9 9.0956 6.8966 -2.7301 C.2 1 noname 0.0565 16 N4 10.5331 4.1433 -4.6637 N.2 1 noname -0.2040 17 C10 10.0552 6.2290 -3.5252 C.2 1 noname -0.0118 18 N5 9.2561 8.0981 -2.1793 N.3 1 noname -0.0853 19 C11 11.7188 4.6280 -5.1554 C.2 1 noname 0.0301 20 C12 11.2994 6.7446 -4.0083 C.2 1 noname -0.0135 21 C13 8.8266 9.2738 -2.9073 C.3 1 noname 0.0365 22 C14 9.6127 8.0062 -0.7838 C.3 1 noname 0.0284 23 C15 12.5130 3.8275 -5.9682 C.2 1 noname -0.0382 24 C16 12.1341 5.9452 -4.8348 C.2 1 noname -0.0099 25 C17 8.4055 10.3609 -1.8936 C.3 1 noname 0.0625 26 C18 7.6338 8.9157 -3.7961 C.3 1 noname -0.0469 27 C19 8.3671 8.6200 -0.0787 C.3 1 noname 0.0599 28 C20 11.9267 2.8643 -6.7811 C.2 1 noname -0.0113 29 C21 13.8934 3.9901 -5.9680 C.2 1 noname -0.0221 30 O1 7.8763 9.8822 -0.6267 O.3 1 noname -0.3783 31 C22 12.7209 2.0638 -7.5938 C.2 1 noname -0.0052 32 C23 14.6876 3.1896 -6.7808 C.2 1 noname -0.0188 33 C24 14.1014 2.2265 -7.5937 C.2 1 noname 0.0214 34 C25 12.1051 1.0522 -8.4476 C.3 1 noname 0.0708 35 O2 14.8727 1.4490 -8.3830 O.3 1 noname -0.2736 36 O3 12.6017 -0.2306 -8.0951 O.3 1 noname -0.3914 37 C26 15.0375 2.0742 -9.6473 C.3 1 noname 0.0423 38 H1 3.7490 2.1636 -3.2504 H 1 noname 0.0396 39 H2 4.0058 4.7227 -4.3281 H 1 noname 0.0286 40 H3 3.2683 4.1347 -2.6927 H 1 noname 0.0286 41 H4 5.5202 1.2469 -2.5525 H 1 noname 0.0286 42 H5 6.5748 2.1180 -3.8537 H 1 noname 0.0286 43 H6 5.4076 5.9531 -3.2005 H 1 noname 0.0435 44 H7 4.7868 5.2284 -1.5715 H 1 noname 0.0435 45 H8 5.8162 3.0190 -1.0713 H 1 noname 0.0435 46 H9 7.5186 2.7878 -1.8539 H 1 noname 0.0435 47 H10 11.6139 7.7544 -3.7447 H 1 noname 0.0632 48 H11 9.6724 9.5927 -3.5164 H 1 noname 0.0492 49 H12 9.6805 6.9463 -0.5390 H 1 noname 0.0459 50 H13 10.4729 8.6575 -0.6288 H 1 noname 0.0459 51 H14 13.0774 6.3360 -5.2165 H 1 noname 0.0645 52 H15 9.3137 10.8963 -1.6170 H 1 noname 0.0582 53 H16 7.5713 10.8990 -2.3438 H 1 noname 0.0582 54 H17 6.7788 8.6590 -3.1707 H 1 noname 0.0247 55 H18 7.3805 9.7689 -4.4254 H 1 noname 0.0247 56 H19 7.8923 8.0641 -4.4254 H 1 noname 0.0247 57 H20 7.5436 7.9241 -0.2389 H 1 noname 0.0580 58 H21 8.6763 8.8743 0.9351 H 1 noname 0.0580 59 H22 10.8442 2.7368 -6.7812 H 1 noname 0.0634 60 H23 14.3532 4.7454 -5.3306 H 1 noname 0.0630 61 H24 15.7701 3.3171 -6.7807 H 1 noname 0.0650 62 H25 11.0395 1.0411 -8.2188 H 1 noname 0.0615 63 H26 12.4418 1.2410 -9.4670 H 1 noname 0.0615 64 H27 12.6325 -0.3102 -7.1389 H 1 noname 0.2105 65 H28 15.1381 1.3114 -10.4194 H 1 noname 0.0535 66 H29 14.1679 2.6955 -9.8615 H 1 noname 0.0535 67 H30 15.9329 2.6955 -9.6314 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 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 10 1 11 10 11 1 12 11 12 2 13 11 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 5 38 1 43 6 39 1 44 6 40 1 45 7 41 1 46 7 42 1 47 8 43 1 48 8 44 1 49 9 45 1 50 9 46 1 51 20 47 1 52 21 48 1 53 22 49 1 54 22 50 1 55 24 51 1 56 25 52 1 57 25 53 1 58 26 54 1 59 26 55 1 60 26 56 1 61 27 57 1 62 27 58 1 63 28 59 1 64 29 60 1 65 32 61 1 66 34 62 1 67 34 63 1 68 36 64 1 69 37 65 1 70 37 66 1 71 37 67 1 @SUBSTRUCTURE 1 noname 1