@MOLECULE 213775 52 56 1 SMALL USER_CHARGES @ATOM 1 F1 1.9315 -7.3437 -0.1394 F 1 noname -0.1661 2 C1 1.9982 -5.9744 -0.1310 C.3 1 noname 0.4161 3 F2 3.2892 -5.5783 -0.3683 F 1 noname -0.1661 4 F3 1.5935 -5.5046 1.0917 F 1 noname -0.1661 5 C2 1.1256 -5.4383 -1.1716 C.2 1 noname -0.0003 6 C3 0.0390 -4.5610 -0.8512 C.2 1 noname 0.0064 7 C4 1.3231 -5.7684 -2.5465 C.2 1 noname -0.0214 8 C5 -0.8847 -4.0318 -1.8266 C.2 1 noname -0.0070 9 C6 0.4962 -5.2566 -3.5914 C.2 1 noname -0.0424 10 N1 -2.0033 -3.1977 -1.4353 N.3 1 noname -0.1044 11 C7 -0.5891 -4.4006 -3.2126 C.2 1 noname -0.0252 12 C8 -2.8419 -2.6556 -2.5138 C.2 1 noname 0.0557 13 C9 -2.4396 -2.7401 -0.1265 C.2 1 noname 0.0536 14 O1 -3.4253 -3.3445 -3.3785 O.2 1 noname -0.2687 15 N2 -2.8979 -1.1833 -2.4318 N.3 1 noname -0.0437 16 C10 -2.2645 -3.4028 1.1368 C.2 1 noname 0.0534 17 C11 -3.1713 -1.4965 -0.0116 C.2 1 noname 0.0308 18 C12 -3.6150 -0.7642 -1.2130 C.3 1 noname 0.0351 19 C13 -2.3445 -0.3023 -3.3834 C.3 1 noname -0.0041 20 N3 -1.7760 -4.6541 1.2965 N.2 1 noname -0.2170 21 C14 -2.6550 -2.7385 2.3442 C.2 1 noname 0.0309 22 C15 -3.5756 -0.9018 1.1931 C.2 1 noname 0.0230 23 C16 -1.5734 -5.2514 2.5125 C.2 1 noname 0.0259 24 N4 -3.2741 -1.5487 2.3372 N.2 1 noname -0.2322 25 C17 -2.4567 -3.2861 3.6355 C.2 1 noname 0.0060 26 C18 -1.0307 -6.5744 2.5525 C.2 1 noname -0.0106 27 C19 -1.9063 -4.5614 3.7176 C.2 1 noname -0.0017 28 C20 -1.3004 -7.4835 1.4866 C.2 1 noname 0.0294 29 C21 -0.2057 -7.0278 3.6517 C.2 1 noname -0.0064 30 N5 -0.7649 -8.7350 1.5727 N.2 1 noname -0.2195 31 C22 0.3309 -8.3282 3.7349 C.2 1 noname 0.0114 32 C23 0.0149 -9.1682 2.6363 C.2 1 noname 0.0652 33 O2 0.4887 -10.4323 2.6248 O.3 1 noname -0.2437 34 C24 1.7557 -10.4570 1.9841 C.3 1 noname 0.0440 35 H1 -0.0925 -4.2803 0.1938 H 1 noname 0.0645 36 H2 2.1403 -6.4401 -2.8097 H 1 noname 0.0628 37 H3 0.6856 -5.5088 -4.6348 H 1 noname 0.0623 38 H4 -1.2176 -4.0129 -4.0143 H 1 noname 0.0639 39 H5 -3.3455 0.2789 -1.0478 H 1 noname 0.0487 40 H6 -4.6583 -1.0398 -1.3667 H 1 noname 0.0487 41 H7 -1.8329 0.5120 -2.8703 H 1 noname 0.0399 42 H8 -1.6327 -0.8423 -4.0078 H 1 noname 0.0399 43 H9 -3.1399 0.1045 -4.0078 H 1 noname 0.0399 44 H10 -4.1137 0.0450 1.2394 H 1 noname 0.0843 45 H11 -2.7205 -2.7407 4.5417 H 1 noname 0.0646 46 H12 -1.7407 -5.0073 4.6983 H 1 noname 0.0646 47 H13 -1.9071 -7.2255 0.6186 H 1 noname 0.0847 48 H14 0.0264 -6.3458 4.4697 H 1 noname 0.0631 49 H15 0.9391 -8.6565 4.5777 H 1 noname 0.0667 50 H16 2.5435 -10.4724 2.7373 H 1 noname 0.0535 51 H17 1.8307 -11.3486 1.3616 H 1 noname 0.0535 52 H18 1.8655 -9.5690 1.3616 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 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 15 19 1 20 16 20 2 21 16 21 1 22 17 22 1 23 17 18 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 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 1 39 6 35 1 40 7 36 1 41 9 37 1 42 11 38 1 43 18 39 1 44 18 40 1 45 19 41 1 46 19 42 1 47 19 43 1 48 22 44 1 49 25 45 1 50 27 46 1 51 28 47 1 52 29 48 1 53 31 49 1 54 34 50 1 55 34 51 1 56 34 52 1 @SUBSTRUCTURE 1 noname 1