@MOLECULE 116076 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 4.7944 -2.1955 2.4313 F 1 noname -0.1435 2 C1 3.4727 -2.0241 2.7528 C.3 1 noname 0.5273 3 F2 3.2838 -2.3141 4.0794 F 1 noname -0.1435 4 F3 2.7038 -2.8627 1.9877 F 1 noname -0.1435 5 O1 3.0958 -0.6778 2.5042 O.3 1 noname -0.2022 6 C2 1.7943 -0.5091 2.8208 C.2 1 noname 0.0524 7 C3 1.3945 -0.1174 4.1347 C.2 1 noname 0.0347 8 C4 0.7664 -0.7145 1.8589 C.2 1 noname 0.0201 9 C5 2.4170 0.2528 5.1292 C.2 1 noname 0.0291 10 C6 0.0382 0.0505 4.5448 C.2 1 noname 0.0008 11 C7 -0.6172 -0.5417 2.2099 C.2 1 noname -0.0030 12 O2 2.8205 -0.5694 5.9799 O.2 1 noname -0.2919 13 N1 2.9533 1.6444 5.0842 N.3 1 noname -0.0637 14 C8 -0.9694 -0.1549 3.5658 C.2 1 noname -0.0230 15 C9 -1.6714 -0.7541 1.2379 C.2 1 noname 0.0476 16 C10 3.6950 1.9149 6.3489 C.3 1 noname 0.0189 17 C11 2.0673 2.7538 4.5484 C.3 1 noname 0.0189 18 N2 -2.8219 -0.0356 1.4744 N.2 1 noname -0.2224 19 C12 -1.6380 -1.6445 0.1016 C.2 1 noname 0.0405 20 C13 2.8183 2.5804 7.4606 C.3 1 noname 0.0113 21 C14 1.5551 3.7936 5.5853 C.3 1 noname 0.0113 22 C15 -3.9596 -0.1285 0.7289 C.2 1 noname 0.0454 23 C16 -0.6469 -2.4183 -0.3198 C.1 1 noname -0.0101 24 C17 -2.8261 -1.7270 -0.6503 C.2 1 noname 0.0369 25 N3 1.5676 3.2452 6.9683 N.3 1 noname -0.3037 26 N4 -3.9260 -0.9923 -0.3256 N.2 1 noname -0.2311 27 C18 0.2354 -3.1304 -0.7338 C.1 1 noname -0.0269 28 C19 -2.8799 -2.6203 -1.8039 C.3 1 noname 0.0467 29 C20 1.1675 4.2893 7.9103 C.3 1 noname -0.0132 30 C21 1.2200 -3.9093 -1.1765 C.2 1 noname -0.0258 31 C22 -3.9826 -3.6598 -1.5931 C.3 1 noname -0.0597 32 C23 2.5261 -3.8069 -0.6027 C.2 1 noname 0.0129 33 C24 1.0030 -4.8637 -2.2262 C.2 1 noname -0.0243 34 N5 3.5107 -4.6406 -1.0977 N.2 1 noname -0.2633 35 C25 2.0349 -5.7143 -2.7215 C.2 1 noname -0.0315 36 C26 3.3095 -5.5613 -2.1075 C.2 1 noname 0.0173 37 N6 4.3328 -6.3239 -2.5163 N.3 1 noname -0.1209 38 H1 1.0411 -1.0064 0.8453 H 1 noname 0.0657 39 H2 -0.2187 0.3255 5.5678 H 1 noname 0.0631 40 H3 -2.0112 -0.0160 3.8546 H 1 noname 0.0629 41 H4 3.9833 0.9320 6.7215 H 1 noname 0.0449 42 H5 4.4613 2.6404 6.0758 H 1 noname 0.0449 43 H6 2.7044 3.3103 3.8610 H 1 noname 0.0449 44 H7 1.1785 2.2441 4.1764 H 1 noname 0.0449 45 H8 2.4685 1.7716 8.1022 H 1 noname 0.0443 46 H9 3.4157 3.3896 7.8806 H 1 noname 0.0443 47 H10 2.2691 4.6172 5.5926 H 1 noname 0.0443 48 H11 0.5063 3.9836 5.3572 H 1 noname 0.0443 49 H12 -4.8488 0.4567 0.9636 H 1 noname 0.1061 50 H13 -3.1708 -1.9990 -2.6509 H 1 noname 0.0329 51 H14 -1.9270 -3.1494 -1.8180 H 1 noname 0.0329 52 H15 1.3050 3.9305 8.9303 H 1 noname 0.0394 53 H16 1.7807 5.1763 7.7514 H 1 noname 0.0394 54 H17 0.1186 4.5394 7.7514 H 1 noname 0.0394 55 H18 -4.1414 -3.8095 -0.5252 H 1 noname 0.0234 56 H19 -4.9064 -3.3076 -2.0519 H 1 noname 0.0234 57 H20 -3.6855 -4.6028 -2.0519 H 1 noname 0.0234 58 H21 2.7667 -3.1066 0.1972 H 1 noname 0.0853 59 H22 0.0096 -4.9463 -2.6672 H 1 noname 0.0637 60 H23 1.8603 -6.4362 -3.5193 H 1 noname 0.0656 61 H24 4.1957 -7.3126 -2.6704 H 1 noname 0.1257 62 H25 5.2411 -5.9099 -2.6704 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 2 11 9 12 2 12 9 13 1 13 10 14 2 14 11 15 1 15 11 14 1 16 13 16 1 17 13 17 1 18 15 18 2 19 15 19 1 20 16 20 1 21 17 21 1 22 18 22 1 23 19 23 1 24 19 24 2 25 20 25 1 26 21 25 1 27 22 26 2 28 23 27 3 29 24 28 1 30 24 26 1 31 25 29 1 32 27 30 1 33 28 31 1 34 30 32 2 35 30 33 1 36 32 34 1 37 33 35 2 38 34 36 2 39 35 36 1 40 36 37 1 41 8 38 1 42 10 39 1 43 14 40 1 44 16 41 1 45 16 42 1 46 17 43 1 47 17 44 1 48 20 45 1 49 20 46 1 50 21 47 1 51 21 48 1 52 22 49 1 53 28 50 1 54 28 51 1 55 29 52 1 56 29 53 1 57 29 54 1 58 31 55 1 59 31 56 1 60 31 57 1 61 32 58 1 62 33 59 1 63 35 60 1 64 37 61 1 65 37 62 1 @SUBSTRUCTURE 1 noname 1