@MOLECULE FDBD01336 62 66 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.9013 -2.8453 -0.5272 F 1 UNK -0.1659 2 F1 4.5230 -4.2964 0.3091 F 1 UNK -0.1659 3 F2 4.3828 -3.7530 -1.7919 F 1 UNK -0.1659 4 O -0.1064 -3.8749 0.7522 O.2 1 UNK -0.2699 5 N 3.6988 1.4314 0.6778 N.ar 1 UNK -0.1492 6 N1 0.0003 -1.6146 0.1319 N.am 1 UNK -0.2813 7 N2 -4.8597 -0.3091 0.6335 N.pl3 1 UNK -0.2834 8 N3 5.1431 3.0957 1.0122 N.ar 1 UNK -0.3068 9 N4 -3.2634 1.2327 -0.1284 N.ar 1 UNK -0.2142 10 N5 -5.4017 1.9730 0.7005 N.ar 1 UNK -0.2226 11 N6 0.1915 1.9437 -2.2793 N.ar 1 UNK -0.2626 12 C 3.2236 0.1657 0.3874 C.ar 1 UNK 0.2167 13 C1 1.3935 -1.3590 0.1135 C.ar 1 UNK 0.0404 14 C2 3.6376 -2.1371 -0.2148 C.ar 1 UNK 0.0628 15 C3 1.8516 -0.0856 0.4057 C.ar 1 UNK 0.0314 16 C4 4.1166 -0.8601 0.0771 C.ar 1 UNK 0.0219 17 C5 2.2657 -2.3884 -0.1967 C.ar 1 UNK -0.0284 18 C6 -2.1143 -2.7737 0.3441 C.ar 1 UNK 0.0388 19 C7 -4.1867 -1.5356 0.4415 C.ar 1 UNK 0.0372 20 C8 -4.8973 -2.7036 0.1646 C.ar 1 UNK -0.0292 21 C9 -2.7951 -1.5706 0.5313 C.ar 1 UNK -0.0281 22 C10 -0.6635 -2.8109 0.4375 C.2 1 UNK 0.2483 23 C11 2.9475 2.5331 0.9989 C.ar 1 UNK 0.1976 24 C12 -2.8250 -3.9416 0.0673 C.ar 1 UNK -0.0493 25 C13 -4.2165 -3.9066 -0.0225 C.ar 1 UNK -0.0564 26 C14 4.5919 -3.2341 -0.5468 C.3 1 UNK 0.4177 27 C15 5.0131 1.8254 0.7001 C.ar 1 UNK 0.2513 28 C16 3.8591 3.5429 1.1997 C.ar 1 UNK 0.0818 29 C17 -6.3880 -2.6953 0.0626 C.3 1 UNK -0.0380 30 C18 -4.4912 1.0272 0.3908 C.ar 1 UNK 0.2200 31 C19 3.5999 4.9433 1.5669 C.3 1 UNK -0.0186 32 C20 -2.9429 2.5247 -0.3484 C.ar 1 UNK 0.0775 33 C21 -1.6290 2.7440 -0.9038 C.ar 1 UNK 0.0186 34 C22 -3.7867 3.5815 -0.0735 C.ar 1 UNK -0.0174 35 C23 -5.0156 3.2423 0.4550 C.ar 1 UNK 0.0332 36 C24 -0.9191 3.9083 -0.6301 C.ar 1 UNK -0.0497 37 C25 -1.0342 1.8012 -1.7272 C.ar 1 UNK 0.0367 38 C26 0.3449 4.0913 -1.1798 C.ar 1 UNK -0.0430 39 C27 0.8509 3.0880 -1.9905 C.ar 1 UNK 0.0276 40 H -0.5775 -0.8521 -0.1004 H 1 UNK 0.1551 41 H1 -5.7635 -0.4083 1.0110 H 1 UNK 0.1550 42 H2 5.9773 3.6122 1.0935 H 1 UNK 0.1707 43 H3 1.1857 0.6690 0.6344 H 1 UNK 0.0702 44 H4 5.1316 -0.6741 0.0635 H 1 UNK 0.0689 45 H5 1.9049 -3.3310 -0.4121 H 1 UNK 0.0642 46 H6 -2.2693 -0.7066 0.7362 H 1 UNK 0.0644 47 H7 1.9199 2.5916 1.0737 H 1 UNK 0.1400 48 H8 -2.3212 -4.8316 -0.0711 H 1 UNK 0.0625 49 H9 -4.7423 -4.7707 -0.2273 H 1 UNK 0.0621 50 H10 5.8065 1.1979 0.4958 H 1 UNK 0.1603 51 H11 -6.7515 -1.7031 0.2307 H 1 UNK 0.0278 52 H12 -6.7995 -3.3552 0.7976 H 1 UNK 0.0278 53 H13 -6.6805 -3.0217 -0.9135 H 1 UNK 0.0278 54 H14 4.5284 5.4693 1.6451 H 1 UNK 0.0294 55 H15 3.0906 4.9770 2.5073 H 1 UNK 0.0294 56 H16 2.9921 5.4024 0.8155 H 1 UNK 0.0294 57 H17 -3.5164 4.5614 -0.2515 H 1 UNK 0.0654 58 H18 -5.6772 4.0031 0.6751 H 1 UNK 0.0831 59 H19 -1.3290 4.6337 -0.0212 H 1 UNK 0.0625 60 H20 -1.5596 0.9368 -1.9315 H 1 UNK 0.0836 61 H21 0.8890 4.9474 -0.9900 H 1 UNK 0.0633 62 H22 1.7890 3.2226 -2.3990 H 1 UNK 0.0829 @BOND 1 1 26 1 2 2 26 1 3 3 26 1 4 4 22 2 5 5 12 1 6 5 23 ar 7 5 27 ar 8 6 13 1 9 6 22 am 10 7 19 1 11 7 30 1 12 8 27 ar 13 8 28 ar 14 9 30 ar 15 9 32 ar 16 10 30 ar 17 10 35 ar 18 11 37 ar 19 11 39 ar 20 12 15 ar 21 12 16 ar 22 13 15 ar 23 13 17 ar 24 14 16 ar 25 14 17 ar 26 14 26 1 27 18 21 ar 28 18 22 1 29 18 24 ar 30 19 20 ar 31 19 21 ar 32 20 25 ar 33 20 29 1 34 23 28 ar 35 24 25 ar 36 28 31 1 37 32 33 1 38 32 34 ar 39 33 36 ar 40 33 37 ar 41 34 35 ar 42 36 38 ar 43 38 39 ar 44 6 40 1 45 7 41 1 46 8 42 1 47 15 43 1 48 16 44 1 49 17 45 1 50 21 46 1 51 23 47 1 52 24 48 1 53 25 49 1 54 27 50 1 55 29 51 1 56 29 52 1 57 29 53 1 58 31 54 1 59 31 55 1 60 31 56 1 61 34 57 1 62 35 58 1 63 36 59 1 64 37 60 1 65 38 61 1 66 39 62 1