@MOLECULE FDBD01321 80 84 0 0 0 SMALL USER_CHARGES @ATOM 1 F 1.3012 3.3532 1.0471 F 1 UNK -0.2057 2 F1 -0.0554 1.7227 0.3929 F 1 UNK -0.2057 3 O 6.0374 2.2576 1.3912 O.2 1 UNK -0.2755 4 N 7.1300 -0.4969 0.1753 N.4 1 UNK 0.2399 5 N1 3.5972 -2.5823 0.0788 N.ar 1 UNK -0.1619 6 N2 1.7053 -3.6463 -0.1937 N.ar 1 UNK -0.2208 7 N3 6.2899 1.8072 -0.8197 N.am 1 UNK -0.3081 8 N4 2.6288 -4.5412 0.1709 N.ar 1 UNK -0.1082 9 C 6.7971 -1.2875 1.3716 C.3 1 UNK -0.0143 10 C1 6.9297 -1.4683 -0.9122 C.3 1 UNK -0.0143 11 C2 4.5444 -1.5557 0.0983 C.3 1 UNK 0.1742 12 C3 5.2649 -1.4426 1.4651 C.3 1 UNK 0.0531 13 C4 5.4170 -1.5932 -1.1787 C.3 1 UNK 0.0531 14 C5 7.4274 -2.6732 1.1395 C.3 1 UNK -0.0043 15 C6 7.4684 -2.8150 -0.3923 C.3 1 UNK -0.0043 16 C7 8.5171 -0.0002 0.2040 C.3 1 UNK -0.0294 17 C8 8.5166 1.5358 0.3170 C.3 1 UNK 0.0101 18 C9 2.3073 -2.4413 -0.2546 C.ar 1 UNK 0.2785 19 C10 7.7008 2.1630 -0.8338 C.3 1 UNK 0.0532 20 C11 3.7941 -3.8844 0.3328 C.ar 1 UNK 0.2949 21 C12 1.6273 -1.1328 -0.6410 C.3 1 UNK 0.0576 22 C13 5.1137 -4.5326 0.7363 C.3 1 UNK 0.0421 23 C14 7.8748 3.6784 -0.8674 C.ar 1 UNK -0.0270 24 C15 4.1282 1.4987 0.2152 C.3 1 UNK 0.0359 25 C16 5.5748 1.8937 0.3213 C.2 1 UNK 0.2166 26 C17 1.7627 -0.9170 -2.1595 C.3 1 UNK -0.0515 27 C18 0.1369 -1.1922 -0.2573 C.3 1 UNK -0.0515 28 C19 3.4042 2.4741 -0.7357 C.3 1 UNK -0.0365 29 C20 3.4467 1.4934 1.6001 C.3 1 UNK -0.0365 30 C21 1.9180 2.0842 -0.8649 C.3 1 UNK 0.0114 31 C22 1.9623 1.1070 1.4590 C.3 1 UNK 0.0114 32 C23 1.2446 2.0989 0.5223 C.3 1 UNK 0.2490 33 C24 8.4063 4.2835 -2.0087 C.ar 1 UNK -0.0568 34 C25 7.5078 4.4634 0.2295 C.ar 1 UNK -0.0568 35 C26 8.5611 5.6715 -2.0583 C.ar 1 UNK -0.0614 36 C27 7.6551 5.8516 0.1790 C.ar 1 UNK -0.0614 37 C28 8.1816 6.4556 -0.9662 C.ar 1 UNK -0.0617 38 H 6.5626 0.3458 0.0839 H 1 UNK 0.2039 39 H1 0.7575 -3.8331 -0.3834 H 1 UNK 0.1946 40 H2 5.8543 1.5014 -1.6479 H 1 UNK 0.1493 41 H3 7.1528 -0.8267 2.2694 H 1 UNK 0.0853 42 H4 7.4247 -1.1737 -1.8139 H 1 UNK 0.0853 43 H5 4.0578 -0.6046 0.0388 H 1 UNK 0.1073 44 H6 4.8737 -0.5896 1.9792 H 1 UNK 0.0385 45 H7 5.0838 -2.3624 1.9808 H 1 UNK 0.0385 46 H8 5.2398 -2.5221 -1.6794 H 1 UNK 0.0385 47 H9 5.1370 -0.7453 -1.7682 H 1 UNK 0.0385 48 H10 6.8252 -3.4424 1.5762 H 1 UNK 0.0322 49 H11 8.3953 -2.7642 1.5864 H 1 UNK 0.0322 50 H12 8.4699 -2.9793 -0.7314 H 1 UNK 0.0322 51 H13 6.8948 -3.6479 -0.7419 H 1 UNK 0.0322 52 H14 9.0174 -0.2904 -0.6962 H 1 UNK 0.0815 53 H15 9.0253 -0.4173 1.0482 H 1 UNK 0.0815 54 H16 9.5242 1.8926 0.2693 H 1 UNK 0.0338 55 H17 8.0702 1.8138 1.2488 H 1 UNK 0.0338 56 H18 8.1018 1.7432 -1.7326 H 1 UNK 0.0550 57 H19 2.0926 -0.3209 -0.1222 H 1 UNK 0.0420 58 H20 5.8764 -3.7842 0.7919 H 1 UNK 0.0354 59 H21 5.3874 -5.2674 0.0083 H 1 UNK 0.0354 60 H22 5.0034 -5.0011 1.6919 H 1 UNK 0.0354 61 H23 4.0709 0.5047 -0.1766 H 1 UNK 0.0394 62 H24 1.2973 -1.7291 -2.6780 H 1 UNK 0.0238 63 H25 2.7989 -0.8730 -2.4225 H 1 UNK 0.0238 64 H26 1.2859 0.0010 -2.4332 H 1 UNK 0.0238 65 H27 -0.3324 -2.0031 -0.7742 H 1 UNK 0.0238 66 H28 -0.3384 -0.2730 -0.5295 H 1 UNK 0.0238 67 H29 0.0460 -1.3418 0.7983 H 1 UNK 0.0238 68 H30 3.8653 2.4353 -1.7005 H 1 UNK 0.0274 69 H31 3.4727 3.4654 -0.3387 H 1 UNK 0.0274 70 H32 3.5186 2.4690 2.0335 H 1 UNK 0.0274 71 H33 3.9361 0.7786 2.2282 H 1 UNK 0.0274 72 H34 1.8447 1.1023 -1.2836 H 1 UNK 0.0323 73 H35 1.4248 2.7888 -1.5015 H 1 UNK 0.0323 74 H36 1.4973 1.1300 2.4224 H 1 UNK 0.0323 75 H37 1.8940 0.1224 1.0458 H 1 UNK 0.0323 76 H38 8.6850 3.7047 -2.8164 H 1 UNK 0.0621 77 H39 7.1273 4.0165 1.0783 H 1 UNK 0.0621 78 H40 8.9556 6.1171 -2.9014 H 1 UNK 0.0618 79 H41 7.3755 6.4305 0.9863 H 1 UNK 0.0618 80 H42 8.2900 7.4812 -1.0050 H 1 UNK 0.0618 @BOND 1 32 1 1 2 32 2 1 3 25 3 2 4 4 9 1 5 4 10 1 6 16 4 1 7 11 5 1 8 5 18 ar 9 5 20 ar 10 8 6 ar 11 18 6 ar 12 25 7 am 13 20 8 ar 14 9 12 1 15 9 14 1 16 10 13 1 17 10 15 1 18 12 11 1 19 13 11 1 20 15 14 1 21 17 16 1 22 18 21 1 23 7 19 1 24 19 17 1 25 19 23 1 26 20 22 1 27 21 26 1 28 21 27 1 29 23 33 ar 30 23 34 ar 31 24 25 1 32 28 24 1 33 24 29 1 34 30 28 1 35 29 31 1 36 30 32 1 37 31 32 1 38 33 35 ar 39 34 36 ar 40 35 37 ar 41 36 37 ar 42 4 38 1 43 6 39 1 44 7 40 1 45 9 41 1 46 10 42 1 47 11 43 1 48 12 44 1 49 12 45 1 50 13 46 1 51 13 47 1 52 14 48 1 53 14 49 1 54 15 50 1 55 15 51 1 56 16 52 1 57 16 53 1 58 17 54 1 59 17 55 1 60 19 56 1 61 21 57 1 62 22 58 1 63 22 59 1 64 22 60 1 65 24 61 1 66 26 62 1 67 26 63 1 68 26 64 1 69 27 65 1 70 27 66 1 71 27 67 1 72 28 68 1 73 28 69 1 74 29 70 1 75 29 71 1 76 30 72 1 77 30 73 1 78 31 74 1 79 31 75 1 80 33 76 1 81 34 77 1 82 35 78 1 83 36 79 1 84 37 80 1