@MOLECULE FDBD00175 71 76 0 0 0 SMALL GASTEIGER @ATOM 1 F 2.1834 -0.2652 1.0408 F 1 UNK -0.2377 2 O -2.1228 -0.9275 0.5409 O.3 1 UNK -0.3314 3 O1 -2.4051 -2.6623 -1.0183 O.3 1 UNK -0.3420 4 O2 1.4131 2.7413 -0.7708 O.3 1 UNK -0.3886 5 O3 -4.0419 0.2063 -1.8275 O.2 1 UNK -0.2906 6 O4 -4.7467 1.9447 0.1927 O.3 1 UNK -0.4570 7 O5 6.8975 -0.3191 2.2888 O.2 1 UNK -0.2879 8 O6 -4.1943 3.7239 1.5590 O.2 1 UNK -0.2512 9 C -0.6496 0.4119 -0.9254 C.3 1 UNK 0.0123 10 C1 0.3195 -0.7891 -1.0233 C.3 1 UNK -0.0241 11 C2 -1.9876 -0.3505 -0.7550 C.3 1 UNK 0.1651 12 C3 1.7761 -0.3761 -1.2780 C.3 1 UNK 0.0004 13 C4 -1.8770 -1.5385 -1.7138 C.3 1 UNK 0.0988 14 C5 2.2618 0.5290 -0.0931 C.3 1 UNK 0.1526 15 C6 -0.3740 -1.7309 -2.0101 C.3 1 UNK -0.0195 16 C7 -0.2019 1.2640 0.2767 C.3 1 UNK -0.0150 17 C8 1.2779 1.7050 0.1894 C.3 1 UNK 0.0910 18 C9 3.7864 0.9176 -0.2329 C.3 1 UNK 0.0443 19 C10 2.6678 -1.6222 -1.4277 C.3 1 UNK -0.0432 20 C11 -0.7040 1.2670 -2.2205 C.3 1 UNK -0.0561 21 C12 -2.5530 -2.2756 0.3451 C.3 1 UNK 0.1718 22 C13 -3.2179 0.4836 -0.9574 C.2 1 UNK 0.2051 23 C14 4.1426 -1.2628 -1.5636 C.3 1 UNK -0.0301 24 C15 4.5764 -0.3838 -0.4184 C.2 1 UNK -0.0532 25 C16 -4.0209 -2.4160 0.7807 C.3 1 UNK 0.0015 26 C17 -1.7493 -3.2144 1.2503 C.3 1 UNK 0.0015 27 C18 4.0949 1.8380 -1.4361 C.3 1 UNK -0.0493 28 C19 4.2517 1.6709 1.0051 C.2 1 UNK -0.0674 29 C20 -4.0316 -3.5240 1.8291 C.3 1 UNK -0.0480 30 C21 -2.6504 -3.4456 2.4539 C.3 1 UNK -0.0480 31 C22 -3.3800 1.6738 -0.0360 C.3 1 UNK 0.1531 32 C23 5.5701 -0.7755 0.3946 C.2 1 UNK -0.0148 33 C24 5.2392 1.2853 1.8191 C.2 1 UNK -0.0180 34 C25 5.9783 0.0366 1.5590 C.2 1 UNK 0.1787 35 C26 -5.0235 3.0062 1.0165 C.2 1 UNK 0.3043 36 C27 -6.5052 3.1741 1.1663 C.3 1 UNK 0.0332 37 H 2.3423 3.0150 -0.8225 H 1 UNK 0.2099 38 H1 0.4804 -1.3168 -0.1065 H 1 UNK 0.0312 39 H2 1.8423 0.1788 -2.1905 H 1 UNK 0.0336 40 H3 -2.4054 -1.4009 -2.6340 H 1 UNK 0.0631 41 H4 -0.0792 -2.7452 -1.8395 H 1 UNK 0.0294 42 H5 -0.1238 -1.5184 -3.0285 H 1 UNK 0.0294 43 H6 -0.3340 0.6894 1.1696 H 1 UNK 0.0297 44 H7 -0.7999 2.1513 0.2795 H 1 UNK 0.0297 45 H8 1.5552 2.0771 1.1535 H 1 UNK 0.0626 46 H9 2.3628 -2.1612 -2.3003 H 1 UNK 0.0272 47 H10 2.5546 -2.2148 -0.5440 H 1 UNK 0.0272 48 H11 -1.0169 0.6540 -3.0398 H 1 UNK 0.0236 49 H12 0.2672 1.6670 -2.4249 H 1 UNK 0.0236 50 H13 -1.3997 2.0693 -2.0892 H 1 UNK 0.0236 51 H14 4.2951 -0.7416 -2.4856 H 1 UNK 0.0310 52 H15 4.7220 -2.1623 -1.5498 H 1 UNK 0.0310 53 H16 -4.6343 -2.6850 -0.0537 H 1 UNK 0.0317 54 H17 -4.4087 -1.4979 1.1700 H 1 UNK 0.0317 55 H18 -0.8294 -2.7565 1.5488 H 1 UNK 0.0317 56 H19 -1.4851 -4.1270 0.7582 H 1 UNK 0.0317 57 H20 3.7870 1.3573 -2.3411 H 1 UNK 0.0242 58 H21 5.1462 2.0329 -1.4757 H 1 UNK 0.0242 59 H22 3.5650 2.7608 -1.3243 H 1 UNK 0.0242 60 H23 3.7649 2.5514 1.2348 H 1 UNK 0.0583 61 H24 -4.1898 -4.4788 1.3728 H 1 UNK 0.0267 62 H25 -4.8171 -3.4072 2.5462 H 1 UNK 0.0267 63 H26 -2.5859 -2.6319 3.1457 H 1 UNK 0.0267 64 H27 -2.3899 -4.3173 3.0172 H 1 UNK 0.0267 65 H28 -2.9026 1.4626 0.8980 H 1 UNK 0.0779 66 H29 -2.9319 2.5293 -0.4966 H 1 UNK 0.0779 67 H30 6.0596 -1.6634 0.2019 H 1 UNK 0.0656 68 H31 5.4861 1.8660 2.6357 H 1 UNK 0.0653 69 H32 -7.0089 2.4234 0.5939 H 1 UNK 0.0342 70 H33 -6.7917 4.1431 0.8144 H 1 UNK 0.0342 71 H34 -6.7728 3.0757 2.1976 H 1 UNK 0.0342 @BOND 1 1 14 1 2 2 11 1 3 2 21 1 4 3 13 1 5 3 21 1 6 4 17 1 7 5 22 2 8 6 31 1 9 6 35 1 10 7 34 2 11 8 35 2 12 9 10 1 13 9 11 1 14 9 16 1 15 9 20 1 16 10 12 1 17 10 15 1 18 11 13 1 19 11 22 1 20 12 14 1 21 12 19 1 22 13 15 1 23 14 17 1 24 14 18 1 25 16 17 1 26 18 24 1 27 18 27 1 28 18 28 1 29 19 23 1 30 21 25 1 31 21 26 1 32 22 31 1 33 23 24 1 34 24 32 2 35 25 29 1 36 26 30 1 37 28 33 2 38 29 30 1 39 32 34 1 40 33 34 1 41 35 36 1 42 4 37 1 43 10 38 1 44 12 39 1 45 13 40 1 46 15 41 1 47 15 42 1 48 16 43 1 49 16 44 1 50 17 45 1 51 19 46 1 52 19 47 1 53 20 48 1 54 20 49 1 55 20 50 1 56 23 51 1 57 23 52 1 58 25 53 1 59 25 54 1 60 26 55 1 61 26 56 1 62 27 57 1 63 27 58 1 64 27 59 1 65 28 60 1 66 29 61 1 67 29 62 1 68 30 63 1 69 30 64 1 70 31 65 1 71 31 66 1 72 32 67 1 73 33 68 1 74 36 69 1 75 36 70 1 76 36 71 1