@MOLECULE FDBD00174 70 71 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.9088 -0.9301 3.4849 F 1 UNK -0.1659 2 F1 -2.1088 0.1940 3.0375 F 1 UNK -0.1659 3 F2 -3.8419 0.3584 1.7345 F 1 UNK -0.1659 4 O 5.0953 1.0098 2.2479 O.3 1 UNK -0.3914 5 O1 6.2640 -0.5140 -0.7665 O.3 1 UNK -0.3911 6 O2 2.4118 -3.6217 -2.9998 O.3 1 UNK -0.3844 7 O3 -0.4824 -2.2295 -1.3186 O.3 1 UNK -0.4891 8 O4 -2.7902 2.0557 -2.3196 O.3 1 UNK -0.4619 9 O5 -2.9552 3.2523 -0.3540 O.2 1 UNK -0.2508 10 C 3.3138 1.0119 0.5545 C.3 1 UNK -0.0029 11 C1 3.9225 -0.1686 -0.2195 C.3 1 UNK 0.0087 12 C2 4.5554 1.7016 1.1283 C.3 1 UNK 0.0613 13 C3 5.1962 0.4217 -0.8505 C.3 1 UNK 0.0641 14 C4 5.5455 1.6776 -0.0359 C.3 1 UNK 0.0001 15 C5 2.3095 0.5877 1.6148 C.3 1 UNK -0.0290 16 C6 3.0015 -0.7494 -1.2466 C.2 1 UNK -0.0795 17 C7 1.7929 1.7707 2.3777 C.2 1 UNK -0.0876 18 C8 2.6145 -2.0334 -1.2618 C.2 1 UNK -0.0562 19 C9 1.6905 -2.6145 -2.2952 C.3 1 UNK 0.1073 20 C10 0.7301 2.4964 1.9999 C.2 1 UNK -0.0879 21 C11 -0.0734 2.2120 0.7643 C.3 1 UNK -0.0343 22 C12 0.4547 -3.2419 -1.6553 C.3 1 UNK 0.1189 23 C13 -0.0809 3.3795 -0.2313 C.3 1 UNK -0.0395 24 C14 -0.8402 3.1025 -1.5306 C.3 1 UNK 0.0452 25 C15 -1.3025 -2.4759 -0.2477 C.ar 1 UNK 0.1212 26 C16 -2.3076 2.8241 -1.3003 C.2 1 UNK 0.3073 27 C17 -1.7704 -1.4174 0.5308 C.ar 1 UNK -0.0083 28 C18 -1.6683 -3.7855 0.0635 C.ar 1 UNK -0.0199 29 C19 -4.1839 1.7391 -2.2465 C.3 1 UNK 0.0975 30 C20 -2.6039 -1.6684 1.6207 C.ar 1 UNK 0.0583 31 C21 -2.5020 -4.0366 1.1533 C.ar 1 UNK -0.0578 32 C22 -2.9697 -2.9780 1.9319 C.ar 1 UNK -0.0499 33 C23 -4.4215 0.3755 -2.8776 C.3 1 UNK -0.0280 34 C24 -4.9827 2.8317 -2.9406 C.3 1 UNK -0.0280 35 C25 -3.1040 -0.5371 2.4534 C.3 1 UNK 0.4175 36 H 4.4586 1.0319 2.9794 H 1 UNK 0.2098 37 H1 6.0415 -1.3056 -1.2811 H 1 UNK 0.2098 38 H2 3.1988 -3.2293 -3.4091 H 1 UNK 0.2104 39 H3 2.7227 1.6577 -0.0606 H 1 UNK 0.0335 40 H4 4.1223 -0.9989 0.4251 H 1 UNK 0.0372 41 H5 4.3318 2.6840 1.4886 H 1 UNK 0.0597 42 H6 5.0406 0.6537 -1.8834 H 1 UNK 0.0600 43 H7 6.5496 1.6187 0.3290 H 1 UNK 0.0315 44 H8 5.4798 2.5653 -0.6296 H 1 UNK 0.0315 45 H9 2.7853 -0.0862 2.2963 H 1 UNK 0.0311 46 H10 1.4839 0.1121 1.1280 H 1 UNK 0.0311 47 H11 2.6433 -0.1253 -1.9863 H 1 UNK 0.0573 48 H12 2.2837 2.0423 3.2439 H 1 UNK 0.0569 49 H13 2.9714 -2.6580 -0.5219 H 1 UNK 0.0596 50 H14 1.3585 -1.8347 -2.9483 H 1 UNK 0.0672 51 H15 0.4493 3.2942 2.5912 H 1 UNK 0.0569 52 H16 -1.0824 2.0055 1.0544 H 1 UNK 0.0307 53 H17 0.3814 1.3772 0.2733 H 1 UNK 0.0307 54 H18 0.0060 -3.9252 -2.3457 H 1 UNK 0.0726 55 H19 0.7444 -3.7631 -0.7669 H 1 UNK 0.0726 56 H20 0.9333 3.6125 -0.4804 H 1 UNK 0.0273 57 H21 -0.5901 4.1872 0.2517 H 1 UNK 0.0273 58 H22 -0.4013 2.2519 -2.0089 H 1 UNK 0.0378 59 H23 -0.7692 3.9793 -2.1397 H 1 UNK 0.0378 60 H24 -1.4999 -0.4485 0.3004 H 1 UNK 0.0660 61 H25 -1.3221 -4.5687 -0.5126 H 1 UNK 0.0654 62 H26 -4.5071 1.6914 -1.2276 H 1 UNK 0.0728 63 H27 -2.7727 -5.0055 1.3835 H 1 UNK 0.0619 64 H28 -3.5864 -3.1637 2.7383 H 1 UNK 0.0623 65 H29 -4.1059 0.3957 -3.8998 H 1 UNK 0.0265 66 H30 -5.4636 0.1375 -2.8307 H 1 UNK 0.0265 67 H31 -3.8620 -0.3658 -2.3462 H 1 UNK 0.0265 68 H32 -4.6783 2.9006 -3.9641 H 1 UNK 0.0265 69 H33 -4.8064 3.7673 -2.4523 H 1 UNK 0.0265 70 H34 -6.0253 2.5958 -2.8937 H 1 UNK 0.0265 @BOND 1 1 35 1 2 2 35 1 3 3 35 1 4 4 12 1 5 5 13 1 6 6 19 1 7 7 22 1 8 7 25 1 9 8 26 1 10 8 29 1 11 9 26 2 12 10 11 1 13 10 12 1 14 10 15 1 15 11 13 1 16 11 16 1 17 12 14 1 18 13 14 1 19 15 17 1 20 16 18 2 21 17 20 2 22 18 19 1 23 19 22 1 24 20 21 1 25 21 23 1 26 23 24 1 27 24 26 1 28 25 27 ar 29 25 28 ar 30 27 30 ar 31 28 31 ar 32 29 33 1 33 29 34 1 34 30 32 ar 35 30 35 1 36 31 32 ar 37 4 36 1 38 5 37 1 39 6 38 1 40 10 39 1 41 11 40 1 42 12 41 1 43 13 42 1 44 14 43 1 45 14 44 1 46 15 45 1 47 15 46 1 48 16 47 1 49 17 48 1 50 18 49 1 51 19 50 1 52 20 51 1 53 21 52 1 54 21 53 1 55 22 54 1 56 22 55 1 57 23 56 1 58 23 57 1 59 24 58 1 60 24 59 1 61 27 60 1 62 28 61 1 63 29 62 1 64 31 63 1 65 32 64 1 66 33 65 1 67 33 66 1 68 33 67 1 69 34 68 1 70 34 69 1 71 34 70 1