@MOLECULE FDBD01645 74 77 0 0 0 SMALL GASTEIGER @ATOM 1 F 6.7502 -1.5363 -0.9178 F 1 UNK -0.1659 2 F1 6.6627 0.0804 -2.3608 F 1 UNK -0.1659 3 F2 7.6638 0.3818 -0.4540 F 1 UNK -0.1659 4 F3 2.2314 3.8337 0.6850 F 1 UNK -0.1659 5 F4 4.3406 4.3385 0.7142 F 1 UNK -0.1659 6 F5 3.3263 4.0267 -1.1839 F 1 UNK -0.1659 7 O 0.1797 -0.5461 2.3793 O.2 1 UNK -0.2743 8 N -5.1358 1.1705 -0.1420 N.pl3 1 UNK -0.3050 9 N1 -7.7752 2.2340 -0.3909 N.4 1 UNK 0.2353 10 N2 0.1578 -0.5122 0.0550 N.am 1 UNK -0.2718 11 N3 -2.7928 1.6697 -0.0524 N.ar 1 UNK -0.2384 12 C -5.9806 0.7807 -1.2750 C.3 1 UNK 0.0538 13 C1 -5.4779 2.4482 0.4956 C.3 1 UNK 0.0538 14 C2 -7.4617 0.8953 -0.9053 C.3 1 UNK -0.0160 15 C3 -6.9747 2.5081 0.8089 C.3 1 UNK -0.0160 16 C4 2.3036 -1.1475 1.4108 C.3 1 UNK 0.0667 17 C5 -3.8031 0.7466 -0.0918 C.ar 1 UNK 0.1222 18 C6 3.2567 -0.1465 0.7443 C.ar 1 UNK -0.0319 19 C7 0.8080 -0.7094 1.3238 C.2 1 UNK 0.2296 20 C8 -1.1857 -0.1355 0.0053 C.ar 1 UNK 0.0620 21 C9 -2.2183 -1.0659 -0.0350 C.ar 1 UNK 0.0085 22 C10 2.7116 -1.1728 2.9118 C.3 1 UNK -0.0474 23 C11 2.4167 -2.6131 0.9266 C.3 1 UNK -0.0474 24 C12 -9.2023 2.3476 -0.0922 C.3 1 UNK -0.0430 25 C13 -3.5379 -0.6300 -0.0840 C.ar 1 UNK -0.0122 26 C14 -1.5229 1.2084 -0.0053 C.ar 1 UNK 0.0517 27 C15 2.9053 1.1815 0.7294 C.ar 1 UNK -0.0459 28 C16 4.4215 -0.6207 0.1912 C.ar 1 UNK -0.0459 29 C17 -1.9502 -2.4910 -0.0269 C.ar 1 UNK -0.0130 30 C18 0.9297 -0.7132 -1.2094 C.3 1 UNK 0.0084 31 C19 3.7719 2.0915 0.1238 C.ar 1 UNK 0.0556 32 C20 5.2882 0.2892 -0.4146 C.ar 1 UNK 0.0556 33 C21 4.9634 1.6454 -0.4482 C.ar 1 UNK -0.0385 34 C22 -1.7720 -3.1960 -1.2168 C.ar 1 UNK -0.0427 35 C23 -1.8716 -3.1550 1.1968 C.ar 1 UNK -0.0537 36 C24 6.5627 -0.1876 -1.0253 C.3 1 UNK 0.4174 37 C25 3.4248 3.5416 0.0881 C.3 1 UNK 0.4174 38 C26 -1.5147 -4.5666 -1.1828 C.ar 1 UNK -0.0583 39 C27 -1.8489 -2.5172 -2.5469 C.3 1 UNK -0.0391 40 C28 -1.6144 -4.5256 1.2307 C.ar 1 UNK -0.0612 41 C29 -1.4360 -5.2313 0.0410 C.ar 1 UNK -0.0615 42 H -7.5440 2.9238 -1.1058 H 1 UNK 0.2032 43 H1 -5.7625 -0.2315 -1.5447 H 1 UNK 0.0517 44 H2 -5.7782 1.4341 -2.0978 H 1 UNK 0.0517 45 H3 -5.2243 3.2505 -0.1654 H 1 UNK 0.0517 46 H4 -4.9295 2.5359 1.4102 H 1 UNK 0.0517 47 H5 -8.0549 0.7075 -1.7758 H 1 UNK 0.0830 48 H6 -7.6781 0.1781 -0.1413 H 1 UNK 0.0830 49 H7 -7.2049 1.7788 1.5572 H 1 UNK 0.0830 50 H8 -7.2105 3.4915 1.1585 H 1 UNK 0.0830 51 H9 2.6552 -0.1827 3.3135 H 1 UNK 0.0243 52 H10 3.7131 -1.5383 3.0031 H 1 UNK 0.0243 53 H11 2.0471 -1.8149 3.4513 H 1 UNK 0.0243 54 H12 2.1477 -2.6688 -0.1075 H 1 UNK 0.0243 55 H13 1.7573 -3.2302 1.5004 H 1 UNK 0.0243 56 H14 3.4233 -2.9536 1.0522 H 1 UNK 0.0243 57 H15 -9.4679 1.6315 0.6572 H 1 UNK 0.0778 58 H16 -9.7686 2.1609 -0.9806 H 1 UNK 0.0778 59 H17 -9.4145 3.3335 0.2654 H 1 UNK 0.0778 60 H18 -4.3124 -1.3114 -0.1142 H 1 UNK 0.0658 61 H19 -0.7574 1.8999 0.0246 H 1 UNK 0.0849 62 H20 2.0208 1.4985 1.1563 H 1 UNK 0.0626 63 H21 4.6500 -1.6266 0.2231 H 1 UNK 0.0626 64 H22 1.9339 -0.9971 -0.9729 H 1 UNK 0.0433 65 H23 0.9394 0.1981 -1.7701 H 1 UNK 0.0433 66 H24 0.4683 -1.4844 -1.7902 H 1 UNK 0.0433 67 H25 5.6045 2.3186 -0.8962 H 1 UNK 0.0629 68 H26 -2.0037 -2.6326 2.0770 H 1 UNK 0.0624 69 H27 -1.3826 -5.0888 -2.0631 H 1 UNK 0.0620 70 H28 -2.0508 -1.4761 -2.4049 H 1 UNK 0.0278 71 H29 -2.6334 -2.9568 -3.1268 H 1 UNK 0.0278 72 H30 -0.9176 -2.6330 -3.0608 H 1 UNK 0.0278 73 H31 -1.5561 -5.0174 2.1361 H 1 UNK 0.0618 74 H32 -1.2458 -6.2453 0.0661 H 1 UNK 0.0618 @BOND 1 1 36 1 2 2 36 1 3 3 36 1 4 4 37 1 5 5 37 1 6 6 37 1 7 7 19 2 8 8 12 1 9 8 13 1 10 8 17 1 11 9 14 1 12 9 15 1 13 9 24 1 14 10 19 am 15 10 20 1 16 10 30 1 17 11 17 ar 18 11 26 ar 19 12 14 1 20 13 15 1 21 16 18 1 22 16 19 1 23 16 22 1 24 16 23 1 25 17 25 ar 26 18 27 ar 27 18 28 ar 28 20 21 ar 29 20 26 ar 30 21 25 ar 31 21 29 1 32 27 31 ar 33 28 32 ar 34 29 34 ar 35 29 35 ar 36 31 33 ar 37 31 37 1 38 32 33 ar 39 32 36 1 40 34 38 ar 41 34 39 1 42 35 40 ar 43 38 41 ar 44 40 41 ar 45 9 42 1 46 12 43 1 47 12 44 1 48 13 45 1 49 13 46 1 50 14 47 1 51 14 48 1 52 15 49 1 53 15 50 1 54 22 51 1 55 22 52 1 56 22 53 1 57 23 54 1 58 23 55 1 59 23 56 1 60 24 57 1 61 24 58 1 62 24 59 1 63 25 60 1 64 26 61 1 65 27 62 1 66 28 63 1 67 30 64 1 68 30 65 1 69 30 66 1 70 33 67 1 71 35 68 1 72 38 69 1 73 39 70 1 74 39 71 1 75 39 72 1 76 40 73 1 77 41 74 1