@MOLECULE FDBD01194 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 F -6.2969 0.5100 -2.2800 F 1 UNK -0.1659 2 F1 -4.7865 1.7613 -3.2060 F 1 UNK -0.1659 3 F2 -4.3262 -0.3044 -2.7061 F 1 UNK -0.1659 4 F3 -2.4439 -3.7612 3.1821 F 1 UNK -0.1659 5 F4 -3.8000 -2.5084 2.0441 F 1 UNK -0.1659 6 F5 -3.2149 -4.4548 1.2709 F 1 UNK -0.1659 7 O 4.0498 1.6303 0.8082 O.3 1 UNK -0.4557 8 O1 5.5970 0.4902 2.0753 O.2 1 UNK -0.2449 9 N 1.4568 2.7450 1.0372 N.4 1 UNK 0.2399 10 N1 -1.3483 2.2905 0.7468 N.pl3 1 UNK -0.3197 11 N2 2.9230 -0.8617 -0.2605 N.pl3 1 UNK -0.3133 12 N3 -0.8388 -1.2562 -2.0602 N.ar 1 UNK -0.2548 13 C 0.6549 2.2971 2.1825 C.3 1 UNK -0.0156 14 C1 0.6491 3.6123 0.1710 C.3 1 UNK -0.0156 15 C2 -0.5727 1.5098 1.7189 C.3 1 UNK 0.0525 16 C3 -0.5798 2.8695 -0.3594 C.3 1 UNK 0.0525 17 C4 2.6549 3.4485 1.4937 C.3 1 UNK 0.0033 18 C5 -2.6931 1.9540 0.5563 C.ar 1 UNK 0.0305 19 C6 3.7293 2.4596 1.9174 C.3 1 UNK 0.1323 20 C7 -3.1428 1.5636 -0.7052 C.ar 1 UNK -0.0290 21 C8 -3.5840 2.0083 1.6282 C.ar 1 UNK -0.0406 22 C9 -4.4834 1.2273 -0.8944 C.ar 1 UNK 0.0566 23 C10 -4.9245 1.6722 1.4389 C.ar 1 UNK -0.0595 24 C11 -5.3742 1.2817 0.1777 C.ar 1 UNK -0.0500 25 C12 -4.9645 0.8095 -2.2426 C.3 1 UNK 0.4175 26 C13 5.0039 0.6833 1.0253 C.2 1 UNK 0.3412 27 C14 5.2467 -0.1113 -0.2052 C.ar 1 UNK 0.0801 28 C15 4.2261 -0.8479 -0.8063 C.ar 1 UNK 0.0454 29 C16 1.6498 -1.0068 -0.8409 C.ar 1 UNK 0.0421 30 C17 0.5827 -1.5880 -0.1428 C.ar 1 UNK 0.0215 31 C18 6.5265 -0.1114 -0.7598 C.ar 1 UNK -0.0460 32 C19 -0.6612 -1.6944 -0.7994 C.ar 1 UNK 0.0733 33 C20 4.4855 -1.5847 -1.9622 C.ar 1 UNK -0.0397 34 C21 0.7324 -2.0558 1.1738 C.ar 1 UNK -0.0503 35 C22 1.4699 -0.5545 -2.1402 C.ar 1 UNK -0.0218 36 C23 6.7859 -0.8483 -1.9155 C.ar 1 UNK -0.0609 37 C24 -1.7209 -2.2717 -0.1053 C.ar 1 UNK -0.0241 38 C25 -1.5724 -2.7369 1.2036 C.ar 1 UNK 0.0568 39 C26 5.7653 -1.5849 -2.5166 C.ar 1 UNK -0.0600 40 C27 -0.3443 -2.6290 1.8443 C.ar 1 UNK -0.0494 41 C28 0.2167 -0.7015 -2.6991 C.ar 1 UNK 0.0300 42 C29 -2.7328 -3.3504 1.9118 C.3 1 UNK 0.4175 43 H 1.7521 1.9282 0.5023 H 1 UNK 0.2036 44 H1 2.9019 -0.7474 0.7171 H 1 UNK 0.1522 45 H2 0.3324 3.1520 2.7394 H 1 UNK 0.0830 46 H3 1.2590 1.6582 2.7922 H 1 UNK 0.0830 47 H4 1.2467 3.9346 -0.6560 H 1 UNK 0.0830 48 H5 0.3174 4.4523 0.7448 H 1 UNK 0.0830 49 H6 -0.2532 0.5965 1.2621 H 1 UNK 0.0516 50 H7 -1.1907 1.3019 2.5673 H 1 UNK 0.0516 51 H8 -1.2001 3.5551 -0.8979 H 1 UNK 0.0516 52 H9 -0.2547 2.0803 -1.0046 H 1 UNK 0.0516 53 H10 2.4013 4.0702 2.3268 H 1 UNK 0.0848 54 H11 3.0327 4.0433 0.6885 H 1 UNK 0.0848 55 H12 4.6026 2.9907 2.2339 H 1 UNK 0.0752 56 H13 3.3730 1.8604 2.7291 H 1 UNK 0.0752 57 H14 -2.4838 1.5236 -1.4984 H 1 UNK 0.0641 58 H15 -3.2513 2.2972 2.5614 H 1 UNK 0.0636 59 H16 -5.5835 1.7125 2.2320 H 1 UNK 0.0618 60 H17 -6.3660 1.0330 0.0377 H 1 UNK 0.0623 61 H18 7.2816 0.4337 -0.3151 H 1 UNK 0.0626 62 H19 3.7304 -2.1296 -2.4071 H 1 UNK 0.0636 63 H20 1.6461 -1.9739 1.6464 H 1 UNK 0.0625 64 H21 2.2445 -0.1241 -2.6691 H 1 UNK 0.0651 65 H22 7.7329 -0.8485 -2.3257 H 1 UNK 0.0618 66 H23 -2.6388 -2.3581 -0.5691 H 1 UNK 0.0644 67 H24 5.9572 -2.1301 -3.3716 H 1 UNK 0.0618 68 H25 -0.2311 -2.9717 2.8112 H 1 UNK 0.0623 69 H26 0.0759 -0.3672 -3.6653 H 1 UNK 0.0830 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 4 42 1 5 5 42 1 6 6 42 1 7 7 19 1 8 7 26 1 9 8 26 2 10 9 13 1 11 9 14 1 12 9 17 1 13 10 15 1 14 10 16 1 15 10 18 1 16 11 28 1 17 11 29 1 18 12 32 ar 19 12 41 ar 20 13 15 1 21 14 16 1 22 17 19 1 23 18 20 ar 24 18 21 ar 25 20 22 ar 26 21 23 ar 27 22 24 ar 28 22 25 1 29 23 24 ar 30 26 27 1 31 27 28 ar 32 27 31 ar 33 28 33 ar 34 29 30 ar 35 29 35 ar 36 30 32 ar 37 30 34 ar 38 31 36 ar 39 32 37 ar 40 33 39 ar 41 34 40 ar 42 35 41 ar 43 36 39 ar 44 37 38 ar 45 38 40 ar 46 38 42 1 47 9 43 1 48 11 44 1 49 13 45 1 50 13 46 1 51 14 47 1 52 14 48 1 53 15 49 1 54 15 50 1 55 16 51 1 56 16 52 1 57 17 53 1 58 17 54 1 59 19 55 1 60 19 56 1 61 20 57 1 62 21 58 1 63 23 59 1 64 24 60 1 65 31 61 1 66 33 62 1 67 34 63 1 68 35 64 1 69 36 65 1 70 37 66 1 71 39 67 1 72 40 68 1 73 41 69 1