@MOLECULE FDBD00068 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9747 0.6459 -1.6586 O.3 1 UNK -0.5033 2 O1 6.3605 1.1186 0.2735 O.3 1 UNK -0.5033 3 O2 -6.9745 -0.7393 0.5343 O.3 1 UNK -0.5033 4 O3 6.6618 -1.6342 0.0326 O.3 1 UNK -0.5033 5 C -0.7850 0.9751 0.4564 C.3 1 UNK -0.0370 6 C1 0.7530 0.8467 0.7002 C.3 1 UNK -0.0370 7 C2 -1.4015 -0.2716 -0.2196 C.3 1 UNK -0.0247 8 C3 1.5754 0.7249 -0.6064 C.3 1 UNK -0.0247 9 C4 -1.1020 2.2467 -0.3490 C.3 1 UNK -0.0619 10 C5 1.3309 1.9942 1.5408 C.3 1 UNK -0.0619 11 C6 -2.8948 -0.3955 -0.0212 C.ar 1 UNK -0.0434 12 C7 2.9371 0.0972 -0.4343 C.ar 1 UNK -0.0434 13 C8 -3.7510 0.1880 -0.9401 C.ar 1 UNK -0.0133 14 C9 4.0282 0.9058 -0.1578 C.ar 1 UNK -0.0133 15 C10 -3.3767 -1.0891 1.0764 C.ar 1 UNK -0.0549 16 C11 3.0723 -1.2769 -0.5568 C.ar 1 UNK -0.0549 17 C12 -5.1290 0.0744 -0.7562 C.ar 1 UNK 0.1585 18 C13 5.2868 0.3257 0.0004 C.ar 1 UNK 0.1585 19 C14 -4.7547 -1.2027 1.2603 C.ar 1 UNK -0.0163 20 C15 4.3307 -1.8570 -0.3987 C.ar 1 UNK -0.0163 21 C16 -5.6309 -0.6210 0.3439 C.ar 1 UNK 0.1582 22 C17 5.4381 -1.0557 -0.1201 C.ar 1 UNK 0.1582 23 H -5.6293 1.1113 -2.3949 H 1 UNK 0.2923 24 H1 6.2502 2.0457 0.3528 H 1 UNK 0.2923 25 H2 -7.5701 -0.3517 -0.0764 H 1 UNK 0.2923 26 H3 7.4109 -1.1034 0.2199 H 1 UNK 0.2923 27 H4 -1.2404 1.0491 1.4218 H 1 UNK 0.0304 28 H5 0.8465 -0.0664 1.2501 H 1 UNK 0.0304 29 H6 -0.9333 -1.1430 0.1881 H 1 UNK 0.0316 30 H7 -1.2334 -0.1717 -1.2716 H 1 UNK 0.0316 31 H8 1.7089 1.7070 -1.0097 H 1 UNK 0.0316 32 H9 1.0222 0.0774 -1.2542 H 1 UNK 0.0316 33 H10 -0.6490 2.1786 -1.3160 H 1 UNK 0.0233 34 H11 -0.7156 3.1010 0.1665 H 1 UNK 0.0233 35 H12 -2.1619 2.3450 -0.4578 H 1 UNK 0.0233 36 H13 1.2421 2.9128 0.9993 H 1 UNK 0.0233 37 H14 2.3627 1.8003 1.7476 H 1 UNK 0.0233 38 H15 0.7906 2.0692 2.4613 H 1 UNK 0.0233 39 H16 -3.3736 0.7012 -1.7520 H 1 UNK 0.0658 40 H17 3.9106 1.9273 -0.0698 H 1 UNK 0.0658 41 H18 -2.7234 -1.5172 1.7509 H 1 UNK 0.0621 42 H19 2.2497 -1.8650 -0.7630 H 1 UNK 0.0621 43 H20 -5.1260 -1.7171 2.0743 H 1 UNK 0.0655 44 H21 4.4426 -2.8790 -0.4878 H 1 UNK 0.0655 @BOND 1 1 17 1 2 2 18 1 3 3 21 1 4 4 22 1 5 5 6 1 6 5 7 1 7 5 9 1 8 6 8 1 9 6 10 1 10 7 11 1 11 8 12 1 12 11 13 ar 13 11 15 ar 14 12 14 ar 15 12 16 ar 16 13 17 ar 17 14 18 ar 18 15 19 ar 19 16 20 ar 20 17 21 ar 21 18 22 ar 22 19 21 ar 23 20 22 ar 24 1 23 1 25 2 24 1 26 3 25 1 27 4 26 1 28 5 27 1 29 6 28 1 30 7 29 1 31 7 30 1 32 8 31 1 33 8 32 1 34 9 33 1 35 9 34 1 36 9 35 1 37 10 36 1 38 10 37 1 39 10 38 1 40 13 39 1 41 14 40 1 42 15 41 1 43 16 42 1 44 19 43 1 45 20 44 1