@MOLECULE FDBD01664 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 11.3506 -0.2270 -0.2851 O.3 1 UNK -0.3950 2 O1 -5.0173 -2.3124 0.0788 O.2 1 UNK -0.4552 3 O2 -2.5238 -1.8534 1.1388 O.co2 1 UNK -0.8207 4 O3 -6.3551 -0.1418 -1.0395 O.2 1 UNK -0.4552 5 O4 -5.1139 2.2748 -0.9939 O.co2 1 UNK -0.8207 6 C 2.5835 0.0698 0.0415 C.3 1 UNK -0.0530 7 C1 3.9537 0.2785 0.6914 C.3 1 UNK -0.0531 8 C2 1.4113 0.3941 0.9728 C.3 1 UNK -0.0528 9 C3 5.0836 -0.0901 -0.2736 C.3 1 UNK -0.0531 10 C4 0.0136 0.2858 0.3499 C.3 1 UNK -0.0491 11 C5 6.4809 0.0872 0.3278 C.3 1 UNK -0.0530 12 C6 -1.1532 0.5473 1.3056 C.3 1 UNK -0.0277 13 C7 7.6114 -0.2100 -0.6598 C.3 1 UNK -0.0510 14 C8 -2.4903 0.4748 0.6480 C.2 1 UNK -0.0472 15 C9 8.9798 -0.0479 0.0005 C.3 1 UNK -0.0297 16 C10 -3.1382 1.5153 0.0920 C.2 1 UNK -0.0501 17 C11 -3.1079 -0.8862 0.6567 C.2 1 UNK -0.0552 18 C12 10.1109 -0.3824 -0.9616 C.3 1 UNK 0.0442 19 C13 -4.4981 1.3330 -0.5006 C.2 1 UNK -0.0555 20 C14 -4.4519 -1.0527 0.0609 C.1 1 UNK 0.0473 21 C15 -5.0999 -0.0184 -0.4781 C.1 1 UNK 0.0473 22 C16 -2.5984 2.9162 -0.0152 C.3 1 UNK -0.0398 23 C17 -4.6701 -3.0338 -1.0865 C.3 1 UNK 0.0898 24 C18 -7.3612 0.0794 -0.0710 C.3 1 UNK 0.0898 25 H 12.0782 -0.4382 -0.8908 H 1 UNK 0.2094 26 H1 2.5037 -0.9537 -0.2600 H 1 UNK 0.0265 27 H2 2.5224 0.7425 -0.7884 H 1 UNK 0.0265 28 H3 4.0242 -0.3374 1.5635 H 1 UNK 0.0265 29 H4 4.0525 1.3117 0.9515 H 1 UNK 0.0265 30 H5 1.5379 1.3973 1.3227 H 1 UNK 0.0265 31 H6 1.4424 -0.3441 1.7467 H 1 UNK 0.0265 32 H7 5.0060 0.5328 -1.1401 H 1 UNK 0.0265 33 H8 4.9711 -1.1277 -0.5093 H 1 UNK 0.0265 34 H9 -0.0969 -0.7032 -0.0431 H 1 UNK 0.0268 35 H10 -0.0376 1.0526 -0.3946 H 1 UNK 0.0268 36 H11 6.5772 -0.5753 1.1625 H 1 UNK 0.0265 37 H12 6.5733 1.1143 0.6130 H 1 UNK 0.0265 38 H13 -1.0348 1.5246 1.7249 H 1 UNK 0.0313 39 H14 -1.1273 -0.2204 2.0505 H 1 UNK 0.0313 40 H15 7.5401 0.4667 -1.4856 H 1 UNK 0.0266 41 H16 7.5135 -1.2225 -0.9917 H 1 UNK 0.0266 42 H17 9.0374 -0.7026 0.8448 H 1 UNK 0.0287 43 H18 9.0872 0.9736 0.3002 H 1 UNK 0.0287 44 H19 10.0094 -1.3930 -1.2980 H 1 UNK 0.0557 45 H20 10.0741 0.2728 -1.8067 H 1 UNK 0.0557 46 H21 -1.6267 2.9591 0.4307 H 1 UNK 0.0278 47 H22 -3.2545 3.5911 0.4936 H 1 UNK 0.0278 48 H23 -2.5303 3.1943 -1.0462 H 1 UNK 0.0278 49 H24 -5.1181 -4.0049 -1.0515 H 1 UNK 0.0670 50 H25 -3.6061 -3.1335 -1.1405 H 1 UNK 0.0670 51 H26 -5.0234 -2.5089 -1.9494 H 1 UNK 0.0670 52 H27 -8.3238 -0.0211 -0.5273 H 1 UNK 0.0670 53 H28 -7.2584 1.0655 0.3313 H 1 UNK 0.0670 54 H29 -7.2628 -0.6389 0.7159 H 1 UNK 0.0670 @BOND 1 1 18 1 2 2 20 2 3 2 23 1 4 3 17 0 5 4 21 2 6 4 24 1 7 5 19 0 8 6 7 1 9 6 8 1 10 7 9 1 11 8 10 1 12 9 11 1 13 10 12 1 14 11 13 1 15 12 14 1 16 13 15 1 17 14 16 2 18 14 17 1 19 15 18 1 20 16 19 1 21 16 22 1 22 17 20 2 23 19 21 2 24 20 21 0 25 1 25 1 26 6 26 1 27 6 27 1 28 7 28 1 29 7 29 1 30 8 30 1 31 8 31 1 32 9 32 1 33 9 33 1 34 10 34 1 35 10 35 1 36 11 36 1 37 11 37 1 38 12 38 1 39 12 39 1 40 13 40 1 41 13 41 1 42 15 42 1 43 15 43 1 44 18 44 1 45 18 45 1 46 22 46 1 47 22 47 1 48 22 48 1 49 23 49 1 50 23 50 1 51 23 51 1 52 24 52 1 53 24 53 1 54 24 54 1