@MOLECULE FDBD00098 58 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1132 2.3381 -0.3089 O.3 1 UNK -0.4948 2 O1 -7.7611 -2.2552 -0.4420 O.co2 1 UNK -0.5446 3 O2 -8.2753 -0.2520 0.5010 O.co2 1 UNK -0.5446 4 C 3.3032 -0.3789 0.0393 C.3 1 UNK -0.0000 5 C1 3.5598 -2.9146 0.3124 C.3 1 UNK -0.0397 6 C2 5.1468 -1.6621 -1.1790 C.3 1 UNK -0.0397 7 C3 5.2734 -1.3799 1.3221 C.3 1 UNK -0.0397 8 C4 2.5680 -1.7418 0.2303 C.3 1 UNK -0.0404 9 C5 4.1487 -0.4938 -1.2640 C.3 1 UNK -0.0404 10 C6 4.2757 -0.2107 1.2444 C.3 1 UNK -0.0404 11 C7 4.3777 -2.9763 -0.9854 C.3 1 UNK -0.0473 12 C8 4.5036 -2.6954 1.5029 C.3 1 UNK -0.0473 13 C9 6.0857 -1.4408 0.0182 C.3 1 UNK -0.0473 14 C10 2.3355 0.7528 -0.0397 C.ar 1 UNK 0.0010 15 C11 2.7822 2.0641 -0.2106 C.ar 1 UNK 0.1238 16 C12 0.9677 0.4919 0.0589 C.ar 1 UNK -0.0468 17 C13 0.0494 1.5394 -0.0132 C.ar 1 UNK -0.0174 18 C14 1.8639 3.1116 -0.2826 C.ar 1 UNK -0.0191 19 C15 0.4974 2.8492 -0.1839 C.ar 1 UNK -0.0506 20 C16 -1.3680 1.2678 0.0898 C.ar 1 UNK -0.0173 21 C17 4.4823 3.7047 -0.4821 C.3 1 UNK 0.0788 22 C18 -1.8796 0.0487 -0.3561 C.ar 1 UNK -0.0463 23 C19 -2.2210 2.2242 0.6328 C.ar 1 UNK -0.0534 24 C20 -3.2532 -0.2289 -0.2637 C.ar 1 UNK -0.0173 25 C21 -3.5883 1.9654 0.7322 C.ar 1 UNK -0.0534 26 C22 -4.1203 0.7438 0.2885 C.ar 1 UNK -0.0172 27 C23 -3.7853 -1.4504 -0.7074 C.ar 1 UNK -0.0534 28 C24 -5.4940 0.4663 0.3809 C.ar 1 UNK -0.0452 29 C25 -5.1526 -1.7093 -0.6079 C.ar 1 UNK -0.0523 30 C26 -6.0053 -0.7530 -0.0648 C.ar 1 UNK -0.0021 31 C27 -7.4304 -1.0251 0.0379 C.2 1 UNK 0.0717 32 H 3.0261 -3.8328 0.4431 H 1 UNK 0.0301 33 H1 5.7193 -1.7119 -2.0816 H 1 UNK 0.0301 34 H2 5.9336 -1.2344 2.1515 H 1 UNK 0.0301 35 H3 1.9105 -1.9007 -0.5988 H 1 UNK 0.0276 36 H4 2.0217 -1.7010 1.1494 H 1 UNK 0.0276 37 H5 4.6899 0.4176 -1.4104 H 1 UNK 0.0276 38 H6 3.4849 -0.6744 -2.0836 H 1 UNK 0.0276 39 H7 3.7067 -0.1767 2.1499 H 1 UNK 0.0276 40 H8 4.8269 0.6966 1.1108 H 1 UNK 0.0276 41 H9 3.7179 -3.1270 -1.8142 H 1 UNK 0.0271 42 H10 5.0734 -3.7871 -0.9260 H 1 UNK 0.0271 43 H11 5.1975 -3.5079 1.5601 H 1 UNK 0.0271 44 H12 3.9292 -2.6471 2.4043 H 1 UNK 0.0271 45 H13 6.6149 -0.5201 -0.1125 H 1 UNK 0.0271 46 H14 6.7788 -2.2540 0.0749 H 1 UNK 0.0271 47 H15 0.6356 -0.4770 0.1853 H 1 UNK 0.0628 48 H16 2.1954 4.0807 -0.4089 H 1 UNK 0.0654 49 H17 -0.1820 3.6242 -0.2372 H 1 UNK 0.0625 50 H18 5.5477 3.7812 -0.5446 H 1 UNK 0.0660 51 H19 4.1319 4.2772 0.3512 H 1 UNK 0.0660 52 H20 4.0442 4.0811 -1.3828 H 1 UNK 0.0660 53 H21 -1.2420 -0.6563 -0.7580 H 1 UNK 0.0630 54 H22 -1.8417 3.1257 0.9622 H 1 UNK 0.0624 55 H23 -4.2152 2.6789 1.1359 H 1 UNK 0.0624 56 H24 -3.1585 -2.1639 -1.1112 H 1 UNK 0.0624 57 H25 -6.1316 1.1714 0.7825 H 1 UNK 0.0630 58 H26 -5.5320 -2.6107 -0.9373 H 1 UNK 0.0624 @BOND 1 1 15 1 2 1 21 1 3 2 31 ar 4 3 31 ar 5 4 8 1 6 4 9 1 7 4 10 1 8 4 14 1 9 5 8 1 10 5 11 1 11 5 12 1 12 6 9 1 13 6 11 1 14 6 13 1 15 7 10 1 16 7 12 1 17 7 13 1 18 14 15 ar 19 14 16 ar 20 15 18 ar 21 16 17 ar 22 17 19 ar 23 17 20 1 24 18 19 ar 25 20 22 ar 26 20 23 ar 27 22 24 ar 28 23 25 ar 29 24 26 ar 30 24 27 ar 31 25 26 ar 32 26 28 ar 33 27 29 ar 34 28 30 ar 35 29 30 ar 36 30 31 1 37 5 32 1 38 6 33 1 39 7 34 1 40 8 35 1 41 8 36 1 42 9 37 1 43 9 38 1 44 10 39 1 45 10 40 1 46 11 41 1 47 11 42 1 48 12 43 1 49 12 44 1 50 13 45 1 51 13 46 1 52 16 47 1 53 18 48 1 54 19 49 1 55 21 50 1 56 21 51 1 57 21 52 1 58 22 53 1 59 23 54 1 60 25 55 1 61 27 56 1 62 28 57 1 63 29 58 1