@MOLECULE FDBD00533 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7394 -2.1169 -1.0894 O.3 1 UNK -0.3819 2 O1 -2.2941 1.0781 -1.7979 O.3 1 UNK -0.5033 3 O2 -3.6584 0.5842 0.5722 O.3 1 UNK -0.5033 4 N 2.6359 1.0243 0.7030 N.4 1 UNK 0.2269 5 C 1.6787 -1.1447 -0.0373 C.3 1 UNK 0.1198 6 C1 0.2684 -0.6866 0.1208 C.ar 1 UNK -0.0104 7 C2 2.6376 0.0193 -0.3576 C.3 1 UNK -0.0030 8 C3 -0.3658 -0.0099 -0.9212 C.ar 1 UNK -0.0107 9 C4 -0.4164 -0.9343 1.3105 C.ar 1 UNK -0.0523 10 C5 -1.6849 0.4191 -0.7732 C.ar 1 UNK 0.1586 11 C6 -1.7353 -0.5053 1.4585 C.ar 1 UNK -0.0162 12 C7 -2.3696 0.1713 0.4166 C.ar 1 UNK 0.1582 13 C8 3.5645 2.1013 0.3950 C.3 1 UNK -0.0448 14 H 1.1361 -2.8493 -0.8880 H 1 UNK 0.2105 15 H1 -1.8271 1.2405 -2.5938 H 1 UNK 0.2923 16 H2 -4.0917 1.0393 -0.1228 H 1 UNK 0.2923 17 H3 2.9127 0.5847 1.5808 H 1 UNK 0.2012 18 H4 1.6969 1.4146 0.7824 H 1 UNK 0.2012 19 H5 1.9918 -1.5721 0.8923 H 1 UNK 0.0698 20 H6 3.6291 -0.3677 -0.4678 H 1 UNK 0.0843 21 H7 2.3072 0.4862 -1.2619 H 1 UNK 0.0843 22 H8 0.1408 0.1733 -1.8014 H 1 UNK 0.0659 23 H9 0.0529 -1.4350 2.0813 H 1 UNK 0.0622 24 H10 -2.2418 -0.6885 2.3388 H 1 UNK 0.0655 25 H11 4.5546 1.7049 0.3090 H 1 UNK 0.0777 26 H12 3.5387 2.8295 1.1786 H 1 UNK 0.0777 27 H13 3.2830 2.5616 -0.5290 H 1 UNK 0.0777 @BOND 1 1 5 1 2 2 10 1 3 3 12 1 4 4 7 1 5 4 13 1 6 5 6 1 7 5 7 1 8 6 8 ar 9 6 9 ar 10 8 10 ar 11 9 11 ar 12 10 12 ar 13 11 12 ar 14 1 14 1 15 2 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 7 20 1 21 7 21 1 22 8 22 1 23 9 23 1 24 11 24 1 25 13 25 1 26 13 26 1 27 13 27 1