@MOLECULE FDBD01405 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.9148 -1.5454 0.2370 S.O2 1 UNK -0.0016 2 O 1.1816 1.5794 -1.4616 O.2 1 UNK -0.2701 3 O1 -0.4349 3.2063 -0.1724 O.3 1 UNK -0.4943 4 O2 -3.0904 -2.7035 -0.0698 O.2 1 UNK -0.1693 5 O3 -4.6553 -1.4914 1.4882 O.2 1 UNK -0.1693 6 N 4.9246 -0.8800 -0.1001 N.4 1 UNK 0.2383 7 N1 1.2152 -0.5629 -0.5711 N.am 1 UNK -0.3059 8 N2 -4.7132 1.3217 0.8980 N.pl3 1 UNK -0.3564 9 C 3.5372 -0.4786 0.1708 C.3 1 UNK -0.0048 10 C1 3.2310 -1.1967 1.4868 C.3 1 UNK -0.0034 11 C2 4.5848 -1.4035 2.1569 C.3 1 UNK -0.0074 12 C3 5.5998 -0.8039 1.1979 C.3 1 UNK -0.0314 13 C4 2.5650 -0.8798 -0.9315 C.3 1 UNK 0.0548 14 C5 5.5841 -0.0432 -1.0952 C.3 1 UNK -0.0345 15 C6 7.0344 -0.4394 -1.2801 C.3 1 UNK -0.0245 16 C7 0.6212 0.6609 -0.8695 C.2 1 UNK 0.2478 17 C8 -0.7777 0.8439 -0.4042 C.ar 1 UNK 0.0801 18 C9 -2.9001 -0.1226 0.1229 C.ar 1 UNK 0.1096 19 C10 -1.5833 -0.2739 -0.3117 C.ar 1 UNK -0.0194 20 C11 -1.2335 2.1058 -0.0800 C.ar 1 UNK 0.1340 21 C12 -3.3839 1.1427 0.4557 C.ar 1 UNK 0.0532 22 C13 -2.5505 2.2569 0.3543 C.ar 1 UNK 0.0033 23 C14 -5.0950 -1.3462 -1.0769 C.3 1 UNK 0.0681 24 C15 -6.0675 -2.5032 -1.1288 C.3 1 UNK -0.0453 25 C16 0.3212 3.5568 0.9846 C.3 1 UNK 0.0788 26 H 4.9568 -1.8161 -0.5038 H 1 UNK 0.2037 27 H1 0.6845 -1.2395 -0.0917 H 1 UNK 0.1492 28 H2 -5.3149 0.5463 0.9754 H 1 UNK 0.1424 29 H3 -5.0381 2.2219 1.1289 H 1 UNK 0.1424 30 H4 3.4253 0.5843 0.2213 H 1 UNK 0.0867 31 H5 2.7582 -2.1380 1.2989 H 1 UNK 0.0322 32 H6 2.5630 -0.6322 2.1032 H 1 UNK 0.0322 33 H7 4.7762 -2.4462 2.3021 H 1 UNK 0.0319 34 H8 4.6273 -0.9446 3.1226 H 1 UNK 0.0319 35 H9 5.8187 0.2109 1.4570 H 1 UNK 0.0814 36 H10 6.5400 -1.3145 1.2109 H 1 UNK 0.0814 37 H11 2.8190 -0.3556 -1.8290 H 1 UNK 0.0518 38 H12 2.6373 -1.9371 -1.0794 H 1 UNK 0.0518 39 H13 5.5404 0.9770 -0.7757 H 1 UNK 0.0812 40 H14 5.0791 -0.1715 -2.0298 H 1 UNK 0.0812 41 H15 7.5580 -0.3180 -0.3549 H 1 UNK 0.0281 42 H16 7.4816 0.1825 -2.0272 H 1 UNK 0.0281 43 H17 7.0881 -1.4625 -1.5888 H 1 UNK 0.0281 44 H18 -1.2170 -1.2062 -0.5601 H 1 UNK 0.0646 45 H19 -2.9084 3.1930 0.6006 H 1 UNK 0.0673 46 H20 -4.5718 -1.2898 -2.0086 H 1 UNK 0.0501 47 H21 -5.6498 -0.4492 -0.8965 H 1 UNK 0.0501 48 H22 -5.5317 -3.4117 -1.3087 H 1 UNK 0.0245 49 H23 -6.7716 -2.3421 -1.9182 H 1 UNK 0.0245 50 H24 -6.5873 -2.5743 -0.1962 H 1 UNK 0.0245 51 H25 0.9011 4.4324 0.7799 H 1 UNK 0.0660 52 H26 0.9738 2.7490 1.2424 H 1 UNK 0.0660 53 H27 -0.3439 3.7520 1.7997 H 1 UNK 0.0660 @BOND 1 1 4 2 2 1 5 2 3 1 18 1 4 1 23 1 5 2 16 2 6 3 20 1 7 3 25 1 8 6 9 1 9 6 12 1 10 6 14 1 11 7 13 1 12 7 16 am 13 8 21 1 14 9 10 1 15 9 13 1 16 10 11 1 17 11 12 1 18 14 15 1 19 16 17 1 20 17 19 ar 21 17 20 ar 22 18 19 ar 23 18 21 ar 24 20 22 ar 25 21 22 ar 26 23 24 1 27 6 26 1 28 7 27 1 29 8 28 1 30 8 29 1 31 9 30 1 32 10 31 1 33 10 32 1 34 11 33 1 35 11 34 1 36 12 35 1 37 12 36 1 38 13 37 1 39 13 38 1 40 14 39 1 41 14 40 1 42 15 41 1 43 15 42 1 44 15 43 1 45 19 44 1 46 22 45 1 47 23 46 1 48 23 47 1 49 24 48 1 50 24 49 1 51 24 50 1 52 25 51 1 53 25 52 1 54 25 53 1