@MOLECULE FDBD00271 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.9179 1.2515 -0.2893 S.O2 1 UNK 0.0560 2 O -0.4417 0.6935 1.8200 O.2 1 UNK -0.2701 3 O1 0.3585 -2.3795 0.6210 O.3 1 UNK -0.4944 4 O2 4.6183 2.5357 0.3281 O.2 1 UNK -0.1533 5 O3 6.1419 0.5466 0.0645 O.2 1 UNK -0.1533 6 N -4.6400 0.6756 -0.2668 N.4 1 UNK 0.2383 7 N1 -0.8727 0.6404 -0.4565 N.am 1 UNK -0.3059 8 N2 4.8585 1.4288 -1.9877 N.3 1 UNK -0.2035 9 C -3.2680 0.1513 -0.2187 C.3 1 UNK -0.0048 10 C1 -3.2482 -0.8487 -1.3767 C.3 1 UNK -0.0034 11 C2 -4.7017 -1.2645 -1.5748 C.3 1 UNK -0.0074 12 C3 -5.4824 -0.4954 -0.5220 C.3 1 UNK -0.0314 13 C4 -2.2029 1.2281 -0.3834 C.3 1 UNK 0.0548 14 C5 -5.0384 1.3635 0.9553 C.3 1 UNK -0.0345 15 C6 -6.4659 1.8742 0.8575 C.3 1 UNK -0.0245 16 C7 -0.1049 0.4250 0.6698 C.2 1 UNK 0.2478 17 C8 1.2396 -0.1574 0.4244 C.ar 1 UNK 0.0801 18 C9 2.2941 0.7089 0.2136 C.ar 1 UNK -0.0197 19 C10 1.4022 -1.5280 0.4125 C.ar 1 UNK 0.1323 20 C11 3.5643 0.1817 -0.0194 C.ar 1 UNK 0.1060 21 C12 2.6725 -2.0551 0.1792 C.ar 1 UNK -0.0173 22 C13 3.7536 -1.2003 -0.0367 C.ar 1 UNK -0.0319 23 C14 0.6452 -3.7758 0.5860 C.3 1 UNK 0.0788 24 H -4.7288 1.3876 -0.9918 H 1 UNK 0.2037 25 H1 -0.5099 0.3890 -1.3365 H 1 UNK 0.1492 26 H2 5.6124 2.0448 -2.2918 H 1 UNK 0.1442 27 H3 3.9608 1.8319 -2.2563 H 1 UNK 0.1442 28 H4 -3.0336 -0.2825 0.7309 H 1 UNK 0.0867 29 H5 -2.6461 -1.6977 -1.1284 H 1 UNK 0.0322 30 H6 -2.8309 -0.4221 -2.2648 H 1 UNK 0.0322 31 H7 -4.8137 -2.3187 -1.4295 H 1 UNK 0.0319 32 H8 -5.0476 -1.0513 -2.5647 H 1 UNK 0.0319 33 H9 -6.4423 -0.2034 -0.8938 H 1 UNK 0.0814 34 H10 -5.6773 -1.0711 0.3586 H 1 UNK 0.0814 35 H11 -2.3939 1.7743 -1.2835 H 1 UNK 0.0518 36 H12 -2.2418 1.8783 0.4655 H 1 UNK 0.0518 37 H13 -4.3817 2.1922 1.1194 H 1 UNK 0.0812 38 H14 -4.9814 0.6703 1.7684 H 1 UNK 0.0812 39 H15 -6.5412 2.5698 0.0480 H 1 UNK 0.0281 40 H16 -6.7341 2.3607 1.7720 H 1 UNK 0.0281 41 H17 -7.1278 1.0517 0.6837 H 1 UNK 0.0281 42 H18 2.1448 1.7299 0.2282 H 1 UNK 0.0646 43 H19 2.8125 -3.0775 0.1663 H 1 UNK 0.0655 44 H20 4.6934 -1.5903 -0.2092 H 1 UNK 0.0638 45 H21 -0.2534 -4.3290 0.7631 H 1 UNK 0.0660 46 H22 1.3640 -4.0114 1.3428 H 1 UNK 0.0660 47 H23 1.0402 -4.0349 -0.3741 H 1 UNK 0.0660 @BOND 1 1 4 2 2 1 5 2 3 1 8 1 4 1 20 1 5 2 16 2 6 3 19 1 7 3 23 1 8 6 9 1 9 6 12 1 10 6 14 1 11 7 13 1 12 7 16 am 13 9 10 1 14 9 13 1 15 10 11 1 16 11 12 1 17 14 15 1 18 16 17 1 19 17 18 ar 20 17 19 ar 21 18 20 ar 22 19 21 ar 23 20 22 ar 24 21 22 ar 25 6 24 1 26 7 25 1 27 8 26 1 28 8 27 1 29 9 28 1 30 10 29 1 31 10 30 1 32 11 31 1 33 11 32 1 34 12 33 1 35 12 34 1 36 13 35 1 37 13 36 1 38 14 37 1 39 14 38 1 40 15 39 1 41 15 40 1 42 15 41 1 43 18 42 1 44 21 43 1 45 22 44 1 46 23 45 1 47 23 46 1 48 23 47 1