@MOLECULE FDBD00862 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.5170 -0.1564 0.0102 S.O2 1 UNK 0.0793 2 S1 4.5170 0.1563 0.0109 S.O2 1 UNK 0.0793 3 O -3.0163 0.4873 -0.0093 O.3 1 UNK -0.2387 4 O1 3.0163 -0.4872 -0.0122 O.3 1 UNK -0.2387 5 O2 -4.7490 -0.7979 1.2883 O.2 1 UNK -0.1475 6 O3 -4.7668 -0.8337 -1.2460 O.2 1 UNK -0.1475 7 O4 4.7442 0.8017 1.2879 O.2 1 UNK -0.1475 8 O5 4.7715 0.8298 -1.2464 O.2 1 UNK -0.1475 9 C -0.6222 0.4404 -0.0252 C.3 1 UNK -0.0250 10 C1 0.6223 -0.4403 -0.0373 C.3 1 UNK -0.0250 11 C2 -1.8980 -0.3894 -0.0047 C.3 1 UNK 0.0766 12 C3 1.8981 0.3893 -0.0145 C.3 1 UNK 0.0766 13 C4 -5.4021 1.3818 -0.0053 C.3 1 UNK 0.0817 14 C5 5.4021 -1.3818 0.0035 C.3 1 UNK 0.0817 15 H -0.6215 1.0540 -0.9018 H 1 UNK 0.0289 16 H1 -0.5990 1.0390 0.8614 H 1 UNK 0.0289 17 H2 0.6143 -1.0401 -0.9234 H 1 UNK 0.0289 18 H3 0.6065 -1.0528 0.8399 H 1 UNK 0.0289 19 H4 -1.9312 -1.0188 -0.8694 H 1 UNK 0.0584 20 H5 -1.9195 -1.0004 0.8734 H 1 UNK 0.0584 21 H6 1.9347 1.0161 -0.8810 H 1 UNK 0.0584 22 H7 1.9163 1.0028 0.8619 H 1 UNK 0.0584 23 H8 -5.2319 1.9005 0.9150 H 1 UNK 0.0489 24 H9 -6.4487 1.1900 -0.1184 H 1 UNK 0.0489 25 H10 -5.0593 1.9823 -0.8219 H 1 UNK 0.0489 26 H11 5.2285 -1.8977 0.9247 H 1 UNK 0.0489 27 H12 6.4491 -1.1903 -0.1062 H 1 UNK 0.0489 28 H13 5.0624 -1.9849 -0.8125 H 1 UNK 0.0489 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 13 1 5 2 4 1 6 2 7 2 7 2 8 2 8 2 14 1 9 3 11 1 10 4 12 1 11 9 10 1 12 9 11 1 13 10 12 1 14 9 15 1 15 9 16 1 16 10 17 1 17 10 18 1 18 11 19 1 19 11 20 1 20 12 21 1 21 12 22 1 22 13 23 1 23 13 24 1 24 13 25 1 25 14 26 1 26 14 27 1 27 14 28 1