@MOLECULE FDBD00034 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.7509 -1.5088 -2.1175 S.3 1 UNK -0.1759 2 O 1.2983 2.0308 -0.8892 O.2 1 UNK -0.2758 3 O1 -2.1637 -0.2769 1.4389 O.2 1 UNK -0.2737 4 O2 4.4181 -2.0946 0.9251 O.co2 1 UNK -0.5442 5 O3 5.7469 -1.3999 -0.7759 O.co2 1 UNK -0.5442 6 O4 -4.9838 -1.1600 -0.5671 O.co2 1 UNK -0.5482 7 O5 -6.6057 -0.8539 0.9897 O.co2 1 UNK -0.5482 8 N -0.0140 0.2979 -0.0702 N.am 1 UNK -0.3033 9 N1 6.0965 1.0018 0.5309 N.4 1 UNK 0.2249 10 N2 -3.6061 0.9555 0.1037 N.am 1 UNK -0.3085 11 C 3.6846 0.9528 0.1116 C.3 1 UNK 0.0039 12 C1 2.3556 0.2273 0.3324 C.3 1 UNK 0.0294 13 C2 -1.2834 0.7853 -0.5578 C.3 1 UNK 0.1081 14 C3 4.8663 0.2491 0.7881 C.3 1 UNK 0.0164 15 C4 1.1809 0.9707 -0.2805 C.2 1 UNK 0.2138 16 C5 -1.5867 0.3012 -1.9779 C.3 1 UNK 0.0177 17 C6 -2.3722 0.4241 0.4507 C.2 1 UNK 0.2344 18 C7 5.0800 -1.1415 0.2183 C.2 1 UNK 0.0894 19 C8 -4.7985 0.7329 0.8876 C.3 1 UNK 0.0512 20 C9 -5.5621 -0.4936 0.4591 C.2 1 UNK 0.0588 21 H -2.0185 -1.8415 -3.4088 H 1 UNK 0.1017 22 H1 0.0040 -0.5481 0.4330 H 1 UNK 0.1495 23 H2 5.9991 1.9483 0.8985 H 1 UNK 0.2001 24 H3 6.2660 1.0431 -0.4741 H 1 UNK 0.2001 25 H4 6.8809 0.5381 0.9892 H 1 UNK 0.2001 26 H5 -3.6714 1.5064 -0.7096 H 1 UNK 0.1491 27 H6 3.6035 1.9429 0.5091 H 1 UNK 0.0328 28 H7 3.8753 0.9615 -0.9412 H 1 UNK 0.0328 29 H8 2.1886 0.1288 1.3847 H 1 UNK 0.0360 30 H9 2.4222 -0.7279 -0.1452 H 1 UNK 0.0360 31 H10 -1.2448 1.8513 -0.6417 H 1 UNK 0.0603 32 H11 4.6456 0.1893 1.8334 H 1 UNK 0.0915 33 H12 -2.5041 0.7491 -2.2985 H 1 UNK 0.0397 34 H13 -0.7564 0.5873 -2.5891 H 1 UNK 0.0397 35 H14 -5.4374 1.5853 0.7867 H 1 UNK 0.0523 36 H15 -4.4923 0.5823 1.9017 H 1 UNK 0.0523 @BOND 1 1 16 1 2 2 15 2 3 3 17 2 4 4 18 ar 5 5 18 ar 6 6 20 ar 7 7 20 ar 8 8 13 1 9 8 15 am 10 9 14 1 11 10 17 am 12 10 19 1 13 11 12 1 14 11 14 1 15 12 15 1 16 13 16 1 17 13 17 1 18 14 18 1 19 19 20 1 20 1 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 14 32 1 32 16 33 1 33 16 34 1 34 19 35 1 35 19 36 1