@MOLECULE FDBD00014 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4613 1.9562 1.0264 S.3 1 UNK -0.1536 2 O -3.0282 -2.7745 0.7862 O.2 1 UNK -0.2528 3 O1 5.9601 -0.7286 -0.8625 O.co2 1 UNK -0.5498 4 O2 5.2345 -0.1562 1.2118 O.co2 1 UNK -0.5498 5 N -1.6389 -1.0776 -0.0379 N.am 1 UNK -0.2937 6 N1 -3.8653 -0.8760 -0.3016 N.am 1 UNK -0.2940 7 C -1.7963 0.1561 -0.7847 C.3 1 UNK 0.0555 8 C1 -3.3272 0.3325 -0.8946 C.3 1 UNK 0.0529 9 C2 -1.1759 1.3861 -0.1164 C.3 1 UNK 0.0255 10 C3 -3.7881 1.5775 -0.1402 C.3 1 UNK 0.0143 11 C4 0.1515 1.1550 0.5864 C.3 1 UNK -0.0394 12 C5 1.2536 0.6369 -0.3410 C.3 1 UNK -0.0517 13 C6 -2.8641 -1.7026 0.2196 C.2 1 UNK 0.3002 14 C7 2.6265 0.4376 0.3075 C.3 1 UNK -0.0479 15 C8 3.7018 -0.0234 -0.6757 C.3 1 UNK -0.0132 16 C9 5.0173 -0.2989 0.0167 C.2 1 UNK 0.0417 17 H -0.7692 -1.4345 0.2544 H 1 UNK 0.1506 18 H1 -4.8256 -1.0905 -0.2693 H 1 UNK 0.1506 19 H2 -1.2874 0.0846 -1.7232 H 1 UNK 0.0528 20 H3 -3.6564 0.4696 -1.9034 H 1 UNK 0.0525 21 H4 -0.9040 2.1088 -0.8571 H 1 UNK 0.0431 22 H5 -3.9337 2.3926 -0.8180 H 1 UNK 0.0395 23 H6 -4.7206 1.4159 0.3590 H 1 UNK 0.0395 24 H7 0.0010 0.4382 1.3664 H 1 UNK 0.0276 25 H8 0.4770 2.1026 0.9619 H 1 UNK 0.0276 26 H9 1.3665 1.3380 -1.1414 H 1 UNK 0.0266 27 H10 0.9362 -0.3347 -0.6575 H 1 UNK 0.0266 28 H11 2.5337 -0.2988 1.0782 H 1 UNK 0.0269 29 H12 2.9355 1.3877 0.6905 H 1 UNK 0.0269 30 H13 3.8504 0.7411 -1.4094 H 1 UNK 0.0325 31 H14 3.3686 -0.9334 -1.1292 H 1 UNK 0.0325 @BOND 1 1 9 1 2 1 10 1 3 2 13 2 4 3 16 ar 5 4 16 ar 6 5 7 1 7 5 13 am 8 6 8 1 9 6 13 am 10 7 8 1 11 7 9 1 12 8 10 1 13 9 11 1 14 11 12 1 15 12 14 1 16 14 15 1 17 15 16 1 18 5 17 1 19 6 18 1 20 7 19 1 21 8 20 1 22 9 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 12 27 1 29 14 28 1 30 14 29 1 31 15 30 1 32 15 31 1