@MOLECULE aces 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5281 -0.2069 -0.0097 S.O2 1 UNL1111111111 2.3970 2 O 3.2833 1.2207 0.3637 O.3 1 UNL1111111111 -0.8491 3 O 2.4456 -0.2464 -1.4462 O.2 1 UNL1111111111 -0.9096 4 O 3.1935 -1.2539 0.7110 O.2 1 UNL1111111111 -0.8797 5 O -4.6943 0.5907 0.4579 O.2 1 UNL1111111111 -0.5252 6 N -1.4322 0.2789 0.2878 N.3 1 UNL1111111111 -0.5408 7 N -3.8602 -1.4224 -0.1305 N.am 1 UNL1111111111 -0.6680 8 C -0.1063 0.5905 -0.3003 C.3 1 UNL1111111111 -0.0790 9 C 0.9532 0.1416 0.7202 C.3 1 UNL1111111111 -0.6046 10 C -2.5449 0.6155 -0.6214 C.3 1 UNL1111111111 -0.2089 11 C -3.7901 -0.0504 -0.0333 C.2 1 UNL1111111111 0.5790 12 H 0.0168 1.6667 -0.5523 H 1 UNL1111111111 0.1261 13 H -0.0176 0.0272 -1.2625 H 1 UNL1111111111 0.1677 14 H 0.5875 -0.7699 1.2538 H 1 UNL1111111111 0.2080 15 H 1.0603 0.9056 1.5194 H 1 UNL1111111111 0.1921 16 H -1.5544 0.7507 1.1860 H 1 UNL1111111111 0.2641 17 H -2.7328 1.7077 -0.7244 H 1 UNL1111111111 0.1532 18 H -2.3455 0.2290 -1.6443 H 1 UNL1111111111 0.1656 19 H 4.0954 1.4383 -0.1047 H 1 UNL1111111111 0.3905 20 H -4.6271 -1.9153 0.2823 H 1 UNL1111111111 0.3114 21 H -3.0644 -1.9636 -0.4035 H 1 UNL1111111111 0.3102 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 9 1 5 2 19 1 6 5 11 2 7 6 8 1 8 6 10 1 9 6 16 1 10 7 11 am 11 7 20 1 12 7 21 1 13 8 9 1 14 8 12 1 15 8 13 1 16 9 14 1 17 9 15 1 18 10 11 1 19 10 17 1 20 10 18 1