@MOLECULE 2-(carbamoylamino)ethanesulfonic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.6585 -0.0968 0.0463 S.O2 1 UNL1111111111 2.4116 2 O -1.7628 -0.9621 -1.3590 O.3 1 UNL1111111111 -0.8444 3 O -2.9552 0.4767 0.2758 O.2 1 UNL1111111111 -0.8905 4 O -1.0689 -0.9651 1.0393 O.2 1 UNL1111111111 -0.9304 5 O 2.8392 0.6859 -0.9114 O.2 1 UNL1111111111 -0.5737 6 N 1.4359 0.2302 0.8532 N.am 1 UNL1111111111 -0.6133 7 N 3.0766 -1.3194 0.1419 N.am 1 UNL1111111111 -0.6996 8 C -0.4891 1.1140 -0.4960 C.3 1 UNL1111111111 -0.6374 9 C 0.6225 1.4053 0.5320 C.3 1 UNL1111111111 -0.0262 10 C 2.4672 -0.0812 -0.0406 C.2 1 UNL1111111111 0.7145 11 H -0.0095 0.7850 -1.4517 H 1 UNL1111111111 0.2176 12 H -1.0025 2.0607 -0.7646 H 1 UNL1111111111 0.1958 13 H 1.2894 2.2095 0.1236 H 1 UNL1111111111 0.1751 14 H 0.2023 1.8003 1.4874 H 1 UNL1111111111 0.1487 15 H 0.9499 -0.5157 1.3557 H 1 UNL1111111111 0.3398 16 H -2.4220 -1.6618 -1.4223 H 1 UNL1111111111 0.3918 17 H 2.9128 -1.8780 0.9507 H 1 UNL1111111111 0.3046 18 H 3.9252 -1.5000 -0.3598 H 1 UNL1111111111 0.3161 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 8 1 5 2 16 1 6 5 10 2 7 6 9 1 8 6 10 am 9 6 15 1 10 7 10 am 11 7 17 1 12 7 18 1 13 8 9 1 14 8 11 1 15 8 12 1 16 9 13 1 17 9 14 1