@MOLECULE (4r)-7,7-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.3181 1.8804 0.1558 S.3 1 UNK1111111111 -0.0025 2 S 0.6752 1.9304 0.2172 S.3 1 UNK1111111111 0.0077 3 O -0.9075 -1.0190 -1.8260 O.2 0 UNK0 -0.5029 4 O 3.8491 -0.5306 -0.3739 O.3 1 UNK1 -0.5517 5 O 2.6919 -1.0665 1.4628 O.2 1 UNK1 -0.4862 6 N 0.3172 -1.0698 0.0670 N.am 1 UNK1 -0.6294 7 C -2.1472 -0.8315 0.2533 C.3 0 UNK0 0.0207 8 C -1.9903 0.4511 1.0894 C.3 1 UNK1 -0.3688 9 C -0.8965 -1.0040 -0.6165 C.2 0 UNK0 0.5676 10 C -3.3574 -0.7347 -0.6784 C.3 0 UNK0 -0.4485 11 C -2.3085 -2.0427 1.1774 C.3 0 UNK0 -0.4589 12 C 1.5137 -0.6119 -0.6401 C.3 1 UNK1 0.0398 13 C 1.3869 0.8578 -1.0807 C.3 1 UNK1 -0.3869 14 C 2.6992 -0.7725 0.2987 C.2 1 UNK1 0.6105 15 H -2.9848 0.7836 1.4547 H 1 UNK1 0.1808 16 H -1.3942 0.2642 2.0009 H 1 UNK1 0.1673 17 H -3.4660 -1.6471 -1.2818 H 0 UNK0 0.1648 18 H -4.2891 -0.5843 -0.1249 H 0 UNK0 0.1486 19 H -3.2545 0.0882 -1.4003 H 0 UNK0 0.1700 20 H -1.4825 -2.1487 1.8890 H 0 UNK0 0.1509 21 H -3.2360 -1.9757 1.7597 H 0 UNK0 0.1591 22 H -2.3584 -2.9766 0.6001 H 0 UNK0 0.1652 23 H 1.6668 -1.2598 -1.5567 H 1 UNK1 0.2011 24 H 0.3637 -1.0674 1.0799 H 1 UNK1 0.3297 25 H 2.3797 1.2793 -1.3434 H 1 UNK1 0.1925 26 H 0.7847 0.9102 -2.0144 H 1 UNK1 0.1971 27 H 4.6622 -0.6143 0.1871 H 1 UNK1 0.3625 @BOND 1 1 2 1 2 1 8 1 3 2 13 1 4 3 9 2 5 4 14 1 6 4 27 1 7 5 14 2 8 6 9 am 9 6 12 1 10 6 24 1 11 7 8 1 12 7 9 1 13 7 10 1 14 7 11 1 15 8 15 1 16 8 16 1 17 10 17 1 18 10 18 1 19 10 19 1 20 11 20 1 21 11 21 1 22 11 22 1 23 12 13 1 24 12 14 1 25 12 23 1 26 13 25 1 27 13 26 1