@MOLECULE (3s)-3-methylhexanedioic acid 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9581 1.7533 0.1529 O.3 1 UNL1111111111 -0.5835 2 O 3.4322 1.2398 0.4423 O.3 1 UNL1111111111 -0.5749 3 O -2.0918 0.4053 -1.3847 O.2 1 UNL1111111111 -0.5041 4 O 3.1471 -0.4434 -0.9879 O.2 1 UNL1111111111 -0.5005 5 C -0.7783 -1.2061 0.7144 C.3 1 UNL1111111111 -0.0529 6 C 0.4611 -0.8334 -0.1145 C.3 1 UNL1111111111 -0.2835 7 C -1.6716 0.0129 1.0067 C.3 1 UNL1111111111 -0.3662 8 C -1.5738 -2.2959 -0.0096 C.3 1 UNL1111111111 -0.4640 9 C 1.4222 0.0652 0.6665 C.3 1 UNL1111111111 -0.3472 10 C -2.2122 0.6723 -0.2198 C.2 1 UNL1111111111 0.6574 11 C 2.7118 0.2069 -0.0764 C.2 1 UNL1111111111 0.6469 12 H -0.4388 -1.6149 1.7010 H 1 UNL1111111111 0.1347 13 H 0.1576 -0.3458 -1.0652 H 1 UNL1111111111 0.1750 14 H 0.9869 -1.7587 -0.4350 H 1 UNL1111111111 0.1657 15 H -2.5253 -0.2928 1.6557 H 1 UNL1111111111 0.1816 16 H -1.1166 0.7639 1.6120 H 1 UNL1111111111 0.1801 17 H -1.8771 -1.9703 -1.0158 H 1 UNL1111111111 0.1721 18 H -0.9813 -3.2095 -0.1332 H 1 UNL1111111111 0.1499 19 H -2.4836 -2.5666 0.5349 H 1 UNL1111111111 0.1424 20 H 1.6279 -0.3523 1.6761 H 1 UNL1111111111 0.1773 21 H 0.9762 1.0675 0.8492 H 1 UNL1111111111 0.1797 22 H -3.3540 2.2447 -0.6062 H 1 UNL1111111111 0.3574 23 H 4.3017 1.3826 -0.0040 H 1 UNL1111111111 0.3565 @BOND 1 1 10 1 2 1 22 1 3 2 11 1 4 2 23 1 5 3 10 2 6 4 11 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 12 1 11 6 9 1 12 6 13 1 13 6 14 1 14 7 10 1 15 7 15 1 16 7 16 1 17 8 17 1 18 8 18 1 19 8 19 1 20 9 11 1 21 9 20 1 22 9 21 1