@MOLECULE (2r)-2-methylpentanedioic acid 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3337 -1.4891 0.6215 O.3 1 UNL11111111111 -0.5744 2 O -2.1026 -0.6035 -1.4075 O.2 1 UNL11111111111 -0.4989 3 O 3.2326 -1.0878 0.2385 O.3 1 UNL11111111111 -0.5677 4 O 2.8769 0.9666 -0.5484 O.2 1 UNL11111111111 -0.5042 5 C -1.3123 0.6283 0.5596 C.3 1 UNL11111111111 -0.1538 6 C 0.1161 0.8540 0.0469 C.3 1 UNL11111111111 -0.2615 7 C 1.0408 -0.2982 0.4431 C.3 1 UNL11111111111 -0.3521 8 C -2.1721 1.8756 0.3520 C.3 1 UNL11111111111 -0.4430 9 C -1.9375 -0.4988 -0.2228 C.2 1 UNL11111111111 0.6290 10 C 2.4331 -0.0186 -0.0220 C.2 1 UNL11111111111 0.6479 11 H -1.2894 0.3696 1.6504 H 1 UNL11111111111 0.1745 12 H 0.1140 0.9843 -1.0579 H 1 UNL11111111111 0.1742 13 H 0.5119 1.8128 0.4436 H 1 UNL11111111111 0.1664 14 H 0.6852 -1.2644 0.0176 H 1 UNL11111111111 0.1891 15 H 1.0385 -0.4581 1.5446 H 1 UNL11111111111 0.1846 16 H -2.2425 2.1479 -0.7111 H 1 UNL11111111111 0.1664 17 H -1.7555 2.7394 0.8848 H 1 UNL11111111111 0.1573 18 H -3.1953 1.7297 0.7202 H 1 UNL11111111111 0.1540 19 H -2.7661 -2.2536 0.1706 H 1 UNL11111111111 0.3551 20 H 4.1693 -0.9636 -0.0515 H 1 UNL11111111111 0.3571 @BOND 1 1 9 1 2 1 19 1 3 2 9 2 4 3 10 1 5 3 20 1 6 4 10 2 7 5 6 1 8 5 8 1 9 5 9 1 10 5 11 1 11 6 7 1 12 6 12 1 13 6 13 1 14 7 10 1 15 7 14 1 16 7 15 1 17 8 16 1 18 8 17 1 19 8 18 1