@MOLECULE ethyl (2s)-2-methylpentanoate 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5635 0.4915 -0.0979 C.3 1 UNL111111111 -0.1615 2 H 0.5076 0.8740 -1.1495 H 1 UNL111111111 0.1681 3 C 0.4867 1.6697 0.8746 C.3 1 UNL111111111 -0.4378 4 C 1.8476 -0.3312 0.0850 C.3 1 UNL111111111 -0.2726 5 C 3.0656 0.3917 -0.5010 C.3 1 UNL111111111 -0.2452 6 C 4.3267 -0.4545 -0.3249 C.3 1 UNL111111111 -0.4390 7 C -0.6268 -0.4040 0.1586 C.2 1 UNL111111111 0.5914 8 O -0.6453 -1.4838 0.6905 O.2 1 UNL111111111 -0.5172 9 O -1.7493 0.1886 -0.3160 O.3 1 UNL111111111 -0.4402 10 C -2.9779 -0.5332 -0.1441 C.3 1 UNL111111111 0.0067 11 C -4.0587 0.4870 -0.4632 C.3 1 UNL111111111 -0.4627 12 H -0.4483 2.2319 0.7473 H 1 UNL111111111 0.1572 13 H 0.5357 1.3385 1.9195 H 1 UNL111111111 0.1546 14 H 1.3159 2.3691 0.7145 H 1 UNL111111111 0.1539 15 H 2.0078 -0.5507 1.1590 H 1 UNL111111111 0.1546 16 H 1.7326 -1.3247 -0.3952 H 1 UNL111111111 0.1542 17 H 2.9028 0.6071 -1.5740 H 1 UNL111111111 0.1335 18 H 3.1999 1.3746 -0.0109 H 1 UNL111111111 0.1342 19 H 4.5283 -0.6582 0.7331 H 1 UNL111111111 0.1443 20 H 4.2367 -1.4211 -0.8339 H 1 UNL111111111 0.1454 21 H 5.2065 0.0526 -0.7355 H 1 UNL111111111 0.1389 22 H -2.9644 -1.3839 -0.8475 H 1 UNL111111111 0.1308 23 H -3.0389 -0.9132 0.8915 H 1 UNL111111111 0.1378 24 H -4.0112 1.3447 0.2204 H 1 UNL111111111 0.1579 25 H -3.9444 0.8835 -1.4807 H 1 UNL111111111 0.1590 26 H -5.0572 0.0433 -0.3817 H 1 UNL111111111 0.1536 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 6 21 1 21 10 22 1 22 10 23 1 23 11 24 1 24 11 25 1 25 11 26 1