@MOLECULE 2-pentanyl 2-methylpropanoate 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2006 0.5694 -0.5353 C.3 1 UNL111111111 -0.1367 2 C -3.6074 0.3542 0.0168 C.3 1 UNL111111111 -0.4389 3 C -1.7419 2.0185 -0.3611 C.3 1 UNL111111111 -0.4398 4 C -1.2337 -0.3253 0.2099 C.2 1 UNL111111111 0.5979 5 O -1.4146 -0.9166 1.2425 O.2 1 UNL111111111 -0.5189 6 O -0.0641 -0.3710 -0.4670 O.3 1 UNL111111111 -0.4604 7 C 1.0166 -1.1422 0.0875 C.3 1 UNL111111111 0.1587 8 H 0.9001 -1.2035 1.1931 H 1 UNL111111111 0.1443 9 C 0.9567 -2.5216 -0.5585 C.3 1 UNL111111111 -0.4897 10 C 2.2664 -0.3513 -0.3150 C.3 1 UNL111111111 -0.3109 11 C 2.4202 0.9013 0.5559 C.3 1 UNL111111111 -0.2447 12 C 3.6015 1.7500 0.0883 C.3 1 UNL111111111 -0.4386 13 H -2.1755 0.3013 -1.6228 H 1 UNL111111111 0.1647 14 H -4.3386 0.9897 -0.4938 H 1 UNL111111111 0.1482 15 H -3.9292 -0.6888 -0.0961 H 1 UNL111111111 0.1539 16 H -3.6558 0.5817 1.0912 H 1 UNL111111111 0.1632 17 H -0.7260 2.1649 -0.7528 H 1 UNL111111111 0.1571 18 H -2.4043 2.7087 -0.8965 H 1 UNL111111111 0.1533 19 H -1.7378 2.3195 0.6938 H 1 UNL111111111 0.1542 20 H 0.9901 -2.4534 -1.6523 H 1 UNL111111111 0.1581 21 H 1.7881 -3.1538 -0.2308 H 1 UNL111111111 0.1546 22 H 0.0226 -3.0349 -0.2927 H 1 UNL111111111 0.1634 23 H 3.1625 -0.9923 -0.2303 H 1 UNL111111111 0.1475 24 H 2.1949 -0.0641 -1.3831 H 1 UNL111111111 0.1569 25 H 1.4878 1.4984 0.5194 H 1 UNL111111111 0.1416 26 H 2.5553 0.6146 1.6160 H 1 UNL111111111 0.1354 27 H 3.7320 2.6329 0.7240 H 1 UNL111111111 0.1414 28 H 4.5387 1.1837 0.1155 H 1 UNL111111111 0.1414 29 H 3.4590 2.1031 -0.9391 H 1 UNL111111111 0.1424 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 9 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 12 29 1