@MOLECULE 2,2-dimethylbutyl 4-methylpentanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2941 0.4263 -0.3567 C.3 1 UNL11111111 -0.0564 2 C -5.5742 -0.4192 -0.3610 C.3 1 UNL11111111 -0.4562 3 C -4.4502 1.6082 0.6071 C.3 1 UNL11111111 -0.4541 4 C -3.0995 -0.4574 0.0448 C.3 1 UNL11111111 -0.2711 5 C -1.7649 0.2358 -0.2393 C.3 1 UNL11111111 -0.3500 6 C -0.6302 -0.6852 0.0912 C.2 1 UNL11111111 0.6042 7 O -0.6786 -1.8404 0.4263 O.2 1 UNL11111111 -0.5135 8 O 0.5428 -0.0177 -0.0478 O.3 1 UNL11111111 -0.4340 9 C 1.7296 -0.7725 0.2250 C.3 1 UNL11111111 -0.0473 10 C 2.9011 0.1973 -0.0538 C.3 1 UNL11111111 0.0866 11 C 2.8498 0.6257 -1.5247 C.3 1 UNL11111111 -0.4564 12 C 2.7653 1.4204 0.8592 C.3 1 UNL11111111 -0.4554 13 C 4.1986 -0.5856 0.2567 C.3 1 UNL11111111 -0.2788 14 C 5.4715 0.2280 0.0304 C.3 1 UNL11111111 -0.4299 15 H -4.1250 0.8224 -1.3868 H 1 UNL11111111 0.1285 16 H -6.4453 0.1787 -0.6487 H 1 UNL11111111 0.1417 17 H -5.5012 -1.2532 -1.0675 H 1 UNL11111111 0.1443 18 H -5.7789 -0.8419 0.6287 H 1 UNL11111111 0.1472 19 H -4.5723 1.2690 1.6416 H 1 UNL11111111 0.1469 20 H -3.5793 2.2706 0.5757 H 1 UNL11111111 0.1404 21 H -5.3287 2.2115 0.3557 H 1 UNL11111111 0.1414 22 H -3.1676 -0.7327 1.1155 H 1 UNL11111111 0.1531 23 H -3.1410 -1.4232 -0.4994 H 1 UNL11111111 0.1556 24 H -1.6961 0.5443 -1.3043 H 1 UNL11111111 0.1755 25 H -1.6740 1.1771 0.3436 H 1 UNL11111111 0.1772 26 H 1.6953 -1.1036 1.2763 H 1 UNL11111111 0.1352 27 H 1.7457 -1.6540 -0.4382 H 1 UNL11111111 0.1360 28 H 1.8676 1.0468 -1.7751 H 1 UNL11111111 0.1558 29 H 3.5988 1.3923 -1.7476 H 1 UNL11111111 0.1447 30 H 3.0273 -0.2190 -2.1980 H 1 UNL11111111 0.1434 31 H 2.8199 1.1444 1.9172 H 1 UNL11111111 0.1435 32 H 3.5539 2.1542 0.6653 H 1 UNL11111111 0.1444 33 H 1.8036 1.9245 0.6992 H 1 UNL11111111 0.1558 34 H 4.1725 -0.9365 1.3070 H 1 UNL11111111 0.1378 35 H 4.2339 -1.4993 -0.3681 H 1 UNL11111111 0.1376 36 H 6.3636 -0.3763 0.2322 H 1 UNL11111111 0.1392 37 H 5.5447 0.5863 -1.0023 H 1 UNL11111111 0.1439 38 H 5.5137 1.1032 0.6881 H 1 UNL11111111 0.1433 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 9 26 1 26 9 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 14 38 1