@MOLECULE 2,2-dimethylbutyl 4,4-dimethylpentanoate 41 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.0981 1.1643 -1.2566 C.3 1 UNL11111111 -0.4661 2 C -4.0581 0.2805 -0.0009 C.3 1 UNL11111111 0.1327 3 C -4.0980 1.1617 1.2566 C.3 1 UNL11111111 -0.4662 4 C -5.2902 -0.6446 -0.0017 C.3 1 UNL11111111 -0.4692 5 C -2.7994 -0.6145 -0.0003 C.3 1 UNL11111111 -0.2827 6 C -1.4875 0.1718 0.0059 C.3 1 UNL11111111 -0.3465 7 C -0.3289 -0.7789 0.0010 C.2 1 UNL11111111 0.6040 8 O -0.3475 -1.9826 -0.0016 O.2 1 UNL11111111 -0.5145 9 O 0.8280 -0.0704 0.0006 O.3 1 UNL11111111 -0.4352 10 C 2.0380 -0.8373 -0.0036 C.3 1 UNL11111111 -0.0463 11 C 3.1763 0.2092 -0.0009 C.3 1 UNL11111111 0.0863 12 C 3.0530 1.0790 -1.2569 C.3 1 UNL11111111 -0.4559 13 C 3.0499 1.0775 1.2557 C.3 1 UNL11111111 -0.4558 14 C 4.5042 -0.5837 0.0021 C.3 1 UNL11111111 -0.2786 15 C 5.7445 0.3088 0.0004 C.3 1 UNL11111111 -0.4299 16 H -3.2927 1.9050 -1.2597 H 1 UNL11111111 0.1426 17 H -4.0049 0.5656 -2.1688 H 1 UNL11111111 0.1465 18 H -5.0423 1.7155 -1.3211 H 1 UNL11111111 0.1437 19 H -5.0447 1.7079 1.3259 H 1 UNL11111111 0.1437 20 H -3.9980 0.5618 2.1673 H 1 UNL11111111 0.1465 21 H -3.2959 1.9060 1.2575 H 1 UNL11111111 0.1427 22 H -5.3025 -1.2933 -0.8837 H 1 UNL11111111 0.1463 23 H -5.3089 -1.2878 0.8841 H 1 UNL11111111 0.1463 24 H -6.2204 -0.0680 -0.0067 H 1 UNL11111111 0.1433 25 H -2.8287 -1.2929 0.8767 H 1 UNL11111111 0.1542 26 H -2.8237 -1.2879 -0.8813 H 1 UNL11111111 0.1542 27 H -1.4233 0.8486 -0.8724 H 1 UNL11111111 0.1773 28 H -1.4242 0.8362 0.8941 H 1 UNL11111111 0.1773 29 H 2.0495 -1.4778 0.8941 H 1 UNL11111111 0.1353 30 H 2.0476 -1.4696 -0.9070 H 1 UNL11111111 0.1352 31 H 2.0611 1.5458 -1.3134 H 1 UNL11111111 0.1561 32 H 3.7930 1.8857 -1.2613 H 1 UNL11111111 0.1443 33 H 3.1936 0.4926 -2.1704 H 1 UNL11111111 0.1432 34 H 3.1858 0.4892 2.1686 H 1 UNL11111111 0.1432 35 H 3.7917 1.8824 1.2642 H 1 UNL11111111 0.1442 36 H 2.0590 1.5466 1.3093 H 1 UNL11111111 0.1561 37 H 4.5335 -1.2473 0.8886 H 1 UNL11111111 0.1377 38 H 4.5349 -1.2528 -0.8799 H 1 UNL11111111 0.1376 39 H 5.7817 0.9474 -0.8893 H 1 UNL11111111 0.1436 40 H 5.7731 0.9632 0.8785 H 1 UNL11111111 0.1436 41 H 6.6604 -0.2930 0.0106 H 1 UNL11111111 0.1391 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 10 29 1 29 10 30 1 30 12 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1 36 14 37 1 37 14 38 1 38 15 39 1 39 15 40 1 40 15 41 1