@MOLECULE 2,2-dimethylpropyl pivalate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5646 -0.4470 0.0015 C.3 1 UNL111111111 -0.9643 2 C 2.2390 0.3178 0.0006 C.3 1 UNL111111111 0.7584 3 C 2.1102 1.1768 1.2624 C.3 1 UNL111111111 -0.9981 4 C 2.1156 1.1809 -1.2588 C.3 1 UNL111111111 -1.0031 5 C 1.1042 -0.6983 -0.0021 C.2 1 UNL111111111 0.1214 6 O 1.1871 -1.8992 -0.0003 O.2 1 UNL111111111 -0.3246 7 O -0.0884 -0.0568 -0.0060 O.3 1 UNL111111111 -0.0844 8 C -1.2551 -0.8875 -0.0052 C.3 1 UNL111111111 -0.7348 9 C -2.4440 0.0956 0.0004 C.3 1 UNL111111111 0.8860 10 C -2.3888 0.9765 -1.2534 C.3 1 UNL111111111 -1.0019 11 C -3.7360 -0.7349 0.0028 C.3 1 UNL111111111 -1.0064 12 C -2.3807 0.9709 1.2578 C.3 1 UNL111111111 -0.9978 13 H 3.6528 -1.0969 0.8819 H 1 UNL111111111 0.2594 14 H 3.6527 -1.0996 -0.8772 H 1 UNL111111111 0.2606 15 H 4.4197 0.2363 0.0005 H 1 UNL111111111 0.2670 16 H 2.9053 1.9293 1.3101 H 1 UNL111111111 0.2717 17 H 1.1501 1.7092 1.2888 H 1 UNL111111111 0.2751 18 H 2.1746 0.5705 2.1736 H 1 UNL111111111 0.2751 19 H 2.1826 0.5775 -2.1718 H 1 UNL111111111 0.2764 20 H 1.1563 1.7144 -1.2870 H 1 UNL111111111 0.2763 21 H 2.9119 1.9328 -1.3013 H 1 UNL111111111 0.2730 22 H -1.2351 -1.5222 -0.9067 H 1 UNL111111111 0.2666 23 H -1.2312 -1.5273 0.8928 H 1 UNL111111111 0.2659 24 H -2.4350 0.3785 -2.1692 H 1 UNL111111111 0.2623 25 H -3.2197 1.6885 -1.2781 H 1 UNL111111111 0.2619 26 H -1.4562 1.5535 -1.2863 H 1 UNL111111111 0.2705 27 H -3.7985 -1.3828 0.8836 H 1 UNL111111111 0.2669 28 H -4.6188 -0.0859 0.0128 H 1 UNL111111111 0.2621 29 H -3.8098 -1.3702 -0.8863 H 1 UNL111111111 0.2668 30 H -1.4492 1.5500 1.2860 H 1 UNL111111111 0.2699 31 H -3.2129 1.6810 1.2922 H 1 UNL111111111 0.2603 32 H -2.4185 0.3687 2.1713 H 1 UNL111111111 0.2617 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 8 22 1 22 8 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1