@MOLECULE 1,1-dimethylbutyl 2,2-dimethylpropanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5490 0.2286 -0.3162 C.3 1 UNL11111111 -0.4512 2 C 2.1400 0.7014 0.0498 C.3 1 UNL11111111 0.0512 3 C 2.0817 1.1439 1.5150 C.3 1 UNL11111111 -0.4533 4 C 1.6965 1.8359 -0.8780 C.3 1 UNL11111111 -0.4526 5 C 1.1842 -0.4769 -0.1282 C.2 1 UNL11111111 0.6010 6 O 1.4766 -1.5932 -0.4716 O.2 1 UNL11111111 -0.5322 7 O -0.0709 -0.0855 0.1673 O.3 1 UNL11111111 -0.4733 8 C -1.1733 -1.0099 0.1132 C.3 1 UNL11111111 0.3436 9 C -1.3100 -1.5788 -1.2942 C.3 1 UNL11111111 -0.5049 10 C -0.9533 -2.1073 1.1541 C.3 1 UNL11111111 -0.5110 11 C -2.3570 -0.1060 0.5193 C.3 1 UNL11111111 -0.3132 12 C -2.5868 1.0440 -0.4678 C.3 1 UNL11111111 -0.2396 13 C -3.6591 2.0002 0.0553 C.3 1 UNL11111111 -0.4408 14 H 3.8582 -0.6254 0.3009 H 1 UNL11111111 0.1595 15 H 3.6008 -0.1069 -1.3602 H 1 UNL11111111 0.1583 16 H 4.2862 1.0263 -0.1812 H 1 UNL11111111 0.1484 17 H 2.7653 1.9797 1.7022 H 1 UNL11111111 0.1528 18 H 1.0714 1.4737 1.7925 H 1 UNL11111111 0.1607 19 H 2.3595 0.3303 2.1951 H 1 UNL11111111 0.1510 20 H 1.6865 1.5199 -1.9275 H 1 UNL11111111 0.1510 21 H 0.6848 2.1836 -0.6292 H 1 UNL11111111 0.1591 22 H 2.3706 2.6966 -0.7980 H 1 UNL11111111 0.1532 23 H -0.5265 -2.3228 -1.5034 H 1 UNL11111111 0.1792 24 H -2.2789 -2.0682 -1.4340 H 1 UNL11111111 0.1548 25 H -1.2123 -0.7956 -2.0545 H 1 UNL11111111 0.1578 26 H -0.7474 -1.6849 2.1434 H 1 UNL11111111 0.1554 27 H -1.8272 -2.7605 1.2367 H 1 UNL11111111 0.1553 28 H -0.0937 -2.7404 0.8871 H 1 UNL11111111 0.1795 29 H -3.2699 -0.7219 0.6095 H 1 UNL11111111 0.1461 30 H -2.1604 0.3091 1.5278 H 1 UNL11111111 0.1518 31 H -1.6375 1.5916 -0.6320 H 1 UNL11111111 0.1455 32 H -2.8845 0.6476 -1.4566 H 1 UNL11111111 0.1343 33 H -3.8366 2.8196 -0.6498 H 1 UNL11111111 0.1399 34 H -4.6139 1.4864 0.2108 H 1 UNL11111111 0.1405 35 H -3.3646 2.4477 1.0111 H 1 UNL11111111 0.1424 @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 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1