@MOLECULE 1,1-dimethylpropyl 3,3-dimethylpentanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.8693 0.7060 0.1803 C.3 1 UNL11111111 -0.4329 2 C 3.4143 1.1330 0.3697 C.3 1 UNL11111111 -0.2781 3 C 2.3850 0.0366 -0.0141 C.3 1 UNL11111111 0.1409 4 C 2.5422 -0.3539 -1.4875 C.3 1 UNL11111111 -0.4712 5 C 2.5578 -1.1943 0.8824 C.3 1 UNL11111111 -0.4723 6 C 0.9826 0.6586 0.2143 C.3 1 UNL11111111 -0.3903 7 C -0.1571 -0.2804 -0.0562 C.2 1 UNL11111111 0.6434 8 O -0.1336 -1.4040 -0.4875 O.2 1 UNL11111111 -0.5320 9 O -1.3010 0.3629 0.2748 O.3 1 UNL11111111 -0.4879 10 C -2.5816 -0.2795 0.1426 C.3 1 UNL11111111 0.3529 11 C -2.8037 -0.7138 -1.3015 C.3 1 UNL11111111 -0.5042 12 C -2.6408 -1.4593 1.1133 C.3 1 UNL11111111 -0.5129 13 C -3.5466 0.8406 0.5908 C.3 1 UNL11111111 -0.2924 14 C -3.5050 2.0575 -0.3295 C.3 1 UNL11111111 -0.4284 15 H 5.5545 1.5068 0.4803 H 1 UNL11111111 0.1361 16 H 5.1149 -0.1760 0.7820 H 1 UNL11111111 0.1442 17 H 5.0877 0.4645 -0.8658 H 1 UNL11111111 0.1441 18 H 3.2567 1.4266 1.4254 H 1 UNL11111111 0.1340 19 H 3.2218 2.0412 -0.2327 H 1 UNL11111111 0.1337 20 H 3.5127 -0.8255 -1.6738 H 1 UNL11111111 0.1474 21 H 1.7758 -1.0821 -1.7897 H 1 UNL11111111 0.1697 22 H 2.4600 0.5124 -2.1496 H 1 UNL11111111 0.1405 23 H 2.4393 -0.9476 1.9409 H 1 UNL11111111 0.1408 24 H 1.8219 -1.9726 0.6348 H 1 UNL11111111 0.1693 25 H 3.5466 -1.6467 0.7536 H 1 UNL11111111 0.1477 26 H 0.9003 1.0300 1.2587 H 1 UNL11111111 0.1771 27 H 0.8609 1.5585 -0.4262 H 1 UNL11111111 0.1761 28 H -2.2217 -1.6155 -1.5443 H 1 UNL11111111 0.1777 29 H -3.8580 -0.9352 -1.4935 H 1 UNL11111111 0.1530 30 H -2.4880 0.0653 -2.0051 H 1 UNL11111111 0.1592 31 H -2.3698 -1.1539 2.1298 H 1 UNL11111111 0.1559 32 H -3.6411 -1.9013 1.1444 H 1 UNL11111111 0.1542 33 H -1.9401 -2.2536 0.8159 H 1 UNL11111111 0.1784 34 H -4.5728 0.4330 0.6417 H 1 UNL11111111 0.1424 35 H -3.2834 1.1486 1.6226 H 1 UNL11111111 0.1494 36 H -4.1079 2.8790 0.0727 H 1 UNL11111111 0.1379 37 H -2.4783 2.4279 -0.4464 H 1 UNL11111111 0.1550 38 H -3.8883 1.8256 -1.3289 H 1 UNL11111111 0.1417 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 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 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 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