@MOLECULE isopropyl 2,2-dimethylbutanoate 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7922 0.1399 0.0289 C.3 1 UNL111111111 -0.4307 2 C 2.4017 0.6648 0.3760 C.3 1 UNL111111111 -0.2638 3 C 1.2591 -0.2492 -0.1135 C.3 1 UNL111111111 0.0336 4 C 1.2516 -0.3729 -1.6401 C.3 1 UNL111111111 -0.4530 5 C 1.3188 -1.6308 0.5421 C.3 1 UNL111111111 -0.4516 6 C -0.0524 0.4180 0.2922 C.2 1 UNL111111111 0.5847 7 O -0.1898 1.5055 0.7925 O.2 1 UNL111111111 -0.5305 8 O -1.0985 -0.3894 0.0101 O.3 1 UNL111111111 -0.4530 9 C -2.4229 0.1103 0.2770 C.3 1 UNL111111111 0.1837 10 C -2.8372 0.9973 -0.8912 C.3 1 UNL111111111 -0.4931 11 C -3.2608 -1.1607 0.3828 C.3 1 UNL111111111 -0.4767 12 H 4.5675 0.8214 0.3999 H 1 UNL111111111 0.1422 13 H 3.9799 -0.8421 0.4765 H 1 UNL111111111 0.1423 14 H 3.9338 0.0457 -1.0532 H 1 UNL111111111 0.1424 15 H 2.3152 0.8035 1.4731 H 1 UNL111111111 0.1502 16 H 2.2662 1.6800 -0.0518 H 1 UNL111111111 0.1534 17 H 2.1521 -0.8857 -1.9980 H 1 UNL111111111 0.1558 18 H 0.3856 -0.9506 -1.9893 H 1 UNL111111111 0.1589 19 H 1.2153 0.6089 -2.1260 H 1 UNL111111111 0.1518 20 H 1.3238 -1.5612 1.6357 H 1 UNL111111111 0.1510 21 H 0.4565 -2.2476 0.2547 H 1 UNL111111111 0.1610 22 H 2.2222 -2.1731 0.2407 H 1 UNL111111111 0.1541 23 H -2.4036 0.6756 1.2362 H 1 UNL111111111 0.1387 24 H -2.2026 1.8934 -0.9437 H 1 UNL111111111 0.1667 25 H -2.7414 0.4711 -1.8481 H 1 UNL111111111 0.1567 26 H -3.8750 1.3314 -0.7914 H 1 UNL111111111 0.1543 27 H -2.8990 -1.8053 1.1936 H 1 UNL111111111 0.1572 28 H -4.3120 -0.9244 0.5780 H 1 UNL111111111 0.1543 29 H -3.2123 -1.7500 -0.5411 H 1 UNL111111111 0.1594 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 4 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 5 22 1 22 9 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