@MOLECULE isopropyl 2-[(methylsulfonyl)oxy]propanoate 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.3459 -0.2950 0.2045 S.O2 1 UNL111111111 2.3957 2 O 2.1385 0.4231 0.1715 O.3 1 UNL111111111 -0.4600 3 O -1.3260 0.9163 -0.3620 O.3 1 UNL111111111 -0.7264 4 O 0.7218 -0.6824 -1.1785 O.2 1 UNL111111111 -0.5369 5 O -3.6429 0.3028 0.3536 O.2 1 UNL111111111 -0.8727 6 O -1.6560 -0.8620 1.3377 O.2 1 UNL111111111 -0.9241 7 C -0.0858 1.1613 0.2385 C.3 1 UNL111111111 0.1700 8 C 3.2272 -0.4518 -0.1917 C.3 1 UNL111111111 0.1897 9 C 0.9261 0.1792 -0.3623 C.2 1 UNL111111111 0.5731 10 C 0.2814 2.5886 -0.1503 C.3 1 UNL111111111 -0.4611 11 C 4.4591 0.3466 0.2200 C.3 1 UNL111111111 -0.4777 12 C 3.0740 -1.7513 0.5861 C.3 1 UNL111111111 -0.4982 13 C -2.3349 -1.3925 -1.1630 C.3 1 UNL111111111 -0.7560 14 H -0.1350 1.0249 1.3492 H 1 UNL111111111 0.1689 15 H 3.1852 -0.6193 -1.2913 H 1 UNL111111111 0.1340 16 H -0.4334 3.3039 0.2805 H 1 UNL111111111 0.1701 17 H 1.2880 2.8514 0.1977 H 1 UNL111111111 0.1627 18 H 0.2459 2.7284 -1.2398 H 1 UNL111111111 0.1669 19 H 5.3776 -0.2159 0.0205 H 1 UNL111111111 0.1571 20 H 4.5172 1.2976 -0.3239 H 1 UNL111111111 0.1576 21 H 4.4373 0.5899 1.2906 H 1 UNL111111111 0.1639 22 H 3.9318 -2.4146 0.4347 H 1 UNL111111111 0.1562 23 H 2.1716 -2.2953 0.2706 H 1 UNL111111111 0.1698 24 H 2.9750 -1.5661 1.6632 H 1 UNL111111111 0.1640 25 H -3.1684 -1.2135 -1.8565 H 1 UNL111111111 0.1947 26 H -1.4037 -1.2982 -1.7581 H 1 UNL111111111 0.2237 27 H -2.3843 -2.4463 -0.8531 H 1 UNL111111111 0.1950 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 13 1 5 2 8 1 6 2 9 1 7 3 7 1 8 4 9 2 9 7 9 1 10 7 10 1 11 7 14 1 12 8 11 1 13 8 12 1 14 8 15 1 15 10 16 1 16 10 17 1 17 10 18 1 18 11 19 1 19 11 20 1 20 11 21 1 21 12 22 1 22 12 23 1 23 12 24 1 24 13 25 1 25 13 26 1 26 13 27 1