@MOLECULE (2R)-2-[(S)-isopropylsulfinyl]butane 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7917 1.1134 -0.5752 C.3 1 UNL11111111 -0.4529 2 C 2.4550 -0.1709 0.1813 C.3 1 UNL11111111 -0.2422 3 C 1.0751 -0.7233 -0.1952 C.3 1 UNL11111111 -0.2944 4 H 0.9333 -0.6094 -1.2932 H 1 UNL11111111 0.1560 5 C 0.9655 -2.1930 0.1913 C.3 1 UNL11111111 -0.4493 6 S -0.2520 0.2398 0.6912 S.O 1 UNL11111111 0.9916 7 O -0.1337 1.6484 0.2262 O.2 1 UNL11111111 -0.7933 8 C -1.7608 -0.4396 -0.1704 C.3 1 UNL11111111 -0.2645 9 C -2.9869 0.1261 0.5369 C.3 1 UNL11111111 -0.4389 10 C -1.7805 -0.0787 -1.6480 C.3 1 UNL11111111 -0.4504 11 H 2.7883 0.9610 -1.6589 H 1 UNL11111111 0.1400 12 H 2.0643 1.9154 -0.3634 H 1 UNL11111111 0.1848 13 H 3.7785 1.4937 -0.2934 H 1 UNL11111111 0.1386 14 H 3.2278 -0.9345 -0.0472 H 1 UNL11111111 0.1337 15 H 2.5375 -0.0001 1.2724 H 1 UNL11111111 0.1390 16 H 1.0448 -2.3525 1.2743 H 1 UNL11111111 0.1507 17 H 0.0336 -2.6576 -0.1516 H 1 UNL11111111 0.1419 18 H 1.7789 -2.7742 -0.2682 H 1 UNL11111111 0.1533 19 H -1.7408 -1.5448 -0.0491 H 1 UNL11111111 0.1408 20 H -3.0331 -0.1525 1.5961 H 1 UNL11111111 0.1431 21 H -3.0229 1.2252 0.4815 H 1 UNL11111111 0.1651 22 H -3.9110 -0.2403 0.0708 H 1 UNL11111111 0.1453 23 H -1.0018 -0.5918 -2.2228 H 1 UNL11111111 0.1389 24 H -2.7411 -0.3428 -2.1092 H 1 UNL11111111 0.1487 25 H -1.6436 1.0048 -1.8040 H 1 UNL11111111 0.1746 @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 8 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 8 19 1 19 9 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 10 25 1