@MOLECULE 1-[(R)-methylsulfinyl]pentane 22 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.1591 1.1299 0.2151 C.3 1 UNL1 -0.6780 2 S 2.0265 -0.1712 -0.3887 S.O 1 UNL1 1.1003 3 O 2.1892 -1.3225 0.5303 O.2 1 UNL1 -0.7963 4 C 0.4469 0.6530 0.0881 C.3 1 UNL1 -0.5028 5 C -0.7358 -0.2571 -0.2296 C.3 1 UNL1 -0.2539 6 C -2.0568 0.4359 0.1399 C.3 1 UNL1 -0.2722 7 C -3.2522 -0.4709 -0.1820 C.3 1 UNL1 -0.2532 8 C -4.5689 0.2184 0.1746 C.3 1 UNL1 -0.4411 9 H 4.1949 0.8133 0.0511 H 1 UNL1 0.1771 10 H 3.0024 2.0681 -0.3173 H 1 UNL1 0.1634 11 H 3.0562 1.3151 1.2877 H 1 UNL1 0.1731 12 H 0.4488 0.9038 1.1630 H 1 UNL1 0.1627 13 H 0.3656 1.6066 -0.4568 H 1 UNL1 0.1534 14 H -0.7530 -0.5349 -1.3015 H 1 UNL1 0.1377 15 H -0.6512 -1.2133 0.3311 H 1 UNL1 0.1587 16 H -2.0616 0.6959 1.2150 H 1 UNL1 0.1392 17 H -2.1515 1.3929 -0.4045 H 1 UNL1 0.1323 18 H -3.2458 -0.7423 -1.2542 H 1 UNL1 0.1318 19 H -3.1629 -1.4249 0.3728 H 1 UNL1 0.1396 20 H -5.4273 -0.4252 -0.0483 H 1 UNL1 0.1429 21 H -4.6138 0.4687 1.2408 H 1 UNL1 0.1450 22 H -4.7002 1.1489 -0.3881 H 1 UNL1 0.1402 @BOND 1 14 5 1 2 18 7 1 3 13 4 1 4 17 6 1 5 2 4 1 6 2 1 1 7 2 3 2 8 22 8 1 9 10 1 1 10 5 4 1 11 5 6 1 12 5 15 1 13 7 6 1 14 7 8 1 15 7 19 1 16 20 8 1 17 9 1 1 18 4 12 1 19 6 16 1 20 8 21 1 21 1 11 1