@MOLECULE (2R)-2-[(R)-2,2-dimethylpropylsulfinyl]pentane 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5174 1.8226 -0.5073 C.3 1 UNL11111111 -0.4695 2 C -2.6773 0.3237 -0.2066 C.3 1 UNL11111111 0.1568 3 C -3.0779 0.1235 1.2605 C.3 1 UNL11111111 -0.4727 4 C -3.8043 -0.2378 -1.1023 C.3 1 UNL11111111 -0.4714 5 C -1.3943 -0.4577 -0.5436 C.3 1 UNL11111111 -0.5209 6 S 0.0876 0.1236 0.3831 S.O 1 UNL11111111 1.0290 7 O 0.0453 -0.5442 1.7108 O.2 1 UNL11111111 -0.7957 8 C 1.3867 -0.7840 -0.6008 C.3 1 UNL11111111 -0.2928 9 H 1.2973 -0.4407 -1.6538 H 1 UNL11111111 0.1431 10 C 1.1900 -2.2919 -0.5276 C.3 1 UNL11111111 -0.4513 11 C 2.7676 -0.4099 -0.0535 C.3 1 UNL11111111 -0.2719 12 C 3.1994 1.0123 -0.4388 C.3 1 UNL11111111 -0.2501 13 C 4.6542 1.2543 -0.0323 C.3 1 UNL11111111 -0.4417 14 H -1.8439 2.3167 0.2013 H 1 UNL11111111 0.1533 15 H -2.1320 1.9946 -1.5164 H 1 UNL11111111 0.1399 16 H -3.4810 2.3391 -0.4328 H 1 UNL11111111 0.1434 17 H -4.0279 0.6171 1.4859 H 1 UNL11111111 0.1410 18 H -3.1876 -0.9389 1.5070 H 1 UNL11111111 0.1521 19 H -2.3299 0.5234 1.9581 H 1 UNL11111111 0.1682 20 H -3.5814 -0.0989 -2.1636 H 1 UNL11111111 0.1395 21 H -3.9576 -1.3076 -0.9273 H 1 UNL11111111 0.1460 22 H -4.7561 0.2629 -0.8979 H 1 UNL11111111 0.1451 23 H -1.5607 -1.5283 -0.3244 H 1 UNL11111111 0.1691 24 H -1.1851 -0.3844 -1.6220 H 1 UNL11111111 0.1539 25 H 0.2735 -2.6277 -1.0249 H 1 UNL11111111 0.1405 26 H 2.0203 -2.8278 -1.0066 H 1 UNL11111111 0.1479 27 H 1.1464 -2.6453 0.5165 H 1 UNL11111111 0.1732 28 H 2.8028 -0.5352 1.0494 H 1 UNL11111111 0.1600 29 H 3.5189 -1.1300 -0.4395 H 1 UNL11111111 0.1413 30 H 3.0833 1.1667 -1.5274 H 1 UNL11111111 0.1286 31 H 2.5516 1.7653 0.0490 H 1 UNL11111111 0.1414 32 H 4.9727 2.2721 -0.2808 H 1 UNL11111111 0.1371 33 H 4.7940 1.1208 1.0471 H 1 UNL11111111 0.1475 34 H 5.3357 0.5636 -0.5406 H 1 UNL11111111 0.1399 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1