@MOLECULE (2S)-1,1-dimethyl-2-[(R)-pentylsulfinyl]cyclobutane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.1255 0.5681 0.2321 C.3 1 UNL11 -0.4410 2 C 4.9013 -0.2693 -0.1370 C.3 1 UNL11 -0.2544 3 C 3.6030 0.4877 0.1731 C.3 1 UNL11 -0.2726 4 C 2.3795 -0.3529 -0.2262 C.3 1 UNL11 -0.2502 5 C 1.0918 0.3739 0.1485 C.3 1 UNL11 -0.4921 6 S -0.3729 -0.6064 -0.4040 S.O 1 UNL11 1.0567 7 O -0.3402 -1.8695 0.3778 O.2 1 UNL11 -0.7966 8 C -1.6500 0.4340 0.3999 C.3 1 UNL11 -0.3819 9 H -1.4627 0.4627 1.4859 H 1 UNL11 0.1619 10 C -3.1502 0.0876 0.0945 C.3 1 UNL11 0.1332 11 C -3.4167 -1.0093 -0.9203 C.3 1 UNL11 -0.4722 12 C -3.9503 -0.1641 1.3654 C.3 1 UNL11 -0.4701 13 C -3.3372 1.5286 -0.4876 C.3 1 UNL11 -0.3107 14 C -1.8416 1.8349 -0.2243 C.3 1 UNL11 -0.2718 15 H 6.1266 0.8265 1.2972 H 1 UNL11 0.1444 16 H 7.0544 0.0250 0.0246 H 1 UNL11 0.1425 17 H 6.1580 1.5048 -0.3346 H 1 UNL11 0.1399 18 H 4.9374 -0.5393 -1.2089 H 1 UNL11 0.1322 19 H 4.9200 -1.2280 0.4167 H 1 UNL11 0.1395 20 H 3.5604 0.7346 1.2503 H 1 UNL11 0.1383 21 H 3.5920 1.4550 -0.3608 H 1 UNL11 0.1320 22 H 2.4210 -0.5694 -1.3112 H 1 UNL11 0.1377 23 H 2.4258 -1.3411 0.2808 H 1 UNL11 0.1592 24 H 1.0596 0.5422 1.2383 H 1 UNL11 0.1606 25 H 1.0455 1.3664 -0.3264 H 1 UNL11 0.1539 26 H -3.0703 -1.9879 -0.5535 H 1 UNL11 0.1710 27 H -4.4908 -1.1048 -1.1214 H 1 UNL11 0.1465 28 H -2.9293 -0.8241 -1.8838 H 1 UNL11 0.1492 29 H -3.8189 0.6358 2.1023 H 1 UNL11 0.1460 30 H -5.0227 -0.2399 1.1533 H 1 UNL11 0.1478 31 H -3.6414 -1.1048 1.8422 H 1 UNL11 0.1618 32 H -3.6319 1.5578 -1.5376 H 1 UNL11 0.1405 33 H -4.0344 2.1536 0.0730 H 1 UNL11 0.1406 34 H -1.6684 2.6606 0.4731 H 1 UNL11 0.1400 35 H -1.2679 2.0451 -1.1313 H 1 UNL11 0.1385 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 11 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1