@MOLECULE 1-[(R)-isopentylsulfinyl]-1-methyl-cyclobutane 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2453 0.1447 -0.5662 C.3 1 UNL11111111 -0.0564 2 C -4.3889 -0.8767 -0.6211 C.3 1 UNL11111111 -0.4595 3 C -3.7517 1.4587 0.0403 C.3 1 UNL11111111 -0.4566 4 C -2.0774 -0.4406 0.2553 C.3 1 UNL11111111 -0.2699 5 C -0.8361 0.4407 0.1685 C.3 1 UNL11111111 -0.4842 6 S 0.6018 -0.4008 0.9624 S.O 1 UNL11111111 1.0152 7 O 0.6067 -1.7922 0.4407 O.2 1 UNL11111111 -0.7888 8 C 1.9659 0.4895 0.0855 C.3 1 UNL11111111 -0.1488 9 C 2.0009 1.9344 0.5291 C.3 1 UNL11111111 -0.4561 10 C 3.3279 -0.2505 0.2241 C.3 1 UNL11111111 -0.2776 11 C 3.4051 -0.4070 -1.3167 C.3 1 UNL11111111 -0.2669 12 C 2.0263 0.2902 -1.4549 C.3 1 UNL11111111 -0.2879 13 H -2.8905 0.3410 -1.6065 H 1 UNL11111111 0.1295 14 H -5.2303 -0.5003 -1.2122 H 1 UNL11111111 0.1431 15 H -4.0620 -1.8180 -1.0777 H 1 UNL11111111 0.1484 16 H -4.7674 -1.1094 0.3798 H 1 UNL11111111 0.1443 17 H -2.9778 2.2322 0.0288 H 1 UNL11111111 0.1381 18 H -4.6101 1.8469 -0.5185 H 1 UNL11111111 0.1408 19 H -4.0718 1.3232 1.0785 H 1 UNL11111111 0.1428 20 H -2.3959 -0.5790 1.3059 H 1 UNL11111111 0.1414 21 H -1.8503 -1.4633 -0.1232 H 1 UNL11111111 0.1670 22 H -0.6196 0.6860 -0.8845 H 1 UNL11111111 0.1581 23 H -0.9965 1.3981 0.6903 H 1 UNL11111111 0.1558 24 H 2.1143 2.0407 1.6162 H 1 UNL11111111 0.1519 25 H 2.8590 2.4582 0.0800 H 1 UNL11111111 0.1569 26 H 1.1090 2.4955 0.2239 H 1 UNL11111111 0.1461 27 H 4.1263 0.3510 0.6641 H 1 UNL11111111 0.1374 28 H 3.2965 -1.2067 0.7599 H 1 UNL11111111 0.1578 29 H 4.2336 0.1233 -1.7886 H 1 UNL11111111 0.1344 30 H 3.4184 -1.4456 -1.6614 H 1 UNL11111111 0.1495 31 H 1.2523 -0.3607 -1.8781 H 1 UNL11111111 0.1557 32 H 2.0406 1.2169 -2.0325 H 1 UNL11111111 0.1381 @BOND 1 32 12 1 2 31 12 1 3 29 11 1 4 30 11 1 5 13 1 1 6 12 11 1 7 12 8 1 8 11 10 1 9 14 2 1 10 15 2 1 11 22 5 1 12 2 1 1 13 2 16 1 14 1 3 1 15 1 4 1 16 18 3 1 17 21 4 1 18 17 3 1 19 3 19 1 20 25 9 1 21 8 10 1 22 8 9 1 23 8 6 1 24 5 4 1 25 5 23 1 26 5 6 1 27 26 9 1 28 10 27 1 29 10 28 1 30 4 20 1 31 7 6 2 32 9 24 1