@MOLECULE 2-(isopropylsulfinyl)-2-methylbutane 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5481 -0.5457 0.4303 C.3 1 UNL11111111 -0.2658 2 C -2.5495 0.4951 0.9064 C.3 1 UNL11111111 -0.4372 3 C -2.2505 -1.6964 -0.2810 C.3 1 UNL11111111 -0.4381 4 S -0.3376 0.2151 -0.7724 S.O 1 UNL11111111 0.9641 5 O -0.7731 1.6276 -0.9615 O.2 1 UNL11111111 -0.7898 6 C 1.2076 0.3475 0.2935 C.3 1 UNL11111111 -0.0902 7 C 2.2714 0.9893 -0.5958 C.3 1 UNL11111111 -0.4505 8 C 0.9352 1.2582 1.4897 C.3 1 UNL11111111 -0.4707 9 C 1.6591 -1.0311 0.7966 C.3 1 UNL11111111 -0.2734 10 C 1.9467 -2.0607 -0.2958 C.3 1 UNL11111111 -0.4376 11 H -0.9869 -0.9434 1.3047 H 1 UNL11111111 0.1417 12 H -3.2658 0.0650 1.6159 H 1 UNL11111111 0.1409 13 H -2.0643 1.3474 1.4025 H 1 UNL11111111 0.1559 14 H -3.1277 0.9244 0.0739 H 1 UNL11111111 0.1659 15 H -2.9517 -2.2002 0.3988 H 1 UNL11111111 0.1472 16 H -2.8428 -1.3548 -1.1411 H 1 UNL11111111 0.1551 17 H -1.5525 -2.4615 -0.6400 H 1 UNL11111111 0.1405 18 H 1.9712 1.9963 -0.9277 H 1 UNL11111111 0.1674 19 H 3.2187 1.1044 -0.0542 H 1 UNL11111111 0.1460 20 H 2.4884 0.4029 -1.4964 H 1 UNL11111111 0.1472 21 H 0.2373 0.8225 2.2120 H 1 UNL11111111 0.1421 22 H 1.8598 1.4855 2.0348 H 1 UNL11111111 0.1496 23 H 0.5131 2.2269 1.1723 H 1 UNL11111111 0.1767 24 H 2.5800 -0.8895 1.4038 H 1 UNL11111111 0.1461 25 H 0.9205 -1.4487 1.5100 H 1 UNL11111111 0.1336 26 H 2.3370 -2.9883 0.1401 H 1 UNL11111111 0.1394 27 H 1.0541 -2.3303 -0.8696 H 1 UNL11111111 0.1452 28 H 2.6994 -1.6981 -1.0057 H 1 UNL11111111 0.1485 @BOND 1 20 7 1 2 18 7 1 3 5 4 2 4 16 3 1 5 28 10 1 6 4 6 1 7 4 1 1 8 7 19 1 9 7 6 1 10 27 10 1 11 17 3 1 12 3 1 1 13 3 15 1 14 10 26 1 15 10 9 1 16 14 2 1 17 6 9 1 18 6 8 1 19 1 2 1 20 1 11 1 21 2 13 1 22 2 12 1 23 9 24 1 24 9 25 1 25 23 8 1 26 8 22 1 27 8 21 1