@MOLECULE 1-[(R)-2,2-dimethylpropylsulfinyl]-2,2-dimethyl-butane 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3545 -0.2050 -1.4603 C.3 1 UNL11111111 -0.4707 2 C -3.1299 -0.3033 0.0571 C.3 1 UNL11111111 0.1591 3 C -3.4683 1.0369 0.7211 C.3 1 UNL11111111 -0.4769 4 C -4.0797 -1.3831 0.6235 C.3 1 UNL11111111 -0.4728 5 C -1.6909 -0.7395 0.3911 C.3 1 UNL11111111 -0.5266 6 S -0.3868 0.3265 -0.3628 S.O 1 UNL11111111 1.0775 7 O -0.4473 1.6358 0.3370 O.2 1 UNL11111111 -0.8062 8 C 1.0407 -0.5937 0.3608 C.3 1 UNL11111111 -0.5317 9 C 2.4263 -0.0464 -0.0512 C.3 1 UNL11111111 0.1431 10 C 2.5506 0.0479 -1.5789 C.3 1 UNL11111111 -0.4691 11 C 2.6636 1.3297 0.5801 C.3 1 UNL11111111 -0.4762 12 C 3.4667 -1.0682 0.4953 C.3 1 UNL11111111 -0.2823 13 C 4.9225 -0.6520 0.2900 C.3 1 UNL11111111 -0.4356 14 H -2.8411 0.6590 -1.8975 H 1 UNL11111111 0.1550 15 H -3.0121 -1.1037 -1.9810 H 1 UNL11111111 0.1396 16 H -4.4189 -0.0797 -1.6892 H 1 UNL11111111 0.1438 17 H -4.4994 1.3366 0.5131 H 1 UNL11111111 0.1403 18 H -3.3459 0.9921 1.8085 H 1 UNL11111111 0.1479 19 H -2.8158 1.8515 0.3721 H 1 UNL11111111 0.1791 20 H -3.9122 -2.3552 0.1522 H 1 UNL11111111 0.1388 21 H -3.9473 -1.5048 1.7031 H 1 UNL11111111 0.1450 22 H -5.1268 -1.1116 0.4542 H 1 UNL11111111 0.1459 23 H -1.5709 -0.7550 1.4883 H 1 UNL11111111 0.1634 24 H -1.5259 -1.7701 0.0374 H 1 UNL11111111 0.1540 25 H 0.9668 -0.5767 1.4620 H 1 UNL11111111 0.1638 26 H 0.9493 -1.6459 0.0484 H 1 UNL11111111 0.1525 27 H 1.9265 0.8477 -1.9939 H 1 UNL11111111 0.1546 28 H 3.5798 0.2814 -1.8755 H 1 UNL11111111 0.1453 29 H 2.2753 -0.8900 -2.0693 H 1 UNL11111111 0.1391 30 H 2.6978 1.2721 1.6728 H 1 UNL11111111 0.1464 31 H 3.6033 1.7731 0.2383 H 1 UNL11111111 0.1422 32 H 1.8654 2.0458 0.3312 H 1 UNL11111111 0.1802 33 H 3.2867 -1.2222 1.5768 H 1 UNL11111111 0.1353 34 H 3.2974 -2.0496 0.0142 H 1 UNL11111111 0.1294 35 H 5.1611 -0.5104 -0.7692 H 1 UNL11111111 0.1404 36 H 5.1516 0.2858 0.8095 H 1 UNL11111111 0.1483 37 H 5.6054 -1.4157 0.6798 H 1 UNL11111111 0.1379 @BOND 1 29 10 1 2 27 10 1 3 15 1 1 4 14 1 1 5 28 10 1 6 16 1 1 7 10 9 1 8 1 2 1 9 35 13 1 10 6 7 2 11 6 8 1 12 6 5 1 13 9 8 1 14 9 12 1 15 9 11 1 16 34 12 1 17 24 5 1 18 26 8 1 19 2 5 1 20 2 4 1 21 2 3 1 22 20 4 1 23 31 11 1 24 13 12 1 25 13 37 1 26 13 36 1 27 32 11 1 28 8 25 1 29 19 3 1 30 5 23 1 31 22 4 1 32 12 33 1 33 17 3 1 34 11 30 1 35 4 21 1 36 3 18 1