@MOLECULE S-[(1S)-1-methylbutyl] 2,2-dimethylbutanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7563 -0.1721 0.3693 C.3 1 UNL11111111 -0.4332 2 C 3.3602 0.4002 0.5992 C.3 1 UNL11111111 -0.2628 3 C 2.2306 -0.3797 -0.1182 C.3 1 UNL11111111 0.0206 4 C 2.4375 -0.3484 -1.6328 C.3 1 UNL11111111 -0.4548 5 C 2.1508 -1.8212 0.3949 C.3 1 UNL11111111 -0.4538 6 C 0.9230 0.3136 0.2602 C.2 1 UNL11111111 0.4184 7 O 0.8380 1.1245 1.1391 O.2 1 UNL11111111 -0.4496 8 S -0.5677 -0.1572 -0.6678 S.3 1 UNL11111111 -0.1772 9 C -1.8677 0.9056 0.1363 C.3 1 UNL11111111 -0.0808 10 H -1.6950 0.8629 1.2396 H 1 UNL11111111 0.1646 11 C -1.7304 2.3428 -0.3444 C.3 1 UNL11111111 -0.4586 12 C -3.2423 0.3335 -0.2105 C.3 1 UNL11111111 -0.2893 13 C -3.5661 -0.9447 0.5753 C.3 1 UNL11111111 -0.2502 14 C -4.9909 -1.4124 0.2753 C.3 1 UNL11111111 -0.4405 15 H 5.5068 0.4032 0.9256 H 1 UNL11111111 0.1431 16 H 4.8317 -1.2119 0.7055 H 1 UNL11111111 0.1426 17 H 5.0429 -0.1409 -0.6876 H 1 UNL11111111 0.1419 18 H 3.1473 0.4278 1.6883 H 1 UNL11111111 0.1543 19 H 3.3335 1.4590 0.2719 H 1 UNL11111111 0.1467 20 H 3.4280 -0.7395 -1.8994 H 1 UNL11111111 0.1556 21 H 1.7097 -0.9658 -2.1734 H 1 UNL11111111 0.1600 22 H 2.3746 0.6706 -2.0326 H 1 UNL11111111 0.1531 23 H 1.9821 -1.8576 1.4779 H 1 UNL11111111 0.1540 24 H 1.3494 -2.3936 -0.0877 H 1 UNL11111111 0.1590 25 H 3.0857 -2.3587 0.1927 H 1 UNL11111111 0.1559 26 H -2.4857 2.9871 0.1265 H 1 UNL11111111 0.1513 27 H -0.7522 2.7725 -0.0804 H 1 UNL11111111 0.1655 28 H -1.8538 2.4413 -1.4298 H 1 UNL11111111 0.1543 29 H -4.0142 1.1005 0.0150 H 1 UNL11111111 0.1492 30 H -3.3441 0.1481 -1.2977 H 1 UNL11111111 0.1507 31 H -2.8503 -1.7509 0.3241 H 1 UNL11111111 0.1464 32 H -3.4479 -0.7648 1.6608 H 1 UNL11111111 0.1363 33 H -5.7303 -0.6451 0.5297 H 1 UNL11111111 0.1422 34 H -5.1170 -1.6556 -0.7856 H 1 UNL11111111 0.1429 35 H -5.2411 -2.3116 0.8492 H 1 UNL11111111 0.1421 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 14 35 1