@MOLECULE S-[(1S,2S)-2-methylcyclobutyl] 4,4-dimethylpentanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2158 -1.4613 -0.3942 C.3 1 UNL11111111 -0.4672 2 C -4.0044 0.0091 -0.0034 C.3 1 UNL11111111 0.1300 3 C -4.2524 0.9074 -1.2246 C.3 1 UNL11111111 -0.4671 4 C -5.0096 0.3814 1.1032 C.3 1 UNL11111111 -0.4702 5 C -2.5826 0.2326 0.5591 C.3 1 UNL11111111 -0.2810 6 C -1.4667 -0.1300 -0.4282 C.3 1 UNL11111111 -0.3617 7 C -0.1347 0.2107 0.1626 C.2 1 UNL11111111 0.4460 8 O 0.0521 1.0107 1.0336 O.2 1 UNL11111111 -0.4352 9 S 1.2539 -0.7042 -0.5809 S.3 1 UNL11111111 -0.1527 10 C 2.7002 -0.0704 0.3243 C.3 1 UNL11111111 -0.1688 11 H 2.3852 0.7187 1.0336 H 1 UNL11111111 0.1802 12 C 3.8916 0.3573 -0.5875 C.3 1 UNL11111111 -0.0834 13 H 3.7445 0.1339 -1.6594 H 1 UNL11111111 0.1461 14 C 4.3232 1.7977 -0.4038 C.3 1 UNL11111111 -0.4540 15 C 4.7924 -0.6996 0.1210 C.3 1 UNL11111111 -0.2942 16 C 3.5850 -1.1619 0.9763 C.3 1 UNL11111111 -0.2772 17 H -3.5927 -1.7503 -1.2462 H 1 UNL11111111 0.1436 18 H -3.9787 -2.1341 0.4365 H 1 UNL11111111 0.1463 19 H -5.2570 -1.6471 -0.6796 H 1 UNL11111111 0.1442 20 H -5.2905 0.8325 -1.5656 H 1 UNL11111111 0.1447 21 H -4.0591 1.9600 -0.9920 H 1 UNL11111111 0.1474 22 H -3.6151 0.6301 -2.0696 H 1 UNL11111111 0.1423 23 H -4.8816 -0.2486 1.9893 H 1 UNL11111111 0.1459 24 H -4.8915 1.4238 1.4171 H 1 UNL11111111 0.1471 25 H -6.0420 0.2581 0.7607 H 1 UNL11111111 0.1450 26 H -2.4728 1.2928 0.8684 H 1 UNL11111111 0.1582 27 H -2.4583 -0.3564 1.4891 H 1 UNL11111111 0.1478 28 H -1.5407 -1.2030 -0.7048 H 1 UNL11111111 0.1780 29 H -1.5997 0.4314 -1.3808 H 1 UNL11111111 0.1809 30 H 4.4994 2.0446 0.6506 H 1 UNL11111111 0.1513 31 H 5.2528 2.0059 -0.9480 H 1 UNL11111111 0.1496 32 H 3.5592 2.4921 -0.7778 H 1 UNL11111111 0.1528 33 H 5.1988 -1.4632 -0.5447 H 1 UNL11111111 0.1411 34 H 5.6196 -0.2776 0.6957 H 1 UNL11111111 0.1452 35 H 3.7171 -1.0382 2.0559 H 1 UNL11111111 0.1466 36 H 3.2787 -2.1975 0.8019 H 1 UNL11111111 0.1523 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 10 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 6 28 1 29 6 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1