@MOLECULE S-(3,3-dimethylbutyl) (1R,2S)-2-methylcyclobutanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6071 -0.9213 -0.2524 C.3 1 UNL1111111 -0.0542 2 H -3.9612 -1.4476 -1.1566 H 1 UNL1111111 0.1381 3 C -2.8757 -1.8751 0.6672 C.3 1 UNL1111111 -0.4662 4 C -4.7241 -0.0875 0.4427 C.3 1 UNL1111111 -0.2947 5 C -3.9684 1.2208 0.1077 C.3 1 UNL1111111 -0.2575 6 C -2.8601 0.4115 -0.6249 C.3 1 UNL1111111 -0.2496 7 H -2.8561 0.5963 -1.7156 H 1 UNL1111111 0.1696 8 C -1.5066 0.5514 -0.0221 C.2 1 UNL1111111 0.4438 9 O -1.2668 1.0146 1.0570 O.2 1 UNL1111111 -0.4374 10 S -0.1578 -0.0543 -1.0804 S.3 1 UNL1111111 -0.1476 11 C 1.2985 0.2202 0.0117 C.3 1 UNL1111111 -0.2820 12 C 2.5586 -0.2315 -0.7120 C.3 1 UNL1111111 -0.2983 13 C 3.8329 -0.0704 0.1578 C.3 1 UNL1111111 0.1311 14 C 3.7448 -0.9463 1.4159 C.3 1 UNL1111111 -0.4672 15 C 5.0352 -0.5277 -0.6892 C.3 1 UNL1111111 -0.4702 16 C 4.0366 1.3967 0.5614 C.3 1 UNL1111111 -0.4672 17 H -3.5477 -2.6636 1.0295 H 1 UNL1111111 0.1516 18 H -2.0389 -2.3715 0.1594 H 1 UNL1111111 0.1575 19 H -2.4701 -1.3674 1.5534 H 1 UNL1111111 0.1612 20 H -5.7085 -0.1784 -0.0203 H 1 UNL1111111 0.1388 21 H -4.8351 -0.2828 1.5126 H 1 UNL1111111 0.1486 22 H -4.5124 1.9182 -0.5328 H 1 UNL1111111 0.1409 23 H -3.6127 1.7720 0.9872 H 1 UNL1111111 0.1623 24 H 1.3480 1.2918 0.2847 H 1 UNL1111111 0.1683 25 H 1.1506 -0.3348 0.9573 H 1 UNL1111111 0.1656 26 H 2.4767 -1.2939 -1.0200 H 1 UNL1111111 0.1491 27 H 2.6977 0.3443 -1.6498 H 1 UNL1111111 0.1493 28 H 3.5361 -1.9908 1.1629 H 1 UNL1111111 0.1451 29 H 4.6846 -0.9248 1.9783 H 1 UNL1111111 0.1470 30 H 2.9552 -0.6050 2.0937 H 1 UNL1111111 0.1473 31 H 5.1392 0.0762 -1.5963 H 1 UNL1111111 0.1448 32 H 5.9716 -0.4389 -0.1285 H 1 UNL1111111 0.1473 33 H 4.9354 -1.5739 -0.9950 H 1 UNL1111111 0.1443 34 H 3.2510 1.7447 1.2406 H 1 UNL1111111 0.1476 35 H 4.9928 1.5357 1.0778 H 1 UNL1111111 0.1473 36 H 4.0353 2.0560 -0.3127 H 1 UNL1111111 0.1457 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1