@MOLECULE S-[(1R)-2,2-dimethylcyclobutyl] 5-methylhexanethioate 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.2084 -0.0943 0.3107 C.3 1 UNL11111111 -0.0585 2 C 5.3930 -1.4658 -0.3488 C.3 1 UNL11111111 -0.4542 3 C 6.4439 0.7765 0.0469 C.3 1 UNL11111111 -0.4590 4 C 3.9525 0.6158 -0.2300 C.3 1 UNL11111111 -0.2903 5 C 2.6681 -0.0361 0.2916 C.3 1 UNL11111111 -0.2513 6 C 1.4375 0.7083 -0.2433 C.3 1 UNL11111111 -0.3655 7 C 0.1869 0.0737 0.2800 C.2 1 UNL11111111 0.4464 8 O 0.1064 -0.5598 1.2929 O.2 1 UNL11111111 -0.4352 9 S -1.2707 0.3690 -0.7677 S.3 1 UNL11111111 -0.1453 10 C -2.6039 -0.4680 0.1401 C.3 1 UNL11111111 -0.1864 11 H -2.2395 -0.7336 1.1532 H 1 UNL11111111 0.1791 12 C -3.9981 0.2563 0.1840 C.3 1 UNL11111111 0.1089 13 C -4.4669 0.4926 1.6119 C.3 1 UNL11111111 -0.4677 14 C -4.1561 1.5183 -0.6441 C.3 1 UNL11111111 -0.4640 15 C -4.6378 -1.0028 -0.4913 C.3 1 UNL11111111 -0.3092 16 C -3.2449 -1.6696 -0.5955 C.3 1 UNL11111111 -0.2778 17 H 5.0986 -0.2348 1.4135 H 1 UNL11111111 0.1322 18 H 6.2874 -1.9702 0.0322 H 1 UNL11111111 0.1426 19 H 4.5389 -2.1233 -0.1540 H 1 UNL11111111 0.1450 20 H 5.5018 -1.3785 -1.4351 H 1 UNL11111111 0.1435 21 H 6.5793 0.9654 -1.0232 H 1 UNL11111111 0.1438 22 H 6.3658 1.7463 0.5488 H 1 UNL11111111 0.1413 23 H 7.3557 0.2914 0.4120 H 1 UNL11111111 0.1445 24 H 3.9755 1.6821 0.0650 H 1 UNL11111111 0.1369 25 H 3.9663 0.6075 -1.3355 H 1 UNL11111111 0.1394 26 H 2.6257 -1.1011 -0.0081 H 1 UNL11111111 0.1481 27 H 2.6576 -0.0408 1.4001 H 1 UNL11111111 0.1551 28 H 1.4683 1.7750 0.0753 H 1 UNL11111111 0.1785 29 H 1.4679 0.7322 -1.3533 H 1 UNL11111111 0.1763 30 H -3.8632 1.2650 2.1048 H 1 UNL11111111 0.1535 31 H -5.5113 0.8253 1.6374 H 1 UNL11111111 0.1513 32 H -4.3998 -0.4152 2.2232 H 1 UNL11111111 0.1510 33 H -3.8719 1.3726 -1.6934 H 1 UNL11111111 0.1542 34 H -5.2014 1.8537 -0.6450 H 1 UNL11111111 0.1483 35 H -3.5531 2.3455 -0.2485 H 1 UNL11111111 0.1571 36 H -5.3526 -1.5369 0.1376 H 1 UNL11111111 0.1446 37 H -5.1189 -0.8034 -1.4508 H 1 UNL11111111 0.1442 38 H -2.9054 -1.8378 -1.6225 H 1 UNL11111111 0.1523 39 H -3.1496 -2.6206 -0.0614 H 1 UNL11111111 0.1463 @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 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 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 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 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1