@MOLECULE S-[(1S)-2,2-dimethylcyclobutyl] 2,2-dimethylpropanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7992 1.0340 0.0913 C.3 1 UNL1111 -0.4528 2 C 2.8194 -0.1455 0.0001 C.3 1 UNL1111 0.0435 3 C 2.9690 -0.8214 -1.3633 C.3 1 UNL1111 -0.4563 4 C 3.0910 -1.1466 1.1310 C.3 1 UNL1111 -0.4557 5 C 1.4204 0.4120 0.2374 C.2 1 UNL1111 0.4182 6 O 1.2091 1.3908 0.8952 O.2 1 UNL1111 -0.4429 7 S 0.0268 -0.5071 -0.4859 S.3 1 UNL1111 -0.1429 8 C -1.4009 0.5088 0.0025 C.3 1 UNL1111 -0.1812 9 H -1.1080 1.1591 0.8510 H 1 UNL1111 0.1784 10 C -2.7483 -0.2518 0.2751 C.3 1 UNL1111 0.1105 11 C -2.7785 -1.7420 -0.0075 C.3 1 UNL1111 -0.4642 12 C -3.2875 0.0390 1.6680 C.3 1 UNL1111 -0.4680 13 C -3.4228 0.6014 -0.8504 C.3 1 UNL1111 -0.3101 14 C -2.0719 1.2950 -1.1499 C.3 1 UNL1111 -0.2774 15 H 3.6179 1.7687 -0.7019 H 1 UNL1111 0.1530 16 H 3.6997 1.5653 1.0481 H 1 UNL1111 0.1646 17 H 4.8372 0.6983 0.0051 H 1 UNL1111 0.1482 18 H 4.0199 -1.0695 -1.5595 H 1 UNL1111 0.1516 19 H 2.4113 -1.7638 -1.4329 H 1 UNL1111 0.1599 20 H 2.6362 -0.1730 -2.1832 H 1 UNL1111 0.1563 21 H 2.9697 -0.6830 2.1185 H 1 UNL1111 0.1570 22 H 2.4198 -2.0125 1.0861 H 1 UNL1111 0.1572 23 H 4.1168 -1.5295 1.0738 H 1 UNL1111 0.1541 24 H -2.1471 -2.3031 0.6931 H 1 UNL1111 0.1572 25 H -3.7982 -2.1361 0.0908 H 1 UNL1111 0.1475 26 H -2.4447 -1.9851 -1.0236 H 1 UNL1111 0.1545 27 H -3.3108 1.1138 1.8840 H 1 UNL1111 0.1508 28 H -4.3102 -0.3380 1.7853 H 1 UNL1111 0.1505 29 H -2.6692 -0.4368 2.4394 H 1 UNL1111 0.1534 30 H -3.8258 0.0156 -1.6790 H 1 UNL1111 0.1436 31 H -4.2105 1.2702 -0.4982 H 1 UNL1111 0.1438 32 H -2.0714 2.3799 -1.0061 H 1 UNL1111 0.1459 33 H -1.6809 1.0989 -2.1530 H 1 UNL1111 0.1518 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 11 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1