@MOLECULE S-[(1S)-2,2-dimethylcyclobutyl] 2,2-dimethylbutanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9350 0.4893 0.0471 C.3 1 UNL111 -0.4333 2 C 3.4688 0.9053 0.1278 C.3 1 UNL111 -0.2650 3 C 2.4696 -0.2704 -0.0075 C.3 1 UNL111 0.0263 4 C 2.5925 -0.9187 -1.3857 C.3 1 UNL111 -0.4556 5 C 2.6805 -1.3090 1.1008 C.3 1 UNL111 -0.4541 6 C 1.0814 0.3253 0.2234 C.2 1 UNL111 0.4146 7 O 0.8977 1.3167 0.8722 O.2 1 UNL111 -0.4492 8 S -0.3421 -0.5522 -0.4925 S.3 1 UNL111 -0.1368 9 C -1.7330 0.5221 -0.0210 C.3 1 UNL111 -0.1809 10 H -1.4103 1.1903 0.8025 H 1 UNL111 0.1796 11 C -3.1008 -0.1845 0.2928 C.3 1 UNL111 0.1090 12 C -3.1803 -1.6818 0.0613 C.3 1 UNL111 -0.4639 13 C -3.6161 0.1697 1.6800 C.3 1 UNL111 -0.4679 14 C -3.7615 0.6532 -0.8524 C.3 1 UNL111 -0.3103 15 C -2.3924 1.2896 -1.1924 C.3 1 UNL111 -0.2782 16 H 5.5906 1.3652 0.1292 H 1 UNL111 0.1431 17 H 5.2078 -0.1958 0.8573 H 1 UNL111 0.1430 18 H 5.1717 -0.0037 -0.9018 H 1 UNL111 0.1417 19 H 3.2896 1.4277 1.0920 H 1 UNL111 0.1584 20 H 3.2505 1.6566 -0.6569 H 1 UNL111 0.1442 21 H 3.6249 -1.2402 -1.5752 H 1 UNL111 0.1535 22 H 1.9723 -1.8177 -1.4887 H 1 UNL111 0.1596 23 H 2.3205 -0.2265 -2.1917 H 1 UNL111 0.1551 24 H 2.6215 -0.8535 2.0971 H 1 UNL111 0.1561 25 H 1.9399 -2.1167 1.0576 H 1 UNL111 0.1567 26 H 3.6684 -1.7773 1.0141 H 1 UNL111 0.1556 27 H -2.5575 -2.2382 0.7733 H 1 UNL111 0.1572 28 H -4.2100 -2.0409 0.1848 H 1 UNL111 0.1476 29 H -2.8665 -1.9685 -0.9496 H 1 UNL111 0.1543 30 H -3.6036 1.2513 1.8596 H 1 UNL111 0.1507 31 H -4.6489 -0.1709 1.8193 H 1 UNL111 0.1506 32 H -3.0051 -0.2986 2.4614 H 1 UNL111 0.1534 33 H -4.1969 0.0549 -1.6547 H 1 UNL111 0.1437 34 H -4.5202 1.3606 -0.5121 H 1 UNL111 0.1438 35 H -2.3541 2.3785 -1.0874 H 1 UNL111 0.1457 36 H -2.0220 1.0456 -2.1929 H 1 UNL111 0.1519 @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 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1