@MOLECULE 2,2-dimethyl-1-[(1S,2R)-2-methylcyclobutyl]pentane-1-thione 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6627 -0.3904 0.5857 C.3 1 UNL111111 -0.4409 2 C 3.4959 0.4892 0.1317 C.3 1 UNL111111 -0.2459 3 C 2.1782 -0.2987 0.1972 C.3 1 UNL111111 -0.2847 4 C 0.9616 0.4621 -0.3840 C.3 1 UNL111111 0.0583 5 C 0.8125 1.8044 0.3514 C.3 1 UNL111111 -0.4588 6 C 1.1843 0.7031 -1.8900 C.3 1 UNL111111 -0.4569 7 C -0.3355 -0.3358 -0.2556 C.2 1 UNL111111 0.0942 8 S -0.3657 -1.8781 0.1937 S.2 1 UNL111111 -0.2234 9 C -1.5743 0.4001 -0.6285 C.3 1 UNL111111 -0.1943 10 H -1.3334 1.2304 -1.3286 H 1 UNL111111 0.1514 11 C -2.4824 0.9471 0.5443 C.3 1 UNL111111 -0.0643 12 H -2.6116 2.0411 0.4512 H 1 UNL111111 0.1300 13 C -2.1113 0.5866 1.9650 C.3 1 UNL111111 -0.4591 14 C -3.6887 0.1524 -0.0316 C.3 1 UNL111111 -0.2927 15 C -2.7988 -0.4006 -1.1687 C.3 1 UNL111111 -0.2654 16 H 5.6068 0.1641 0.5705 H 1 UNL111111 0.1378 17 H 4.5123 -0.7591 1.6066 H 1 UNL111111 0.1448 18 H 4.7828 -1.2643 -0.0646 H 1 UNL111111 0.1445 19 H 3.4383 1.3901 0.7700 H 1 UNL111111 0.1321 20 H 3.6825 0.8515 -0.8962 H 1 UNL111111 0.1320 21 H 2.3149 -1.2567 -0.3445 H 1 UNL111111 0.1570 22 H 1.9811 -0.5696 1.2534 H 1 UNL111111 0.1502 23 H 1.6713 2.4575 0.1567 H 1 UNL111111 0.1544 24 H -0.0793 2.3584 0.0424 H 1 UNL111111 0.1480 25 H 0.7537 1.6561 1.4359 H 1 UNL111111 0.1512 26 H 1.2477 -0.2432 -2.4401 H 1 UNL111111 0.1552 27 H 0.3834 1.2992 -2.3386 H 1 UNL111111 0.1452 28 H 2.1216 1.2443 -2.0671 H 1 UNL111111 0.1555 29 H -1.1150 0.9577 2.2332 H 1 UNL111111 0.1487 30 H -2.8270 1.0179 2.6768 H 1 UNL111111 0.1490 31 H -2.1136 -0.4981 2.1347 H 1 UNL111111 0.1634 32 H -4.0853 -0.6142 0.6403 H 1 UNL111111 0.1493 33 H -4.5231 0.7736 -0.3626 H 1 UNL111111 0.1363 34 H -3.1036 -0.1012 -2.1748 H 1 UNL111111 0.1357 35 H -2.6956 -1.4897 -1.1679 H 1 UNL111111 0.1620 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 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 3 21 1 22 3 22 1 23 5 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 6 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1