@MOLECULE S-[(1S)-2,2-dimethylcyclopropyl] 4,4-dimethylpentanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2486 0.9712 -1.1817 C.3 1 UNL111111111111111 -0.4673 2 C -4.0484 0.0496 0.0308 C.3 1 UNL111111111111111 0.1291 3 C -4.2390 0.8507 1.3274 C.3 1 UNL111111111111111 -0.4674 4 C -5.0996 -1.0758 -0.0186 C.3 1 UNL111111111111111 -0.4703 5 C -2.6517 -0.6091 -0.0062 C.3 1 UNL111111111111111 -0.2794 6 C -1.4920 0.3939 0.0319 C.3 1 UNL111111111111111 -0.3620 7 C -0.1887 -0.3415 0.0342 C.2 1 UNL111111111111111 0.4422 8 O -0.0650 -1.5310 0.0838 O.2 1 UNL111111111111111 -0.4297 9 S 1.2727 0.7482 -0.0332 S.3 1 UNL111111111111111 -0.1032 10 C 2.6146 -0.4395 -0.1216 C.3 1 UNL111111111111111 -0.2555 11 H 2.3222 -1.4089 0.3126 H 1 UNL111111111111111 0.1939 12 C 3.5501 -0.4483 -1.3068 C.3 1 UNL111111111111111 -0.3441 13 C 4.0641 0.0060 0.0456 C.3 1 UNL111111111111111 0.0777 14 C 4.4125 1.4575 0.2467 C.3 1 UNL111111111111111 -0.4482 15 C 4.9693 -0.9225 0.8192 C.3 1 UNL111111111111111 -0.4481 16 H -3.5830 1.8390 -1.1479 H 1 UNL111111111111111 0.1430 17 H -4.0595 0.4412 -2.1211 H 1 UNL111111111111111 0.1466 18 H -5.2743 1.3533 -1.2217 H 1 UNL111111111111111 0.1440 19 H -5.2655 1.2228 1.4140 H 1 UNL111111111111111 0.1442 20 H -4.0383 0.2343 2.2101 H 1 UNL111111111111111 0.1468 21 H -3.5768 1.7208 1.3700 H 1 UNL111111111111111 0.1427 22 H -5.0053 -1.6720 -0.9321 H 1 UNL111111111111111 0.1465 23 H -4.9978 -1.7560 0.8335 H 1 UNL111111111111111 0.1467 24 H -6.1170 -0.6725 0.0049 H 1 UNL111111111111111 0.1447 25 H -2.5560 -1.3174 0.8419 H 1 UNL111111111111111 0.1546 26 H -2.5646 -1.2371 -0.9156 H 1 UNL111111111111111 0.1517 27 H -1.5579 1.0845 -0.8368 H 1 UNL111111111111111 0.1792 28 H -1.5740 1.0419 0.9321 H 1 UNL111111111111111 0.1802 29 H 3.8691 -1.4015 -1.7213 H 1 UNL111111111111111 0.1641 30 H 3.4339 0.2728 -2.1119 H 1 UNL111111111111111 0.1670 31 H 3.9041 2.1230 -0.4624 H 1 UNL111111111111111 0.1557 32 H 4.1498 1.7950 1.2590 H 1 UNL111111111111111 0.1581 33 H 5.4904 1.6247 0.1154 H 1 UNL111111111111111 0.1533 34 H 6.0104 -0.8278 0.4839 H 1 UNL111111111111111 0.1548 35 H 4.9438 -0.6946 1.8931 H 1 UNL111111111111111 0.1557 36 H 4.6882 -1.9768 0.7051 H 1 UNL111111111111111 0.1528 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 10 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 15 36 1