@MOLECULE S-[(1S)-2,2-dimethylcyclopropyl] 2,2-dimethylpentanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.4512 1.0952 0.0391 C.3 1 UNL111 -0.4409 2 C 4.4071 -0.0224 0.0457 C.3 1 UNL111 -0.2465 3 C 2.9939 0.5700 0.0247 C.3 1 UNL111 -0.2836 4 C 1.8660 -0.4896 0.0325 C.3 1 UNL111 0.0222 5 C 1.9428 -1.3654 -1.2202 C.3 1 UNL111 -0.4552 6 C 1.9261 -1.3380 1.3054 C.3 1 UNL111 -0.4545 7 C 0.5489 0.2853 0.0241 C.2 1 UNL111 0.4140 8 O 0.4807 1.4802 0.0620 O.2 1 UNL111 -0.4378 9 S -0.9801 -0.7063 -0.0328 S.3 1 UNL111 -0.0976 10 C -2.2431 0.5664 -0.1074 C.3 1 UNL111 -0.2494 11 H -1.8967 1.5062 0.3492 H 1 UNL111 0.1933 12 C -3.1684 0.6551 -1.2970 C.3 1 UNL111 -0.3447 13 C -3.7153 0.1956 0.0410 C.3 1 UNL111 0.0764 14 C -4.1420 -1.2397 0.2056 C.3 1 UNL111 -0.4474 15 C -4.5761 1.1512 0.8316 C.3 1 UNL111 -0.4485 16 H 5.3446 1.7486 0.9127 H 1 UNL111 0.1453 17 H 6.4681 0.6886 0.0542 H 1 UNL111 0.1394 18 H 5.3606 1.7232 -0.8545 H 1 UNL111 0.1454 19 H 4.5628 -0.6829 -0.8279 H 1 UNL111 0.1331 20 H 4.5468 -0.6587 0.9397 H 1 UNL111 0.1332 21 H 2.8636 1.2482 0.8926 H 1 UNL111 0.1546 22 H 2.8773 1.2181 -0.8676 H 1 UNL111 0.1531 23 H 2.9242 -1.8494 -1.3008 H 1 UNL111 0.1543 24 H 1.2004 -2.1727 -1.2188 H 1 UNL111 0.1602 25 H 1.7960 -0.7789 -2.1353 H 1 UNL111 0.1545 26 H 1.8012 -0.7259 2.2071 H 1 UNL111 0.1546 27 H 1.1607 -2.1232 1.3265 H 1 UNL111 0.1600 28 H 2.8934 -1.8482 1.3914 H 1 UNL111 0.1542 29 H -3.4336 1.6345 -1.6878 H 1 UNL111 0.1635 30 H -3.0847 -0.0495 -2.1202 H 1 UNL111 0.1667 31 H -3.6719 -1.9137 -0.5218 H 1 UNL111 0.1559 32 H -3.8976 -1.6172 1.2082 H 1 UNL111 0.1578 33 H -5.2273 -1.3453 0.0730 H 1 UNL111 0.1520 34 H -5.6185 1.1191 0.4884 H 1 UNL111 0.1545 35 H -4.5692 0.8969 1.8998 H 1 UNL111 0.1553 36 H -4.2393 2.1917 0.7446 H 1 UNL111 0.1525 @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 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 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 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