@MOLECULE S-[(1S)-2,2-dimethylcyclopropyl] hexanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.6337 0.2782 -0.0581 C.3 1 UNL111111111111 -0.4413 2 C 5.3269 -0.5120 0.0102 C.3 1 UNL111111111111 -0.2500 3 C 4.1170 0.4304 -0.0518 C.3 1 UNL111111111111 -0.2744 4 C 2.8082 -0.3647 -0.0112 C.3 1 UNL111111111111 -0.2527 5 C 1.5992 0.5794 -0.0611 C.3 1 UNL111111111111 -0.3656 6 C 0.3282 -0.2110 -0.0485 C.2 1 UNL111111111111 0.4423 7 O 0.2558 -1.4044 -0.1009 O.2 1 UNL111111111111 -0.4279 8 S -1.1750 0.8174 0.0439 S.3 1 UNL111111111111 -0.1019 9 C -2.4673 -0.4227 0.1504 C.3 1 UNL111111111111 -0.2555 10 H -2.1272 -1.3918 -0.2485 H 1 UNL111111111111 0.1945 11 C -3.4183 -0.4341 1.3231 C.3 1 UNL111111111111 -0.3443 12 C -3.9323 -0.0478 -0.0503 C.3 1 UNL111111111111 0.0779 13 C -4.3420 1.3796 -0.3023 C.3 1 UNL111111111111 -0.4481 14 C -4.7845 -1.0403 -0.8044 C.3 1 UNL111111111111 -0.4481 15 H 6.7194 0.9865 0.7734 H 1 UNL111111111111 0.1419 16 H 7.5030 -0.3873 -0.0133 H 1 UNL111111111111 0.1421 17 H 6.7072 0.8520 -0.9886 H 1 UNL111111111111 0.1420 18 H 5.2832 -1.2419 -0.8205 H 1 UNL111111111111 0.1367 19 H 5.2946 -1.1115 0.9397 H 1 UNL111111111111 0.1364 20 H 4.1568 1.1466 0.7901 H 1 UNL111111111111 0.1367 21 H 4.1652 1.0412 -0.9727 H 1 UNL111111111111 0.1367 22 H 2.7652 -1.0824 -0.8547 H 1 UNL111111111111 0.1533 23 H 2.7630 -0.9881 0.9035 H 1 UNL111111111111 0.1505 24 H 1.6382 1.2865 0.7959 H 1 UNL111111111111 0.1779 25 H 1.6511 1.2164 -0.9716 H 1 UNL111111111111 0.1788 26 H -3.7017 -1.3860 1.7655 H 1 UNL111111111111 0.1642 27 H -3.3457 0.3176 2.1051 H 1 UNL111111111111 0.1670 28 H -3.8868 2.0873 0.4023 H 1 UNL111111111111 0.1554 29 H -4.0647 1.7021 -1.3153 H 1 UNL111111111111 0.1583 30 H -5.4301 1.4997 -0.2069 H 1 UNL111111111111 0.1534 31 H -5.8360 -0.9712 -0.4959 H 1 UNL111111111111 0.1549 32 H -4.7422 -0.8548 -1.8860 H 1 UNL111111111111 0.1559 33 H -4.4687 -2.0784 -0.6408 H 1 UNL111111111111 0.1528 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 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 9 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 11 26 1 27 11 27 1 28 13 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 14 33 1