@MOLECULE S-cyclohexyl pentanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.9472 0.9267 0.0136 C.3 1 UNL11111111 -0.4394 2 C 4.9024 -0.1628 0.2540 C.3 1 UNL11111111 -0.2517 3 C 3.5073 0.3329 -0.1426 C.3 1 UNL11111111 -0.2521 4 C 2.4503 -0.7504 0.1103 C.3 1 UNL11111111 -0.3686 5 C 1.0981 -0.2427 -0.2823 C.2 1 UNL11111111 0.4491 6 O 0.8968 0.6996 -0.9933 O.2 1 UNL11111111 -0.4345 7 S -0.2877 -1.1946 0.4114 S.3 1 UNL11111111 -0.1925 8 C -1.7598 -0.2235 -0.1728 C.3 1 UNL11111111 -0.0975 9 C -2.9598 -1.1697 -0.2255 C.3 1 UNL11111111 -0.2814 10 C -4.2018 -0.3935 -0.6939 C.3 1 UNL11111111 -0.2605 11 C -4.4787 0.7973 0.2324 C.3 1 UNL11111111 -0.2659 12 C -3.2602 1.7268 0.2887 C.3 1 UNL11111111 -0.2616 13 C -2.0178 0.9571 0.7641 C.3 1 UNL11111111 -0.2804 14 H 5.9857 1.2202 -1.0418 H 1 UNL11111111 0.1455 15 H 5.7293 1.8284 0.5974 H 1 UNL11111111 0.1447 16 H 6.9496 0.5869 0.2965 H 1 UNL11111111 0.1405 17 H 5.1644 -1.0701 -0.3225 H 1 UNL11111111 0.1343 18 H 4.9121 -0.4657 1.3182 H 1 UNL11111111 0.1342 19 H 3.2523 1.2511 0.4217 H 1 UNL11111111 0.1483 20 H 3.4948 0.6346 -1.2093 H 1 UNL11111111 0.1552 21 H 2.6922 -1.6647 -0.4761 H 1 UNL11111111 0.1787 22 H 2.4811 -1.0676 1.1743 H 1 UNL11111111 0.1771 23 H -1.5284 0.1581 -1.1979 H 1 UNL11111111 0.1686 24 H -2.7725 -2.0162 -0.9147 H 1 UNL11111111 0.1454 25 H -3.1613 -1.6194 0.7665 H 1 UNL11111111 0.1484 26 H -4.0577 -0.0399 -1.7322 H 1 UNL11111111 0.1397 27 H -5.0771 -1.0682 -0.7199 H 1 UNL11111111 0.1339 28 H -5.3669 1.3536 -0.1187 H 1 UNL11111111 0.1333 29 H -4.7258 0.4374 1.2487 H 1 UNL11111111 0.1374 30 H -3.0722 2.1697 -0.7077 H 1 UNL11111111 0.1412 31 H -3.4582 2.5772 0.9665 H 1 UNL11111111 0.1348 32 H -2.1691 0.6170 1.8067 H 1 UNL11111111 0.1480 33 H -1.1465 1.6415 0.7847 H 1 UNL11111111 0.1480 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 8 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1