@MOLECULE 6-methyl-3-thiaheptane 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1540 -0.1176 0.0772 C.3 1 UNL1111111111111 -0.4304 2 C 2.7848 -0.6423 -0.3189 C.3 1 UNL1111111111111 -0.2890 3 S 1.5047 0.5746 0.2108 S.3 1 UNL1111111111111 -0.0672 4 C -0.0359 -0.2822 -0.3209 C.3 1 UNL1111111111111 -0.3140 5 C -1.2409 0.5428 0.1191 C.3 1 UNL1111111111111 -0.2798 6 C -2.5601 -0.1125 -0.3450 C.3 1 UNL1111111111111 -0.0580 7 C -2.8169 -1.4301 0.3949 C.3 1 UNL1111111111111 -0.4545 8 C -3.7232 0.8566 -0.0969 C.3 1 UNL1111111111111 -0.4563 9 H 4.3843 0.8514 -0.3874 H 1 UNL1111111111111 0.1552 10 H 4.2542 0.0108 1.1638 H 1 UNL1111111111111 0.1551 11 H 4.9437 -0.8149 -0.2351 H 1 UNL1111111111111 0.1473 12 H 2.7210 -0.7939 -1.4108 H 1 UNL1111111111111 0.1481 13 H 2.5854 -1.6188 0.1569 H 1 UNL1111111111111 0.1477 14 H -0.0280 -0.4103 -1.4175 H 1 UNL1111111111111 0.1501 15 H -0.0682 -1.2924 0.1238 H 1 UNL1111111111111 0.1516 16 H -1.2600 0.6663 1.2200 H 1 UNL1111111111111 0.1512 17 H -1.1836 1.5694 -0.2974 H 1 UNL1111111111111 0.1492 18 H -2.4940 -0.3203 -1.4399 H 1 UNL1111111111111 0.1291 19 H -3.7992 -1.8423 0.1397 H 1 UNL1111111111111 0.1439 20 H -2.0692 -2.1879 0.1408 H 1 UNL1111111111111 0.1400 21 H -2.7923 -1.2913 1.4814 H 1 UNL1111111111111 0.1470 22 H -3.5867 1.7965 -0.6421 H 1 UNL1111111111111 0.1432 23 H -4.6754 0.4243 -0.4231 H 1 UNL1111111111111 0.1439 24 H -3.8209 1.1004 0.9666 H 1 UNL1111111111111 0.1465 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 7 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1