@MOLECULE 2,6,6-trimethyloctane-4-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7061 0.5685 -0.0893 C.3 1 UNL11111111 -0.0421 2 C 2.1888 1.1567 -1.4050 C.3 1 UNL11111111 -0.4568 3 C 3.6990 1.5452 0.5575 C.3 1 UNL11111111 -0.4603 4 C 1.5510 0.3007 0.8990 C.3 1 UNL11111111 -0.3453 5 C 0.6047 -0.7934 0.5215 C.2 1 UNL11111111 0.1506 6 S 1.0631 -2.1503 -0.2148 S.2 1 UNL11111111 -0.2451 7 C -0.8029 -0.6106 1.0015 C.3 1 UNL11111111 -0.3660 8 C -1.7453 0.1809 0.0399 C.3 1 UNL11111111 0.1361 9 C -1.3141 1.6489 -0.0502 C.3 1 UNL11111111 -0.4764 10 C -1.7410 -0.4442 -1.3574 C.3 1 UNL11111111 -0.4673 11 C -3.1633 0.0798 0.6670 C.3 1 UNL11111111 -0.2789 12 C -4.2490 0.8201 -0.1128 C.3 1 UNL11111111 -0.4326 13 H 3.2438 -0.3881 -0.3042 H 1 UNL11111111 0.1531 14 H 1.7379 2.1436 -1.2614 H 1 UNL11111111 0.1411 15 H 3.0041 1.2715 -2.1290 H 1 UNL11111111 0.1475 16 H 1.4368 0.5102 -1.8707 H 1 UNL11111111 0.1495 17 H 3.2278 2.5038 0.7968 H 1 UNL11111111 0.1431 18 H 4.1194 1.1388 1.4828 H 1 UNL11111111 0.1422 19 H 4.5378 1.7528 -0.1167 H 1 UNL11111111 0.1474 20 H 1.9871 0.0474 1.8957 H 1 UNL11111111 0.1691 21 H 1.0065 1.2545 1.0719 H 1 UNL11111111 0.1634 22 H -1.2780 -1.5995 1.1961 H 1 UNL11111111 0.1717 23 H -0.8024 -0.0976 1.9870 H 1 UNL11111111 0.1551 24 H -0.3161 1.7475 -0.4920 H 1 UNL11111111 0.1519 25 H -1.9961 2.2226 -0.6890 H 1 UNL11111111 0.1528 26 H -1.3039 2.1311 0.9315 H 1 UNL11111111 0.1431 27 H -1.9843 -1.5125 -1.3235 H 1 UNL11111111 0.1564 28 H -2.4731 0.0394 -2.0133 H 1 UNL11111111 0.1482 29 H -0.7666 -0.3434 -1.8471 H 1 UNL11111111 0.1500 30 H -3.4451 -0.9882 0.7496 H 1 UNL11111111 0.1385 31 H -3.1314 0.4693 1.7023 H 1 UNL11111111 0.1337 32 H -4.3560 0.4292 -1.1307 H 1 UNL11111111 0.1450 33 H -5.2228 0.7146 0.3799 H 1 UNL11111111 0.1388 34 H -4.0376 1.8920 -0.1893 H 1 UNL11111111 0.1426 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 7 22 1 22 7 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1