@MOLECULE (4S,6R)-4,6-dimethylnonane-5-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.4021 0.4612 -0.5526 C.3 1 UNL111 -0.1332 2 H 1.2752 0.0355 -1.5840 H 1 UNL111 0.1471 3 C 2.3091 1.6885 -0.6765 C.3 1 UNL111 -0.4401 4 C 2.0456 -0.6222 0.3418 C.3 1 UNL111 -0.2739 5 C 3.1674 -1.3626 -0.3975 C.3 1 UNL111 -0.2472 6 C 3.8343 -2.3858 0.5223 C.3 1 UNL111 -0.4388 7 C 0.0417 0.7896 0.0174 C.2 1 UNL111 0.0814 8 S -0.1829 1.8285 1.2153 S.2 1 UNL111 -0.2052 9 C -1.0813 0.0399 -0.6590 C.3 1 UNL111 -0.1351 10 H -0.6800 -0.9284 -1.0631 H 1 UNL111 0.1488 11 C -1.5620 0.8957 -1.8423 C.3 1 UNL111 -0.4387 12 C -2.2467 -0.3064 0.2851 C.3 1 UNL111 -0.2724 13 C -3.1591 -1.3781 -0.3291 C.3 1 UNL111 -0.2498 14 C -4.3354 -1.6784 0.6001 C.3 1 UNL111 -0.4397 15 H 2.5906 2.0980 0.3025 H 1 UNL111 0.1637 16 H 3.2408 1.4366 -1.1959 H 1 UNL111 0.1439 17 H 1.8245 2.4920 -1.2427 H 1 UNL111 0.1479 18 H 2.4423 -0.1595 1.2661 H 1 UNL111 0.1542 19 H 1.2801 -1.3487 0.6746 H 1 UNL111 0.1403 20 H 2.7652 -1.8674 -1.2956 H 1 UNL111 0.1324 21 H 3.9216 -0.6412 -0.7658 H 1 UNL111 0.1369 22 H 4.2681 -1.9066 1.4078 H 1 UNL111 0.1447 23 H 3.1190 -3.1380 0.8729 H 1 UNL111 0.1439 24 H 4.6437 -2.9149 0.0074 H 1 UNL111 0.1400 25 H -0.7322 1.1897 -2.4946 H 1 UNL111 0.1451 26 H -2.2858 0.3469 -2.4558 H 1 UNL111 0.1502 27 H -2.0580 1.8129 -1.5007 H 1 UNL111 0.1580 28 H -1.8587 -0.6715 1.2558 H 1 UNL111 0.1461 29 H -2.8391 0.5989 0.5202 H 1 UNL111 0.1563 30 H -3.5366 -1.0411 -1.3126 H 1 UNL111 0.1335 31 H -2.5853 -2.3036 -0.5233 H 1 UNL111 0.1318 32 H -3.9937 -2.0456 1.5747 H 1 UNL111 0.1445 33 H -4.9416 -0.7830 0.7806 H 1 UNL111 0.1445 34 H -4.9944 -2.4418 0.1729 H 1 UNL111 0.1390 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1