@MOLECULE (2S)-1-cyclopentyl-2-methyl-pentane-1-thione 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5381 1.4602 -0.3309 C.3 1 UNL111 -0.2613 2 C -3.0356 1.8206 -0.3349 C.3 1 UNL111 -0.2616 3 C -3.8064 0.5438 0.0575 C.3 1 UNL111 -0.2659 4 C -2.7673 -0.5907 0.1018 C.3 1 UNL111 -0.2625 5 C -1.4386 0.1160 0.4337 C.3 1 UNL111 -0.1505 6 C -0.1720 -0.6100 0.0969 C.2 1 UNL111 0.0770 7 S -0.1136 -1.9735 -0.7411 S.2 1 UNL111 -0.2024 8 C 1.0600 0.0521 0.6731 C.3 1 UNL111 -0.1342 9 H 0.8231 1.1188 0.9291 H 1 UNL111 0.1472 10 C 1.4321 -0.6761 1.9738 C.3 1 UNL111 -0.4387 11 C 2.2443 0.0644 -0.3116 C.3 1 UNL111 -0.2712 12 C 3.2713 1.1400 0.0709 C.3 1 UNL111 -0.2499 13 C 4.5315 1.0047 -0.7837 C.3 1 UNL111 -0.4396 14 H -1.1635 1.3480 -1.3630 H 1 UNL111 0.1445 15 H -0.9313 2.2465 0.1410 H 1 UNL111 0.1325 16 H -3.2470 2.6382 0.3725 H 1 UNL111 0.1324 17 H -3.3486 2.1835 -1.3270 H 1 UNL111 0.1357 18 H -4.2939 0.6682 1.0381 H 1 UNL111 0.1323 19 H -4.6110 0.3204 -0.6598 H 1 UNL111 0.1350 20 H -3.0210 -1.3614 0.8441 H 1 UNL111 0.1380 21 H -2.7279 -1.1013 -0.8777 H 1 UNL111 0.1592 22 H -1.4351 0.3323 1.5358 H 1 UNL111 0.1546 23 H 1.7359 -1.7139 1.7862 H 1 UNL111 0.1603 24 H 2.2748 -0.1813 2.4709 H 1 UNL111 0.1503 25 H 0.5961 -0.6972 2.6808 H 1 UNL111 0.1436 26 H 2.7312 -0.9297 -0.3410 H 1 UNL111 0.1572 27 H 1.8888 0.2536 -1.3427 H 1 UNL111 0.1443 28 H 2.8323 2.1470 -0.0590 H 1 UNL111 0.1317 29 H 3.5348 1.0583 1.1419 H 1 UNL111 0.1339 30 H 5.2514 1.7991 -0.5594 H 1 UNL111 0.1392 31 H 5.0338 0.0470 -0.6064 H 1 UNL111 0.1440 32 H 4.2998 1.0605 -1.8534 H 1 UNL111 0.1450 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 8 10 1 11 8 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1