@MOLECULE 1-cyclopentyl-4-methyl-pentane-1-thione 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0312 1.1334 -0.8801 C.3 1 UNL1 -0.0460 2 C -3.5385 1.4060 -0.7103 C.3 1 UNL1 -0.0525 3 C -4.0346 0.4937 0.4299 C.3 1 UNL1 -0.0525 4 C -2.8785 -0.4755 0.7336 C.3 1 UNL1 -0.0460 5 C -1.6095 0.3208 0.3703 C.3 1 UNL1 -0.0129 6 C -0.3565 -0.4651 0.1052 C.2 1 UNL1 -0.0226 7 S -0.3255 -2.0536 -0.0953 S.2 1 UNL1 -0.0610 8 C 0.8596 0.4097 0.0538 C.3 1 UNL1 -0.0242 9 C 2.1958 -0.3086 -0.1674 C.3 1 UNL1 -0.0465 10 C 3.3702 0.6897 -0.2175 C.3 1 UNL1 -0.0464 11 C 3.6107 1.3413 1.1495 C.3 1 UNL1 -0.0627 12 C 4.6390 -0.0468 -0.6678 C.3 1 UNL1 -0.0627 13 H -1.8466 0.5533 -1.8011 H 1 UNL1 0.0271 14 H -1.4568 2.0663 -0.9721 H 1 UNL1 0.0271 15 H -3.7258 2.4655 -0.4743 H 1 UNL1 0.0265 16 H -4.0804 1.1992 -1.6473 H 1 UNL1 0.0265 17 H -4.2913 1.0889 1.3216 H 1 UNL1 0.0265 18 H -4.9495 -0.0489 0.1470 H 1 UNL1 0.0265 19 H -2.8728 -0.8059 1.7823 H 1 UNL1 0.0271 20 H -2.9827 -1.3882 0.1189 H 1 UNL1 0.0271 21 H -1.4115 1.0364 1.2112 H 1 UNL1 0.0351 22 H 0.7240 1.1735 -0.7469 H 1 UNL1 0.0315 23 H 0.9226 0.9976 0.9993 H 1 UNL1 0.0315 24 H 2.3761 -1.0517 0.6329 H 1 UNL1 0.0271 25 H 2.1682 -0.8844 -1.1140 H 1 UNL1 0.0271 26 H 3.1371 1.4877 -0.9623 H 1 UNL1 0.0296 27 H 3.7760 0.5889 1.9285 H 1 UNL1 0.0232 28 H 4.4939 1.9892 1.1279 H 1 UNL1 0.0232 29 H 2.7623 1.9589 1.4597 H 1 UNL1 0.0232 30 H 4.5091 -0.5016 -1.6554 H 1 UNL1 0.0232 31 H 5.4936 0.6348 -0.7300 H 1 UNL1 0.0232 32 H 4.9066 -0.8468 0.0314 H 1 UNL1 0.0232 @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 9 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1