@MOLECULE 1-cyclopentyl-3,3-dimethyl-butane-1-thione 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4858 1.3083 -0.2960 C.3 1 UNL111 -0.2606 2 C -3.0007 1.5699 -0.4021 C.3 1 UNL111 -0.2620 3 C -3.7102 0.2913 0.0873 C.3 1 UNL111 -0.2668 4 C -2.6089 -0.7698 0.2595 C.3 1 UNL111 -0.2608 5 C -1.3406 0.0446 0.5862 C.3 1 UNL111 -0.1520 6 C -0.0172 -0.6359 0.3858 C.2 1 UNL111 0.1116 7 S 0.1265 -2.0899 -0.2779 S.2 1 UNL111 -0.2212 8 C 1.1399 0.1179 0.9702 C.3 1 UNL111 -0.3555 9 C 2.2936 0.5254 0.0087 C.3 1 UNL111 0.1578 10 C 1.7509 1.2204 -1.2455 C.3 1 UNL111 -0.4725 11 C 3.1845 1.5227 0.7819 C.3 1 UNL111 -0.4726 12 C 3.1566 -0.6757 -0.3946 C.3 1 UNL111 -0.4664 13 H -1.0566 1.1307 -1.2974 H 1 UNL111 0.1447 14 H -0.9502 2.1679 0.1316 H 1 UNL111 0.1328 15 H -3.2970 2.4404 0.2043 H 1 UNL111 0.1320 16 H -3.2842 1.8079 -1.4401 H 1 UNL111 0.1353 17 H -4.2302 0.4742 1.0420 H 1 UNL111 0.1321 18 H -4.4801 -0.0430 -0.6245 H 1 UNL111 0.1348 19 H -2.8489 -1.4961 1.0495 H 1 UNL111 0.1385 20 H -2.4961 -1.3488 -0.6751 H 1 UNL111 0.1591 21 H -1.4096 0.3541 1.6640 H 1 UNL111 0.1532 22 H 0.7778 1.0469 1.4644 H 1 UNL111 0.1536 23 H 1.5834 -0.4830 1.7978 H 1 UNL111 0.1714 24 H 1.1677 2.1114 -0.9933 H 1 UNL111 0.1429 25 H 2.5692 1.5399 -1.9016 H 1 UNL111 0.1505 26 H 1.1127 0.5534 -1.8351 H 1 UNL111 0.1512 27 H 3.6141 1.0630 1.6776 H 1 UNL111 0.1449 28 H 4.0176 1.8676 0.1604 H 1 UNL111 0.1480 29 H 2.6258 2.4099 1.0938 H 1 UNL111 0.1424 30 H 2.6598 -1.3118 -1.1363 H 1 UNL111 0.1628 31 H 4.1020 -0.3520 -0.8438 H 1 UNL111 0.1423 32 H 3.3997 -1.3098 0.4642 H 1 UNL111 0.1484 @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 9 11 1 12 9 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 10 24 1 25 10 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