@MOLECULE S-pentyl cyclopentanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0473 -1.1123 0.5606 C.3 1 UNL111 -0.2544 2 C -4.5809 -1.0227 0.6543 C.3 1 UNL111 -0.2606 3 C -4.9890 0.3637 0.1183 C.3 1 UNL111 -0.2629 4 C -3.6982 1.0775 -0.3169 C.3 1 UNL111 -0.2591 5 C -2.6327 -0.0284 -0.4556 C.3 1 UNL111 -0.1970 6 C -1.2577 0.4924 -0.1534 C.2 1 UNL111 0.4202 7 O -1.0131 1.5624 0.3265 O.2 1 UNL111 -0.4318 8 S 0.0940 -0.6499 -0.5716 S.3 1 UNL111 -0.1385 9 C 1.5596 0.3291 -0.0419 C.3 1 UNL111 -0.2877 10 C 2.8150 -0.5267 -0.1578 C.3 1 UNL111 -0.2733 11 C 4.0491 0.3234 0.1844 C.3 1 UNL111 -0.2700 12 C 5.3329 -0.5073 0.0592 C.3 1 UNL111 -0.2497 13 C 6.5609 0.3415 0.3889 C.3 1 UNL111 -0.4378 14 H -2.5901 -0.9265 1.5491 H 1 UNL111 0.1459 15 H -2.7176 -2.1160 0.2483 H 1 UNL111 0.1440 16 H -5.0544 -1.8234 0.0621 H 1 UNL111 0.1339 17 H -4.9221 -1.1663 1.6919 H 1 UNL111 0.1354 18 H -5.6880 0.2635 -0.7283 H 1 UNL111 0.1332 19 H -5.5216 0.9479 0.8861 H 1 UNL111 0.1362 20 H -3.8302 1.6338 -1.2570 H 1 UNL111 0.1383 21 H -3.3916 1.8258 0.4395 H 1 UNL111 0.1604 22 H -2.6760 -0.4477 -1.4907 H 1 UNL111 0.1686 23 H 1.6322 1.2381 -0.6688 H 1 UNL111 0.1651 24 H 1.4086 0.6826 0.9966 H 1 UNL111 0.1679 25 H 2.7664 -1.4015 0.5213 H 1 UNL111 0.1483 26 H 2.9272 -0.9423 -1.1793 H 1 UNL111 0.1483 27 H 4.1037 1.2017 -0.4862 H 1 UNL111 0.1404 28 H 3.9602 0.7289 1.2097 H 1 UNL111 0.1407 29 H 5.2863 -1.3833 0.7334 H 1 UNL111 0.1346 30 H 5.4216 -0.9174 -0.9647 H 1 UNL111 0.1346 31 H 6.6518 1.1964 -0.2907 H 1 UNL111 0.1432 32 H 6.5133 0.7360 1.4101 H 1 UNL111 0.1433 33 H 7.4828 -0.2445 0.3054 H 1 UNL111 0.1402 @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 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 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1