@MOLECULE cyclopentyl (2S)-2-methylbutanoate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5045 -0.1484 -0.7236 C.3 1 UNL1111111 -0.8107 2 C 3.2721 -0.5475 0.0833 C.3 1 UNL1111111 -0.3098 3 C 2.0398 0.2794 -0.3187 C.3 1 UNL1111111 0.2529 4 H 1.9259 0.2640 -1.4331 H 1 UNL1111111 0.1520 5 C 2.1361 1.7285 0.1598 C.3 1 UNL1111111 -0.9076 6 C 0.8115 -0.3552 0.2948 C.2 1 UNL1111111 0.0851 7 O 0.7602 -1.3275 1.0031 O.2 1 UNL1111111 -0.3309 8 O -0.2930 0.3364 -0.0726 O.3 1 UNL1111111 -0.3091 9 C -1.5576 -0.0989 0.4422 C.3 1 UNL1111111 0.3575 10 C -2.4398 1.1610 0.4450 C.3 1 UNL1111111 -0.5031 11 C -3.7638 0.7686 -0.2334 C.3 1 UNL1111111 -0.2750 12 C -3.6771 -0.7349 -0.5655 C.3 1 UNL1111111 -0.3520 13 C -2.1856 -1.0939 -0.5433 C.3 1 UNL1111111 -0.3221 14 H 4.7603 0.9074 -0.5783 H 1 UNL1111111 0.2402 15 H 5.3784 -0.7389 -0.4238 H 1 UNL1111111 0.2472 16 H 4.3540 -0.3086 -1.7970 H 1 UNL1111111 0.2314 17 H 3.0602 -1.6280 -0.0588 H 1 UNL1111111 0.1776 18 H 3.4661 -0.4345 1.1681 H 1 UNL1111111 0.1845 19 H 2.2514 1.7900 1.2485 H 1 UNL1111111 0.2791 20 H 2.9959 2.2383 -0.2905 H 1 UNL1111111 0.2550 21 H 1.2370 2.2989 -0.1103 H 1 UNL1111111 0.2600 22 H -1.4143 -0.5286 1.4540 H 1 UNL1111111 0.0775 23 H -2.5985 1.5332 1.4685 H 1 UNL1111111 0.1749 24 H -1.9371 1.9793 -0.1038 H 1 UNL1111111 0.2190 25 H -4.6260 0.9812 0.4180 H 1 UNL1111111 0.1496 26 H -3.9193 1.3594 -1.1514 H 1 UNL1111111 0.1591 27 H -4.2299 -1.3303 0.1816 H 1 UNL1111111 0.1678 28 H -4.1356 -0.9603 -1.5405 H 1 UNL1111111 0.1525 29 H -1.7314 -0.9755 -1.5439 H 1 UNL1111111 0.1713 30 H -2.0080 -2.1381 -0.2437 H 1 UNL1111111 0.1264 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 9 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 5 19 1 20 5 20 1 21 5 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1