@MOLECULE [(2S)-2-methylpentanoyl] (1S,2R)-2-methylcyclobutanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2303 -1.0324 0.1442 C.3 1 UNL11111111 0.5237 2 H -3.3133 -1.9298 0.7826 H 1 UNL11111111 0.0593 3 C -2.6421 -1.3882 -1.2032 C.3 1 UNL11111111 -1.6154 4 C -4.5501 -0.2068 0.0867 C.3 1 UNL11111111 -0.3309 5 C -3.8611 0.9633 0.8316 C.3 1 UNL11111111 -0.3922 6 C -2.5391 0.1532 0.9072 C.3 1 UNL11111111 -0.3911 7 H -2.2345 -0.1187 1.9346 H 1 UNL11111111 0.2285 8 C -1.4075 0.7811 0.1685 C.2 1 UNL11111111 0.4987 9 O -1.3893 1.7563 -0.5207 O.2 1 UNL11111111 -0.4649 10 O -0.2498 0.0896 0.4722 O.3 1 UNL11111111 -0.4669 11 C 0.8415 0.0664 -0.3656 C.2 1 UNL11111111 0.4470 12 O 0.7524 0.3122 -1.5309 O.2 1 UNL11111111 -0.3452 13 C 2.0425 -0.3932 0.4275 C.3 1 UNL11111111 0.2103 14 H 1.9657 -0.0070 1.4763 H 1 UNL11111111 0.1370 15 C 2.0228 -1.9224 0.4458 C.3 1 UNL11111111 -0.6442 16 C 3.3058 0.1706 -0.2402 C.3 1 UNL11111111 -0.7804 17 C 4.5292 0.0380 0.6739 C.3 1 UNL11111111 0.0932 18 C 5.7752 0.5950 -0.0146 C.3 1 UNL11111111 -0.7745 19 H -2.5605 -0.5151 -1.8672 H 1 UNL11111111 0.5588 20 H -1.6332 -1.8108 -1.1057 H 1 UNL11111111 0.5067 21 H -3.2610 -2.1294 -1.7240 H 1 UNL11111111 0.3456 22 H -4.8854 0.0380 -0.9251 H 1 UNL11111111 0.1820 23 H -5.3893 -0.6583 0.6188 H 1 UNL11111111 0.1046 24 H -3.7903 1.8901 0.2480 H 1 UNL11111111 0.2150 25 H -4.2942 1.2089 1.8039 H 1 UNL11111111 0.1790 26 H 2.8634 -2.3212 1.0263 H 1 UNL11111111 0.1807 27 H 1.0998 -2.3057 0.9006 H 1 UNL11111111 0.1661 28 H 2.0981 -2.3436 -0.5648 H 1 UNL11111111 0.2369 29 H 3.4880 -0.3427 -1.2051 H 1 UNL11111111 0.3094 30 H 3.1518 1.2368 -0.5052 H 1 UNL11111111 0.1831 31 H 4.3541 0.5735 1.6267 H 1 UNL11111111 0.0899 32 H 4.6920 -1.0218 0.9464 H 1 UNL11111111 0.0913 33 H 6.0035 0.0486 -0.9367 H 1 UNL11111111 0.2153 34 H 5.6493 1.6511 -0.2808 H 1 UNL11111111 0.2568 35 H 6.6539 0.5234 0.6355 H 1 UNL11111111 0.1868 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 16 17 1 18 17 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 15 26 1 27 15 27 1 28 15 28 1 29 16 29 1 30 16 30 1 31 17 31 1 32 17 32 1 33 18 33 1 34 18 34 1 35 18 35 1