@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] 3-methylbutanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9921 0.2360 -0.0324 C.3 1 UNL11111111 0.5726 2 C 3.9745 -0.7485 -1.2046 C.3 1 UNL11111111 -0.9761 3 C 5.0550 1.3162 -0.2549 C.3 1 UNL11111111 -1.1846 4 C 2.6123 0.9024 0.1306 C.3 1 UNL11111111 -0.5696 5 C 1.5970 -0.1027 0.5738 C.2 1 UNL11111111 0.3644 6 O 1.7381 -1.0958 1.2211 O.2 1 UNL11111111 -0.3859 7 O 0.3501 0.3436 0.1863 O.3 1 UNL11111111 -0.3455 8 C -0.7529 -0.4855 0.1157 C.2 1 UNL11111111 0.5581 9 O -0.6508 -1.6641 -0.0328 O.2 1 UNL11111111 -0.2826 10 C -1.9745 0.3798 0.1873 C.3 1 UNL11111111 -0.8389 11 C -3.2226 -0.4624 0.1413 C.3 1 UNL11111111 0.0847 12 H -3.1310 -1.3809 0.7402 H 1 UNL11111111 0.1020 13 C -4.0472 -0.5341 -1.1267 C.3 1 UNL11111111 -0.4977 14 C -4.5932 0.1984 0.0793 C.3 1 UNL11111111 -0.1157 15 H -5.4013 -0.2834 0.6453 H 1 UNL11111111 0.1922 16 C -4.7338 1.6954 0.0550 C.3 1 UNL11111111 -0.8268 17 H 4.2334 -0.3259 0.9060 H 1 UNL11111111 0.0702 18 H 4.9522 -1.2258 -1.3361 H 1 UNL11111111 0.2344 19 H 3.2449 -1.5531 -1.0388 H 1 UNL11111111 0.3304 20 H 3.7185 -0.2572 -2.1488 H 1 UNL11111111 0.2655 21 H 4.8552 1.9016 -1.1588 H 1 UNL11111111 0.3218 22 H 5.1083 2.0127 0.5886 H 1 UNL11111111 0.2887 23 H 6.0498 0.8698 -0.3709 H 1 UNL11111111 0.3209 24 H 2.6604 1.7219 0.8794 H 1 UNL11111111 0.2247 25 H 2.3006 1.3904 -0.8170 H 1 UNL11111111 0.2392 26 H -1.9514 0.9860 1.1226 H 1 UNL11111111 0.2980 27 H -1.9483 1.1278 -0.6368 H 1 UNL11111111 0.3658 28 H -3.7417 0.0229 -2.0063 H 1 UNL11111111 0.2444 29 H -4.4814 -1.4835 -1.4274 H 1 UNL11111111 0.1916 30 H -5.7422 1.9890 -0.2677 H 1 UNL11111111 0.2586 31 H -4.5705 2.1252 1.0525 H 1 UNL11111111 0.2510 32 H -4.0279 2.1782 -0.6311 H 1 UNL11111111 0.2441 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 14 15 1 15 11 14 1 16 14 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 10 26 1 27 10 27 1 28 13 28 1 29 13 29 1 30 16 30 1 31 16 31 1 32 16 32 1