@MOLECULE 2,2-dimethyl-1-[(1S,2S)-2-methylcyclopropyl]pentan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4969 -0.6528 0.4201 C.3 1 UNL11111111 -0.4409 2 C 3.3488 0.3014 0.0857 C.3 1 UNL11111111 -0.2454 3 C 2.0069 -0.4352 0.1573 C.3 1 UNL11111111 -0.2788 4 C 0.7845 0.4497 -0.1629 C.3 1 UNL11111111 -0.0030 5 C 0.6484 1.5850 0.8570 C.3 1 UNL11111111 -0.4541 6 C 0.8662 0.9985 -1.5907 C.3 1 UNL11111111 -0.4538 7 C -0.4665 -0.4335 -0.0599 C.2 1 UNL11111111 0.4625 8 O -0.3773 -1.5970 0.2519 O.2 1 UNL11111111 -0.4718 9 C -1.7945 0.1742 -0.3490 C.3 1 UNL11111111 -0.3187 10 H -1.7688 1.2345 -0.6110 H 1 UNL11111111 0.1707 11 C -2.8403 -0.7080 -1.0097 C.3 1 UNL11111111 -0.2980 12 C -2.9931 -0.3469 0.4438 C.3 1 UNL11111111 -0.0840 13 H -2.7961 -1.1312 1.1900 H 1 UNL11111111 0.1696 14 C -4.0584 0.6233 0.8715 C.3 1 UNL11111111 -0.4420 15 H 4.3903 -1.0699 1.4279 H 1 UNL11111111 0.1446 16 H 4.5344 -1.4944 -0.2809 H 1 UNL11111111 0.1446 17 H 5.4641 -0.1416 0.3746 H 1 UNL11111111 0.1377 18 H 3.3562 1.1568 0.7864 H 1 UNL11111111 0.1317 19 H 3.4999 0.7291 -0.9227 H 1 UNL11111111 0.1318 20 H 2.0191 -1.3012 -0.5354 H 1 UNL11111111 0.1530 21 H 1.8785 -0.8810 1.1646 H 1 UNL11111111 0.1534 22 H 1.5078 2.2646 0.8078 H 1 UNL11111111 0.1551 23 H -0.2489 2.1891 0.6856 H 1 UNL11111111 0.1457 24 H 0.5977 1.1967 1.8817 H 1 UNL11111111 0.1534 25 H 0.9709 0.1889 -2.3234 H 1 UNL11111111 0.1536 26 H -0.0209 1.5801 -1.8627 H 1 UNL11111111 0.1457 27 H 1.7321 1.6609 -1.7098 H 1 UNL11111111 0.1547 28 H -3.5023 -0.2800 -1.7558 H 1 UNL11111111 0.1560 29 H -2.5705 -1.7295 -1.2793 H 1 UNL11111111 0.1721 30 H -5.0032 0.1021 1.0798 H 1 UNL11111111 0.1545 31 H -3.7669 1.1535 1.7882 H 1 UNL11111111 0.1523 32 H -4.2701 1.3826 0.1090 H 1 UNL11111111 0.1477 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 12 13 1 13 9 12 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 5 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 6 27 1 28 11 28 1 29 11 29 1 30 14 30 1 31 14 31 1 32 14 32 1