@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] 2-methylpropanoate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.0086 -0.8202 0.4210 C.3 1 UNL11111111 0.3727 2 C 3.3796 -1.6596 -0.8027 C.3 1 UNL11111111 -1.2078 3 C 4.2416 -0.2112 1.0844 C.3 1 UNL11111111 -0.8737 4 C 2.1087 0.3023 -0.0489 C.2 1 UNL11111111 0.3656 5 O 2.3995 1.3830 -0.4586 O.2 1 UNL11111111 -0.3284 6 O 0.8101 -0.1526 0.0239 O.3 1 UNL11111111 -0.3759 7 C -0.3019 0.6243 -0.2248 C.2 1 UNL11111111 0.4034 8 O -0.2592 1.8108 -0.3288 O.2 1 UNL11111111 -0.2632 9 C -1.4791 -0.3040 -0.3041 C.3 1 UNL11111111 -0.7150 10 C -2.7641 0.4799 -0.2457 C.3 1 UNL11111111 0.1169 11 H -2.7363 1.3768 -0.8831 H 1 UNL11111111 0.0999 12 C -3.5437 0.5654 1.0496 C.3 1 UNL11111111 -0.4202 13 C -4.0990 -0.2390 -0.1056 C.3 1 UNL11111111 -0.2088 14 H -4.9484 0.1834 -0.6584 H 1 UNL11111111 0.2096 15 C -4.1692 -1.7390 -0.0199 C.3 1 UNL11111111 -0.8043 16 H 2.4601 -1.4606 1.1587 H 1 UNL11111111 0.1067 17 H 3.9182 -1.0681 -1.5547 H 1 UNL11111111 0.3197 18 H 4.0289 -2.4978 -0.5230 H 1 UNL11111111 0.3498 19 H 2.4892 -2.0817 -1.2859 H 1 UNL11111111 0.3274 20 H 4.7761 0.4644 0.4006 H 1 UNL11111111 0.2792 21 H 3.9776 0.3762 1.9728 H 1 UNL11111111 0.2582 22 H 4.9479 -0.9881 1.3988 H 1 UNL11111111 0.2331 23 H -1.4243 -0.8894 -1.2506 H 1 UNL11111111 0.2742 24 H -1.4203 -1.0644 0.5060 H 1 UNL11111111 0.3414 25 H -3.1795 0.0583 1.9371 H 1 UNL11111111 0.2246 26 H -4.0112 1.5050 1.3304 H 1 UNL11111111 0.1708 27 H -5.1570 -2.0665 0.3329 H 1 UNL11111111 0.2618 28 H -4.0030 -2.1996 -1.0030 H 1 UNL11111111 0.2468 29 H -3.4299 -2.1607 0.6712 H 1 UNL11111111 0.2356 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 13 14 1 14 10 13 1 15 13 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 9 23 1 24 9 24 1 25 12 25 1 26 12 26 1 27 15 27 1 28 15 28 1 29 15 29 1