@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] cyclohexanecarboxylate 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3798 -1.0317 0.7528 C.3 1 UNL11111111 -0.6879 2 C -3.5353 -1.9674 0.3792 C.3 1 UNL11111111 -0.2980 3 C -4.8278 -1.1710 0.1578 C.3 1 UNL11111111 -0.3156 4 C -4.6300 -0.1012 -0.9242 C.3 1 UNL11111111 -0.4381 5 C -3.4764 0.8380 -0.5545 C.3 1 UNL11111111 -0.4344 6 C -2.1889 0.0285 -0.3454 C.3 1 UNL11111111 0.1438 7 C -1.0797 0.9589 0.0795 C.2 1 UNL11111111 0.2915 8 O -1.1479 2.0689 0.5094 O.2 1 UNL11111111 -0.3070 9 O 0.1083 0.2785 -0.0711 O.3 1 UNL11111111 -0.4161 10 C 1.3552 0.8192 0.1666 C.2 1 UNL11111111 0.5196 11 O 1.5420 1.9835 0.3369 O.2 1 UNL11111111 -0.2798 12 C 2.3333 -0.3198 0.1412 C.3 1 UNL11111111 -0.7825 13 C 3.7421 0.1945 0.2798 C.3 1 UNL11111111 0.0237 14 H 3.8238 0.9957 1.0298 H 1 UNL11111111 0.1327 15 C 4.6476 0.2787 -0.9309 C.3 1 UNL11111111 -0.4790 16 C 4.9243 -0.7547 0.1392 C.3 1 UNL11111111 -0.1419 17 H 5.7784 -0.5826 0.8070 H 1 UNL11111111 0.2002 18 C 4.7182 -2.2155 -0.1533 C.3 1 UNL11111111 -0.8117 19 H -2.5890 -0.5439 1.7245 H 1 UNL11111111 0.2681 20 H -1.4465 -1.6104 0.8898 H 1 UNL11111111 0.2603 21 H -3.2810 -2.5389 -0.5328 H 1 UNL11111111 0.1883 22 H -3.6852 -2.7187 1.1762 H 1 UNL11111111 0.1647 23 H -5.6483 -1.8535 -0.1287 H 1 UNL11111111 0.1436 24 H -5.1437 -0.6951 1.1051 H 1 UNL11111111 0.2049 25 H -4.4318 -0.5825 -1.8998 H 1 UNL11111111 0.2090 26 H -5.5612 0.4806 -1.0564 H 1 UNL11111111 0.1887 27 H -3.3301 1.5997 -1.3436 H 1 UNL11111111 0.2020 28 H -3.7241 1.4059 0.3649 H 1 UNL11111111 0.2209 29 H -1.9047 -0.4793 -1.3015 H 1 UNL11111111 0.1858 30 H 2.0987 -1.0311 0.9661 H 1 UNL11111111 0.3002 31 H 2.1969 -0.9105 -0.7920 H 1 UNL11111111 0.3616 32 H 4.2841 -0.0341 -1.9043 H 1 UNL11111111 0.2435 33 H 5.3089 1.1331 -1.0447 H 1 UNL11111111 0.1924 34 H 5.6526 -2.6828 -0.4932 H 1 UNL11111111 0.2597 35 H 4.3884 -2.7565 0.7434 H 1 UNL11111111 0.2489 36 H 3.9728 -2.3908 -0.9379 H 1 UNL11111111 0.2378 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 15 16 1 17 16 17 1 18 13 16 1 19 16 18 1 20 1 19 1 21 1 20 1 22 2 21 1 23 2 22 1 24 3 23 1 25 3 24 1 26 4 25 1 27 4 26 1 28 5 27 1 29 5 28 1 30 6 29 1 31 12 30 1 32 12 31 1 33 15 32 1 34 15 33 1 35 18 34 1 36 18 35 1 37 18 36 1