@MOLECULE [2-[(1S)-2,2-dimethylcyclopropyl]acetyl] 4,4-dimethylpentanoate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.6936 1.3134 -1.3056 C.3 1 UNL11111111 -0.9251 2 C -4.7976 0.4181 -0.0619 C.3 1 UNL11111111 0.7775 3 C -4.9818 1.2891 1.1895 C.3 1 UNL11111111 -0.9639 4 C -6.0206 -0.5059 -0.2142 C.3 1 UNL11111111 -1.0881 5 C -3.5457 -0.4774 0.0797 C.3 1 UNL11111111 -0.6047 6 C -2.2369 0.3109 0.1629 C.3 1 UNL11111111 -0.3454 7 C -1.0859 -0.6377 0.2945 C.2 1 UNL11111111 0.4123 8 O -1.0693 -1.7693 0.6717 O.2 1 UNL11111111 -0.2923 9 O 0.0679 0.0459 -0.0345 O.3 1 UNL11111111 -0.4356 10 C 1.2400 -0.5839 -0.3947 C.2 1 UNL11111111 0.5406 11 O 1.2640 -1.7095 -0.7894 O.2 1 UNL11111111 -0.3190 12 C 2.3518 0.4171 -0.2896 C.3 1 UNL11111111 -0.6605 13 C 3.6671 -0.2934 -0.1011 C.3 1 UNL11111111 -0.1791 14 H 3.7286 -1.2250 -0.6848 H 1 UNL11111111 0.2226 15 C 4.3589 -0.2643 1.2453 C.3 1 UNL11111111 -0.6489 16 C 4.9584 0.5019 0.0817 C.3 1 UNL11111111 0.4401 17 C 6.2052 -0.0444 -0.5686 C.3 1 UNL11111111 -1.0141 18 C 4.9222 2.0083 0.1009 C.3 1 UNL11111111 -0.9228 19 H -3.9173 2.0766 -1.1951 H 1 UNL11111111 0.2364 20 H -4.4628 0.7276 -2.2018 H 1 UNL11111111 0.2555 21 H -5.6358 1.8397 -1.4929 H 1 UNL11111111 0.2464 22 H -5.8967 1.8876 1.1239 H 1 UNL11111111 0.2572 23 H -5.0555 0.6766 2.0943 H 1 UNL11111111 0.2624 24 H -4.1503 1.9868 1.3264 H 1 UNL11111111 0.2464 25 H -5.9510 -1.1161 -1.1208 H 1 UNL11111111 0.2824 26 H -6.1185 -1.1870 0.6375 H 1 UNL11111111 0.2832 27 H -6.9488 0.0706 -0.2794 H 1 UNL11111111 0.2910 28 H -3.6519 -1.1179 0.9799 H 1 UNL11111111 0.2240 29 H -3.5017 -1.1827 -0.7745 H 1 UNL11111111 0.2229 30 H -2.1051 0.9600 -0.7294 H 1 UNL11111111 0.2132 31 H -2.2435 1.0040 1.0319 H 1 UNL11111111 0.2208 32 H 2.3745 1.0343 -1.2172 H 1 UNL11111111 0.2767 33 H 2.1497 1.1368 0.5343 H 1 UNL11111111 0.3168 34 H 3.9126 0.2743 2.0744 H 1 UNL11111111 0.2619 35 H 4.8479 -1.1611 1.6141 H 1 UNL11111111 0.2466 36 H 6.2212 -1.1415 -0.5872 H 1 UNL11111111 0.2906 37 H 6.2944 0.2988 -1.6074 H 1 UNL11111111 0.2823 38 H 7.1062 0.2819 -0.0337 H 1 UNL11111111 0.2930 39 H 5.8178 2.4157 0.5895 H 1 UNL11111111 0.2758 40 H 4.8893 2.4175 -0.9172 H 1 UNL11111111 0.2719 41 H 4.0566 2.4048 0.6436 H 1 UNL11111111 0.2491 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 13 16 1 17 16 17 1 18 16 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 4 27 1 28 5 28 1 29 5 29 1 30 6 30 1 31 6 31 1 32 12 32 1 33 12 33 1 34 15 34 1 35 15 35 1 36 17 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 18 41 1