@MOLECULE [2-[(1R,2R)-2-methylcyclobutyl]acetyl] propanoate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0185 0.5150 0.2549 C.3 1 UNL11111111 -0.7809 2 C 3.6028 1.0749 0.2025 C.3 1 UNL11111111 -0.2938 3 C 2.6087 -0.0466 0.1783 C.2 1 UNL11111111 0.4456 4 O 2.7682 -1.2124 0.3743 O.2 1 UNL11111111 -0.2778 5 O 1.3590 0.4960 -0.0440 O.3 1 UNL11111111 -0.4703 6 C 0.2878 -0.2485 -0.4974 C.2 1 UNL11111111 0.4672 7 O 0.4344 -1.2858 -1.0680 O.2 1 UNL11111111 -0.3327 8 C -0.9598 0.5322 -0.2218 C.3 1 UNL11111111 -0.5048 9 C -2.1884 -0.3280 -0.4593 C.3 1 UNL11111111 -0.0500 10 H -2.0959 -0.8758 -1.4167 H 1 UNL11111111 0.1431 11 C -3.5752 0.3939 -0.3321 C.3 1 UNL11111111 0.0943 12 H -4.2067 0.2038 -1.2189 H 1 UNL11111111 0.1370 13 C -3.5682 1.8724 -0.0058 C.3 1 UNL11111111 -0.9794 14 C -3.9384 -0.5373 0.8624 C.3 1 UNL11111111 -0.5576 15 C -2.5770 -1.2610 0.7241 C.3 1 UNL11111111 -0.3807 16 H 5.1595 -0.1479 1.1208 H 1 UNL11111111 0.2569 17 H 5.2514 -0.0817 -0.6379 H 1 UNL11111111 0.2292 18 H 5.7638 1.3156 0.3231 H 1 UNL11111111 0.2408 19 H 3.3996 1.7300 1.0779 H 1 UNL11111111 0.2212 20 H 3.4654 1.7278 -0.6868 H 1 UNL11111111 0.2057 21 H -0.9428 0.9334 0.8155 H 1 UNL11111111 0.2837 22 H -0.9797 1.4324 -0.8769 H 1 UNL11111111 0.2333 23 H -3.1703 2.4669 -0.8365 H 1 UNL11111111 0.2659 24 H -4.5859 2.2326 0.1935 H 1 UNL11111111 0.2853 25 H -2.9700 2.0989 0.8842 H 1 UNL11111111 0.2762 26 H -4.0799 -0.0193 1.8131 H 1 UNL11111111 0.2403 27 H -4.8124 -1.1683 0.6910 H 1 UNL11111111 0.2072 28 H -2.6464 -2.3180 0.4521 H 1 UNL11111111 0.1941 29 H -1.9299 -1.1867 1.6004 H 1 UNL11111111 0.2009 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 8 21 1 22 8 22 1 23 13 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 15 28 1 29 15 29 1