@MOLECULE (2-cyclobutylacetyl) butanoate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.4481 -1.0817 0.2641 C.3 1 UNL11111111 -1.0064 2 C 4.3485 -0.0250 0.1996 C.3 1 UNL11111111 -0.0696 3 C 2.9719 -0.6852 0.0724 C.3 1 UNL11111111 -0.2320 4 C 1.9111 0.3604 -0.0942 C.2 1 UNL11111111 0.3388 5 O 2.0254 1.5402 -0.2240 O.2 1 UNL11111111 -0.3404 6 O 0.6956 -0.2896 -0.1057 O.3 1 UNL11111111 -0.3599 7 C -0.5287 0.3439 -0.1723 C.2 1 UNL11111111 0.5824 8 O -0.6550 1.5275 -0.1178 O.2 1 UNL11111111 -0.3279 9 C -1.5704 -0.7280 -0.2885 C.3 1 UNL11111111 -1.1399 10 C -2.9400 -0.1094 -0.5133 C.3 1 UNL11111111 0.5189 11 C -4.1117 -1.1350 -0.5033 C.3 1 UNL11111111 -0.3745 12 C -4.7346 -0.4139 0.7211 C.3 1 UNL11111111 -0.4473 13 C -3.5597 0.5965 0.7286 C.3 1 UNL11111111 -0.5704 14 H 6.4358 -0.6171 0.3728 H 1 UNL11111111 0.2807 15 H 5.3114 -1.7580 1.1152 H 1 UNL11111111 0.2585 16 H 5.4756 -1.6941 -0.6443 H 1 UNL11111111 0.3028 17 H 4.3804 0.6204 1.1005 H 1 UNL11111111 0.1951 18 H 4.5238 0.6603 -0.6551 H 1 UNL11111111 0.0997 19 H 2.9472 -1.3833 -0.7922 H 1 UNL11111111 0.1443 20 H 2.7526 -1.3177 0.9587 H 1 UNL11111111 0.1948 21 H -1.3144 -1.4245 -1.1169 H 1 UNL11111111 0.3267 22 H -1.5598 -1.3584 0.6281 H 1 UNL11111111 0.4172 23 H -2.9367 0.5351 -1.4103 H 1 UNL11111111 0.0086 24 H -4.7300 -1.1156 -1.4035 H 1 UNL11111111 0.1496 25 H -3.8180 -2.1694 -0.3177 H 1 UNL11111111 0.1616 26 H -5.7141 0.0311 0.5334 H 1 UNL11111111 0.2130 27 H -4.8102 -1.0285 1.6200 H 1 UNL11111111 0.1850 28 H -2.9395 0.5719 1.6267 H 1 UNL11111111 0.2849 29 H -3.8452 1.6372 0.5530 H 1 UNL11111111 0.2056 @BOND 1 1 2 1 2 2 3 1 3 3 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 11 12 1 12 12 13 1 13 10 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1