@MOLECULE 3-methylbutanoyl cyclobutanecarboxylate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9838 -1.2993 0.2718 C.3 1 UNL11111111 -0.4725 2 C -4.3149 -0.5097 0.3738 C.3 1 UNL11111111 -0.1190 3 C -3.7673 0.5464 -0.6215 C.3 1 UNL11111111 -0.5382 4 C -2.4374 -0.2481 -0.7383 C.3 1 UNL11111111 0.0646 5 C -1.2489 0.4955 -0.2277 C.2 1 UNL11111111 0.2901 6 O -1.1609 1.6213 0.1605 O.2 1 UNL11111111 -0.2821 7 O -0.1418 -0.3208 -0.3415 O.3 1 UNL11111111 -0.4326 8 C 0.9744 -0.1684 0.4540 C.2 1 UNL11111111 0.5518 9 O 0.9126 0.3583 1.5241 O.2 1 UNL11111111 -0.2951 10 C 2.1305 -0.8454 -0.2102 C.3 1 UNL11111111 -0.7177 11 C 3.4424 -0.1138 0.1359 C.3 1 UNL11111111 0.2772 12 C 4.6323 -0.9482 -0.3475 C.3 1 UNL11111111 -0.9822 13 C 3.4652 1.2742 -0.5093 C.3 1 UNL11111111 -0.8271 14 H -2.4227 -1.3697 1.2087 H 1 UNL11111111 0.2198 15 H -3.0766 -2.3070 -0.1408 H 1 UNL11111111 0.1769 16 H -5.1948 -1.0528 0.0222 H 1 UNL11111111 0.1193 17 H -4.5339 -0.1185 1.3713 H 1 UNL11111111 0.1331 18 H -4.3253 0.6289 -1.5567 H 1 UNL11111111 0.1961 19 H -3.6585 1.5537 -0.2006 H 1 UNL11111111 0.2206 20 H -2.2405 -0.6604 -1.7446 H 1 UNL11111111 0.1682 21 H 2.1722 -1.9028 0.1287 H 1 UNL11111111 0.2807 22 H 1.9893 -0.8938 -1.3106 H 1 UNL11111111 0.3082 23 H 3.5059 0.0033 1.2483 H 1 UNL11111111 0.1338 24 H 4.6170 -1.0841 -1.4343 H 1 UNL11111111 0.2796 25 H 5.5818 -0.4615 -0.0946 H 1 UNL11111111 0.2788 26 H 4.6443 -1.9423 0.1119 H 1 UNL11111111 0.2641 27 H 2.6441 1.9018 -0.1367 H 1 UNL11111111 0.2001 28 H 4.3992 1.8011 -0.2831 H 1 UNL11111111 0.2486 29 H 3.3731 1.2215 -1.5991 H 1 UNL11111111 0.2550 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1