@MOLECULE (1-methylcyclobutyl) 3,3-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9330 -0.4596 0.2872 C.3 1 UNL11111111 -0.4327 2 C 3.5126 -0.8403 0.7022 C.3 1 UNL11111111 -0.2785 3 C 2.4086 -0.0363 -0.0345 C.3 1 UNL11111111 0.1407 4 C 2.5046 1.4507 0.3244 C.3 1 UNL11111111 -0.4724 5 C 2.5251 -0.2246 -1.5503 C.3 1 UNL11111111 -0.4714 6 C 1.0533 -0.6067 0.4607 C.3 1 UNL11111111 -0.3895 7 C -0.1459 0.1101 -0.0808 C.2 1 UNL11111111 0.6364 8 O -0.2299 0.9099 -0.9753 O.2 1 UNL11111111 -0.5190 9 O -1.2318 -0.3134 0.6191 O.3 1 UNL11111111 -0.4778 10 C -2.5125 0.2144 0.3076 C.3 1 UNL11111111 0.3226 11 C -2.6014 1.6581 0.7341 C.3 1 UNL11111111 -0.5007 12 C -2.9977 -0.1471 -1.1235 C.3 1 UNL11111111 -0.3266 13 C -4.0396 -1.1228 -0.5165 C.3 1 UNL11111111 -0.2705 14 C -3.5393 -0.7883 0.9139 C.3 1 UNL11111111 -0.3187 15 H 5.6743 -1.0099 0.8774 H 1 UNL11111111 0.1366 16 H 5.1210 -0.6880 -0.7678 H 1 UNL11111111 0.1441 17 H 5.1268 0.6088 0.4342 H 1 UNL11111111 0.1443 18 H 3.3604 -1.9217 0.5220 H 1 UNL11111111 0.1341 19 H 3.4015 -0.6936 1.7939 H 1 UNL11111111 0.1344 20 H 3.4642 1.8755 0.0108 H 1 UNL11111111 0.1484 21 H 1.7221 2.0337 -0.1813 H 1 UNL11111111 0.1666 22 H 2.4035 1.6172 1.4007 H 1 UNL11111111 0.1416 23 H 2.4939 -1.2801 -1.8342 H 1 UNL11111111 0.1411 24 H 1.7083 0.2883 -2.0789 H 1 UNL11111111 0.1713 25 H 3.4601 0.1963 -1.9346 H 1 UNL11111111 0.1475 26 H 0.9746 -1.6812 0.1868 H 1 UNL11111111 0.1779 27 H 1.0192 -0.5855 1.5718 H 1 UNL11111111 0.1786 28 H -1.9671 2.2957 0.0984 H 1 UNL11111111 0.1775 29 H -3.6264 2.0391 0.6627 H 1 UNL11111111 0.1585 30 H -2.2655 1.7892 1.7706 H 1 UNL11111111 0.1604 31 H -3.4144 0.6900 -1.6869 H 1 UNL11111111 0.1525 32 H -2.2348 -0.6195 -1.7484 H 1 UNL11111111 0.1592 33 H -5.0796 -0.8484 -0.7060 H 1 UNL11111111 0.1386 34 H -3.9038 -2.1666 -0.8089 H 1 UNL11111111 0.1410 35 H -3.0749 -1.6271 1.4414 H 1 UNL11111111 0.1580 36 H -4.2804 -0.3372 1.5739 H 1 UNL11111111 0.1459 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 13 14 1 14 10 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 11 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1