@MOLECULE isopentyl 3-methylcyclobutanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5878 -0.8787 -0.7501 C.3 1 UNL11111111 -0.2775 2 C -3.9003 -0.0655 -0.5364 C.3 1 UNL11111111 -0.0760 3 H -4.0664 0.6868 -1.3273 H 1 UNL11111111 0.1405 4 C -5.1423 -0.9045 -0.3215 C.3 1 UNL11111111 -0.4526 5 C -3.2941 0.5532 0.7586 C.3 1 UNL11111111 -0.2811 6 C -1.9891 -0.2601 0.5454 C.3 1 UNL11111111 -0.2052 7 H -1.7873 -1.0042 1.3371 H 1 UNL11111111 0.1712 8 C -0.7889 0.5900 0.2820 C.2 1 UNL11111111 0.5999 9 O -0.7473 1.7631 0.0122 O.2 1 UNL11111111 -0.5126 10 O 0.3324 -0.1657 0.3856 O.3 1 UNL11111111 -0.4405 11 C 1.5770 0.5073 0.1440 C.3 1 UNL11111111 -0.0096 12 C 2.6080 -0.6188 0.1392 C.3 1 UNL11111111 -0.3159 13 C 4.0395 -0.0562 0.1708 C.3 1 UNL11111111 -0.0541 14 C 5.0352 -1.2064 0.3678 C.3 1 UNL11111111 -0.4556 15 C 4.3655 0.6977 -1.1234 C.3 1 UNL11111111 -0.4560 16 H -2.7080 -1.9638 -0.7099 H 1 UNL11111111 0.1492 17 H -2.0495 -0.6328 -1.6690 H 1 UNL11111111 0.1483 18 H -4.9983 -1.6612 0.4585 H 1 UNL11111111 0.1475 19 H -5.9932 -0.2817 -0.0193 H 1 UNL11111111 0.1473 20 H -5.4295 -1.4329 -1.2388 H 1 UNL11111111 0.1463 21 H -3.1622 1.6407 0.7162 H 1 UNL11111111 0.1633 22 H -3.8290 0.3105 1.6787 H 1 UNL11111111 0.1459 23 H 1.5158 1.0419 -0.8196 H 1 UNL11111111 0.1374 24 H 1.7336 1.2348 0.9587 H 1 UNL11111111 0.1330 25 H 2.4375 -1.2778 1.0145 H 1 UNL11111111 0.1557 26 H 2.4629 -1.2666 -0.7453 H 1 UNL11111111 0.1521 27 H 4.1330 0.6478 1.0335 H 1 UNL11111111 0.1313 28 H 4.9910 -1.9212 -0.4609 H 1 UNL11111111 0.1457 29 H 6.0638 -0.8345 0.4256 H 1 UNL11111111 0.1440 30 H 4.8333 -1.7590 1.2915 H 1 UNL11111111 0.1427 31 H 5.3984 1.0631 -1.1195 H 1 UNL11111111 0.1442 32 H 4.2491 0.0549 -2.0027 H 1 UNL11111111 0.1463 33 H 3.7133 1.5667 -1.2607 H 1 UNL11111111 0.1449 @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 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1