@MOLECULE [2-(1-methylcyclobutyl)acetyl] (2R)-2-methylpentanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5848 0.5737 -0.2930 C.3 1 UNL11111111 -0.1603 2 H -2.4587 0.4477 -1.3992 H 1 UNL11111111 0.1713 3 C -2.7468 2.0587 0.0326 C.3 1 UNL11111111 -0.4387 4 C -3.7766 -0.2676 0.1896 C.3 1 UNL11111111 -0.2756 5 C -4.9872 -0.1030 -0.7365 C.3 1 UNL11111111 -0.2447 6 C -6.1514 -0.9700 -0.2569 C.3 1 UNL11111111 -0.4391 7 C -1.3444 0.0810 0.4130 C.2 1 UNL11111111 0.6294 8 O -1.2240 -0.3633 1.5147 O.2 1 UNL11111111 -0.4401 9 O -0.2554 0.2945 -0.4038 O.3 1 UNL11111111 -0.5617 10 C 0.9121 -0.4329 -0.2807 C.2 1 UNL11111111 0.6506 11 O 0.9043 -1.5517 0.1364 O.2 1 UNL11111111 -0.4360 12 C 2.0399 0.3729 -0.8430 C.3 1 UNL11111111 -0.3782 13 C 3.2697 0.2866 0.0626 C.3 1 UNL11111111 0.0983 14 C 2.9889 0.8528 1.4407 C.3 1 UNL11111111 -0.4710 15 C 3.9449 -1.1212 0.0759 C.3 1 UNL11111111 -0.2916 16 C 5.1970 -0.5349 -0.6225 C.3 1 UNL11111111 -0.2747 17 C 4.5482 0.8731 -0.6216 C.3 1 UNL11111111 -0.3042 18 H -2.8488 2.2312 1.1121 H 1 UNL11111111 0.1578 19 H -1.8866 2.6430 -0.3194 H 1 UNL11111111 0.1554 20 H -3.6424 2.4721 -0.4474 H 1 UNL11111111 0.1540 21 H -3.4900 -1.3381 0.2423 H 1 UNL11111111 0.1539 22 H -4.0440 0.0103 1.2283 H 1 UNL11111111 0.1565 23 H -5.2983 0.9581 -0.7756 H 1 UNL11111111 0.1336 24 H -4.7152 -0.3785 -1.7736 H 1 UNL11111111 0.1344 25 H -7.0151 -0.8811 -0.9248 H 1 UNL11111111 0.1394 26 H -5.8741 -2.0302 -0.2185 H 1 UNL11111111 0.1472 27 H -6.4816 -0.6799 0.7471 H 1 UNL11111111 0.1445 28 H 2.2787 -0.0064 -1.8611 H 1 UNL11111111 0.1817 29 H 1.7442 1.4354 -0.9830 H 1 UNL11111111 0.1824 30 H 2.2221 0.2662 1.9674 H 1 UNL11111111 0.1646 31 H 3.8863 0.8392 2.0722 H 1 UNL11111111 0.1550 32 H 2.6378 1.8896 1.3934 H 1 UNL11111111 0.1490 33 H 4.1248 -1.5225 1.0765 H 1 UNL11111111 0.1498 34 H 3.4110 -1.8886 -0.4907 H 1 UNL11111111 0.1535 35 H 6.1177 -0.6095 -0.0396 H 1 UNL11111111 0.1372 36 H 5.3931 -0.9419 -1.6169 H 1 UNL11111111 0.1363 37 H 4.3871 1.3019 -1.6111 H 1 UNL11111111 0.1368 38 H 5.0771 1.6142 -0.0187 H 1 UNL11111111 0.1434 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 16 17 1 17 13 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 6 27 1 28 12 28 1 29 12 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1