@MOLECULE 3-methylbutanoyl 3-methylcyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8048 1.1960 -0.7226 C.3 1 UNL11111111 -0.2792 2 C -4.1122 0.4955 -0.2422 C.3 1 UNL11111111 -0.0749 3 H -4.9173 1.2110 -0.0058 H 1 UNL11111111 0.1330 4 C -4.6114 -0.6004 -1.1595 C.3 1 UNL11111111 -0.4548 5 C -3.3632 -0.0093 1.0279 C.3 1 UNL11111111 -0.2811 6 C -2.0717 0.7175 0.5627 C.3 1 UNL11111111 -0.2051 7 H -1.7553 1.5428 1.2263 H 1 UNL11111111 0.1737 8 C -0.9458 -0.2176 0.2686 C.2 1 UNL11111111 0.6355 9 O -0.9737 -1.3574 -0.0879 O.2 1 UNL11111111 -0.4353 10 O 0.2398 0.4747 0.3906 O.3 1 UNL11111111 -0.5626 11 C 1.4569 -0.1543 0.5699 C.2 1 UNL11111111 0.6440 12 O 1.5359 -1.2362 1.0682 O.2 1 UNL11111111 -0.4336 13 C 2.5368 0.7859 0.1385 C.3 1 UNL11111111 -0.3687 14 C 3.8596 0.0280 -0.0848 C.3 1 UNL11111111 -0.0402 15 C 3.7520 -0.8902 -1.3050 C.3 1 UNL11111111 -0.4599 16 C 4.9982 1.0359 -0.2698 C.3 1 UNL11111111 -0.4574 17 H -2.3982 0.7998 -1.6577 H 1 UNL11111111 0.1545 18 H -2.8766 2.2812 -0.8194 H 1 UNL11111111 0.1445 19 H -3.8229 -1.3319 -1.3876 H 1 UNL11111111 0.1623 20 H -5.4427 -1.1538 -0.7062 H 1 UNL11111111 0.1482 21 H -4.9654 -0.1937 -2.1140 H 1 UNL11111111 0.1457 22 H -3.7681 0.3550 1.9740 H 1 UNL11111111 0.1441 23 H -3.2738 -1.1001 1.0934 H 1 UNL11111111 0.1662 24 H 2.2376 1.3289 -0.7831 H 1 UNL11111111 0.1820 25 H 2.6626 1.5746 0.9114 H 1 UNL11111111 0.1787 26 H 4.0716 -0.5989 0.8188 H 1 UNL11111111 0.1498 27 H 3.5287 -0.3325 -2.2197 H 1 UNL11111111 0.1442 28 H 4.6858 -1.4386 -1.4724 H 1 UNL11111111 0.1485 29 H 2.9610 -1.6407 -1.1694 H 1 UNL11111111 0.1607 30 H 5.1199 1.6753 0.6108 H 1 UNL11111111 0.1424 31 H 5.9534 0.5228 -0.4334 H 1 UNL11111111 0.1493 32 H 4.8279 1.6874 -1.1335 H 1 UNL11111111 0.1456 @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 2 13 11 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 1 17 1 18 1 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 15 27 1 28 15 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1