@MOLECULE 3,3-dimethylhexanoyl (1S,2S)-2-methylcyclobutanecarboxylate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6130 -0.0960 0.1976 C.3 1 UNL11111111 -0.0675 2 H 4.7031 0.9435 -0.1742 H 1 UNL11111111 0.1602 3 C 5.4253 -0.2888 1.4595 C.3 1 UNL11111111 -0.4548 4 C 4.8544 -1.1560 -0.9181 C.3 1 UNL11111111 -0.2938 5 C 3.3685 -1.5881 -0.8390 C.3 1 UNL11111111 -0.2559 6 C 3.1258 -0.5678 0.3086 C.3 1 UNL11111111 -0.2256 7 H 2.8764 -1.0420 1.2747 H 1 UNL11111111 0.1753 8 C 2.1327 0.4921 -0.0405 C.2 1 UNL11111111 0.6256 9 O 2.3233 1.6087 -0.4169 O.2 1 UNL11111111 -0.4270 10 O 0.8777 -0.0472 0.1207 O.3 1 UNL11111111 -0.5610 11 C -0.3049 0.6536 -0.0409 C.2 1 UNL11111111 0.6442 12 O -0.3290 1.8332 -0.2109 O.2 1 UNL11111111 -0.4261 13 C -1.4054 -0.3552 0.0658 C.3 1 UNL11111111 -0.3833 14 C -2.8294 0.2589 -0.0016 C.3 1 UNL11111111 0.1328 15 C -3.0171 1.2516 1.1503 C.3 1 UNL11111111 -0.4733 16 C -3.0241 0.9644 -1.3475 C.3 1 UNL11111111 -0.4733 17 C -3.8169 -0.9280 0.1378 C.3 1 UNL11111111 -0.3009 18 C -5.2930 -0.5134 0.0935 C.3 1 UNL11111111 -0.2433 19 C -6.1989 -1.7367 0.2421 C.3 1 UNL11111111 -0.4450 20 H 6.4893 -0.0891 1.2777 H 1 UNL11111111 0.1515 21 H 5.0967 0.3944 2.2536 H 1 UNL11111111 0.1530 22 H 5.3491 -1.3098 1.8514 H 1 UNL11111111 0.1466 23 H 5.1557 -0.7347 -1.8801 H 1 UNL11111111 0.1458 24 H 5.5689 -1.9384 -0.6541 H 1 UNL11111111 0.1432 25 H 2.7906 -1.4000 -1.7487 H 1 UNL11111111 0.1491 26 H 3.2082 -2.6298 -0.5497 H 1 UNL11111111 0.1448 27 H -1.2813 -1.1096 -0.7419 H 1 UNL11111111 0.1797 28 H -1.2854 -0.9245 1.0140 H 1 UNL11111111 0.1807 29 H -2.2970 2.0798 1.0882 H 1 UNL11111111 0.1693 30 H -4.0141 1.7052 1.1299 H 1 UNL11111111 0.1497 31 H -2.8921 0.7725 2.1257 H 1 UNL11111111 0.1428 32 H -2.9136 0.2747 -2.1893 H 1 UNL11111111 0.1429 33 H -4.0175 1.4203 -1.4212 H 1 UNL11111111 0.1494 34 H -2.2973 1.7783 -1.4830 H 1 UNL11111111 0.1710 35 H -3.6241 -1.6620 -0.6675 H 1 UNL11111111 0.1371 36 H -3.6198 -1.4594 1.0881 H 1 UNL11111111 0.1369 37 H -5.5120 0.2145 0.8975 H 1 UNL11111111 0.1367 38 H -5.5175 0.0056 -0.8574 H 1 UNL11111111 0.1369 39 H -7.2565 -1.4521 0.2084 H 1 UNL11111111 0.1419 40 H -6.0285 -2.4626 -0.5605 H 1 UNL11111111 0.1420 41 H -6.0273 -2.2503 1.1943 H 1 UNL11111111 0.1419 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 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 14 17 1 18 17 18 1 19 18 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 13 27 1 28 13 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1