@MOLECULE [2-[(1S,2R)-2-methylcyclobutyl]acetyl] 3-methylbutanoate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.3348 0.0735 -0.1105 C.3 1 UNL11111111 -0.0402 2 C -5.5063 -0.3285 -1.0118 C.3 1 UNL11111111 -0.4567 3 C -4.3187 -0.7829 1.1584 C.3 1 UNL11111111 -0.4606 4 C -3.0150 -0.0901 -0.8895 C.3 1 UNL11111111 -0.3715 5 C -1.8760 0.4933 -0.1165 C.2 1 UNL11111111 0.6480 6 O -1.8611 1.4060 0.6527 O.2 1 UNL11111111 -0.4340 7 O -0.7124 -0.1452 -0.5027 O.3 1 UNL11111111 -0.5669 8 C 0.3943 -0.2247 0.3153 C.2 1 UNL11111111 0.6474 9 O 0.3038 -0.1396 1.5028 O.2 1 UNL11111111 -0.4363 10 C 1.5898 -0.5313 -0.5320 C.3 1 UNL11111111 -0.3630 11 C 2.8619 -0.1305 0.1959 C.3 1 UNL11111111 -0.1149 12 H 2.8499 -0.4996 1.2387 H 1 UNL11111111 0.1603 13 C 4.1791 -0.5007 -0.5636 C.3 1 UNL11111111 -0.0949 14 H 3.9955 -0.9033 -1.5735 H 1 UNL11111111 0.1317 15 C 5.1168 -1.4030 0.2110 C.3 1 UNL11111111 -0.4533 16 C 4.5760 1.0054 -0.5878 C.3 1 UNL11111111 -0.2923 17 C 3.2399 1.3757 0.1033 C.3 1 UNL11111111 -0.2822 18 H -4.4495 1.1486 0.1815 H 1 UNL11111111 0.1505 19 H -6.4611 -0.2302 -0.4818 H 1 UNL11111111 0.1495 20 H -5.5649 0.3018 -1.9054 H 1 UNL11111111 0.1427 21 H -5.4249 -1.3699 -1.3418 H 1 UNL11111111 0.1457 22 H -3.5121 -0.4754 1.8379 H 1 UNL11111111 0.1596 23 H -5.2585 -0.6861 1.7141 H 1 UNL11111111 0.1495 24 H -4.1772 -1.8450 0.9345 H 1 UNL11111111 0.1450 25 H -2.8301 -1.1605 -1.1210 H 1 UNL11111111 0.1815 26 H -3.0799 0.4157 -1.8767 H 1 UNL11111111 0.1781 27 H 1.6007 -1.6202 -0.7637 H 1 UNL11111111 0.1815 28 H 1.5143 -0.0262 -1.5196 H 1 UNL11111111 0.1836 29 H 4.6956 -2.4087 0.3302 H 1 UNL11111111 0.1468 30 H 6.0811 -1.5074 -0.3005 H 1 UNL11111111 0.1451 31 H 5.3229 -1.0144 1.2163 H 1 UNL11111111 0.1514 32 H 5.4674 1.2468 -0.0047 H 1 UNL11111111 0.1420 33 H 4.7052 1.4225 -1.5877 H 1 UNL11111111 0.1361 34 H 2.5662 1.9821 -0.5063 H 1 UNL11111111 0.1426 35 H 3.3470 1.8695 1.0730 H 1 UNL11111111 0.1479 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 13 15 1 15 13 16 1 16 16 17 1 17 11 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 10 27 1 28 10 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 17 34 1 35 17 35 1