@MOLECULE 4-methylpentanoyl 3-methylcyclobutanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1276 -1.1598 -0.5221 C.3 1 UNL11111111 -0.2780 2 C -4.5168 -0.4689 -0.3716 C.3 1 UNL11111111 -0.0752 3 H -4.8328 0.0537 -1.2918 H 1 UNL11111111 0.1426 4 C -5.6216 -1.3667 0.1439 C.3 1 UNL11111111 -0.4546 5 C -3.9088 0.4997 0.6869 C.3 1 UNL11111111 -0.2813 6 C -2.5288 -0.1970 0.5427 C.3 1 UNL11111111 -0.2046 7 H -2.1853 -0.7084 1.4599 H 1 UNL11111111 0.1729 8 C -1.4689 0.6950 -0.0194 C.2 1 UNL11111111 0.6234 9 O -1.5825 1.7050 -0.6443 O.2 1 UNL11111111 -0.4216 10 O -0.2489 0.1237 0.2698 O.3 1 UNL11111111 -0.5558 11 C 0.9683 0.7225 0.0206 C.2 1 UNL11111111 0.6309 12 O 1.0802 1.8642 -0.3048 O.2 1 UNL11111111 -0.4231 13 C 2.0306 -0.3026 0.2798 C.3 1 UNL11111111 -0.3480 14 C 3.4104 0.2924 -0.0107 C.3 1 UNL11111111 -0.2739 15 C 4.5376 -0.6962 0.3397 C.3 1 UNL11111111 -0.0561 16 C 4.6013 -1.8421 -0.6766 C.3 1 UNL11111111 -0.4552 17 C 5.8784 0.0489 0.3690 C.3 1 UNL11111111 -0.4563 18 H -3.1051 -2.2131 -0.2335 H 1 UNL11111111 0.1486 19 H -2.6889 -1.0748 -1.5199 H 1 UNL11111111 0.1500 20 H -5.3301 -1.8962 1.0587 H 1 UNL11111111 0.1472 21 H -6.5268 -0.7910 0.3749 H 1 UNL11111111 0.1488 22 H -5.8977 -2.1249 -0.5991 H 1 UNL11111111 0.1472 23 H -3.9217 1.5542 0.3883 H 1 UNL11111111 0.1632 24 H -4.3469 0.4241 1.6840 H 1 UNL11111111 0.1473 25 H 1.9626 -0.6563 1.3312 H 1 UNL11111111 0.1785 26 H 1.8469 -1.2054 -0.3415 H 1 UNL11111111 0.1796 27 H 3.4826 0.5937 -1.0743 H 1 UNL11111111 0.1550 28 H 3.5412 1.2323 0.5642 H 1 UNL11111111 0.1558 29 H 4.3460 -1.1223 1.3540 H 1 UNL11111111 0.1279 30 H 4.7680 -1.4681 -1.6930 H 1 UNL11111111 0.1481 31 H 5.4206 -2.5314 -0.4446 H 1 UNL11111111 0.1421 32 H 3.6762 -2.4268 -0.6867 H 1 UNL11111111 0.1398 33 H 5.8822 0.8385 1.1283 H 1 UNL11111111 0.1447 34 H 6.7057 -0.6305 0.6004 H 1 UNL11111111 0.1421 35 H 6.0995 0.5161 -0.5971 H 1 UNL11111111 0.1482 @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 15 16 1 17 15 17 1 18 1 18 1 19 1 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 33 17 33 1 34 17 34 1 35 17 35 1