@MOLECULE hexanoyl 3-methylcyclobutanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4415 -1.1143 -0.6970 C.3 1 UNL1111111 -0.2788 2 C -4.7552 -0.3518 -0.3473 C.3 1 UNL1111111 -0.0738 3 H -5.0936 0.3078 -1.1659 H 1 UNL1111111 0.1431 4 C -5.8879 -1.2297 0.1410 C.3 1 UNL1111111 -0.4547 5 C -3.9961 0.4233 0.7713 C.3 1 UNL1111111 -0.2795 6 C -2.6922 -0.3497 0.4312 C.3 1 UNL1111111 -0.2058 7 H -2.3336 -1.0042 1.2463 H 1 UNL1111111 0.1739 8 C -1.6060 0.5312 -0.0927 C.2 1 UNL1111111 0.6294 9 O -1.6846 1.5370 -0.7309 O.2 1 UNL1111111 -0.4278 10 O -0.3948 -0.0500 0.2153 O.3 1 UNL1111111 -0.5603 11 C 0.8080 0.6241 0.1538 C.2 1 UNL1111111 0.6372 12 O 0.8766 1.8141 0.2003 O.2 1 UNL1111111 -0.4275 13 C 1.9031 -0.3961 0.1069 C.3 1 UNL1111111 -0.3491 14 C 3.2620 0.2966 -0.0232 C.3 1 UNL1111111 -0.2586 15 C 4.3970 -0.7321 0.0197 C.3 1 UNL1111111 -0.2702 16 C 5.7588 -0.0337 -0.0947 C.3 1 UNL1111111 -0.2483 17 C 6.8998 -1.0483 -0.0270 C.3 1 UNL1111111 -0.4434 18 H -3.4853 -2.1957 -0.5495 H 1 UNL1111111 0.1485 19 H -3.0688 -0.9256 -1.7075 H 1 UNL1111111 0.1511 20 H -5.5799 -1.8767 0.9710 H 1 UNL1111111 0.1474 21 H -6.7342 -0.6274 0.4944 H 1 UNL1111111 0.1486 22 H -6.2607 -1.8799 -0.6599 H 1 UNL1111111 0.1473 23 H -3.9418 1.5054 0.6071 H 1 UNL1111111 0.1616 24 H -4.3673 0.2514 1.7838 H 1 UNL1111111 0.1480 25 H 1.8643 -1.0273 1.0215 H 1 UNL1111111 0.1799 26 H 1.7337 -1.0993 -0.7367 H 1 UNL1111111 0.1794 27 H 3.3053 0.8791 -0.9654 H 1 UNL1111111 0.1529 28 H 3.3894 1.0435 0.7867 H 1 UNL1111111 0.1554 29 H 4.3524 -1.3140 0.9594 H 1 UNL1111111 0.1366 30 H 4.2811 -1.4672 -0.7985 H 1 UNL1111111 0.1370 31 H 5.8150 0.5362 -1.0417 H 1 UNL1111111 0.1369 32 H 5.8711 0.7140 0.7138 H 1 UNL1111111 0.1370 33 H 6.8949 -1.5963 0.9217 H 1 UNL1111111 0.1420 34 H 6.8313 -1.7862 -0.8340 H 1 UNL1111111 0.1421 35 H 7.8745 -0.5551 -0.1155 H 1 UNL1111111 0.1425 @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 16 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 15 30 1 31 16 31 1 32 16 32 1 33 17 33 1 34 17 34 1 35 17 35 1