@MOLECULE 3,3-dimethylbutanoyl cyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3207 1.2771 -0.6621 C.3 1 UNL11111111 -0.2567 2 C -4.6947 0.5949 -0.4304 C.3 1 UNL11111111 -0.2704 3 C -4.0929 -0.2230 0.7422 C.3 1 UNL11111111 -0.2613 4 C -2.7219 0.4786 0.5328 C.3 1 UNL11111111 -0.2037 5 C -1.6297 -0.4546 0.1159 C.2 1 UNL11111111 0.6243 6 O -1.7088 -1.5738 -0.2899 O.2 1 UNL11111111 -0.4228 7 O -0.4374 0.2169 0.2600 O.3 1 UNL11111111 -0.5628 8 C 0.8093 -0.3308 0.0131 C.2 1 UNL11111111 0.6423 9 O 0.9572 -1.4780 -0.2751 O.2 1 UNL11111111 -0.4257 10 C 1.8004 0.7752 0.1988 C.3 1 UNL11111111 -0.3803 11 C 3.2697 0.3264 0.0119 C.3 1 UNL11111111 0.1533 12 C 3.4882 -0.1984 -1.4120 C.3 1 UNL11111111 -0.4748 13 C 4.1647 1.5577 0.2431 C.3 1 UNL11111111 -0.4716 14 C 3.6300 -0.7591 1.0327 C.3 1 UNL11111111 -0.4747 15 H -2.8662 1.0590 -1.6333 H 1 UNL11111111 0.1503 16 H -3.3139 2.3607 -0.5222 H 1 UNL11111111 0.1449 17 H -5.4997 1.2752 -0.1442 H 1 UNL11111111 0.1395 18 H -5.0454 -0.0115 -1.2704 H 1 UNL11111111 0.1475 19 H -4.5500 -0.0342 1.7158 H 1 UNL11111111 0.1433 20 H -4.0776 -1.3072 0.5748 H 1 UNL11111111 0.1644 21 H -2.4078 1.1157 1.3788 H 1 UNL11111111 0.1723 22 H 1.5644 1.5989 -0.5103 H 1 UNL11111111 0.1805 23 H 1.6676 1.2204 1.2092 H 1 UNL11111111 0.1808 24 H 3.2213 0.5463 -2.1674 H 1 UNL11111111 0.1426 25 H 4.5351 -0.4756 -1.5763 H 1 UNL11111111 0.1488 26 H 2.8868 -1.0982 -1.6047 H 1 UNL11111111 0.1703 27 H 4.0460 1.9612 1.2534 H 1 UNL11111111 0.1440 28 H 5.2227 1.3005 0.1195 H 1 UNL11111111 0.1505 29 H 3.9417 2.3595 -0.4676 H 1 UNL11111111 0.1440 30 H 3.0503 -1.6776 0.8628 H 1 UNL11111111 0.1696 31 H 4.6881 -1.0341 0.9621 H 1 UNL11111111 0.1488 32 H 3.4415 -0.4330 2.0597 H 1 UNL11111111 0.1427 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 10 22 1 23 10 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1