@MOLECULE propanoyl 3-methylcyclobutanecarboxylate 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0379 1.2129 -0.5239 C.3 1 UNL11111111 -0.2784 2 C -3.3682 0.5280 -0.0864 C.3 1 UNL11111111 -0.0772 3 H -4.1383 1.2542 0.2232 H 1 UNL11111111 0.1330 4 C -3.9289 -0.4595 -1.0876 C.3 1 UNL11111111 -0.4541 5 C -2.6259 -0.1177 1.1225 C.3 1 UNL11111111 -0.2820 6 C -1.3114 0.5953 0.7048 C.3 1 UNL11111111 -0.2028 7 H -0.9540 1.3466 1.4319 H 1 UNL11111111 0.1722 8 C -0.2204 -0.3481 0.3104 C.2 1 UNL11111111 0.6244 9 O -0.2788 -1.5135 0.0622 O.2 1 UNL11111111 -0.4222 10 O 0.9477 0.3793 0.2394 O.3 1 UNL11111111 -0.5601 11 C 2.1887 -0.1578 -0.0338 C.2 1 UNL11111111 0.6293 12 O 2.3860 -1.3284 -0.1394 O.2 1 UNL11111111 -0.4178 13 C 3.1518 0.9892 -0.1362 C.3 1 UNL11111111 -0.3247 14 C 4.5743 0.4651 -0.2816 C.3 1 UNL11111111 -0.4245 15 H -1.6578 0.8838 -1.4951 H 1 UNL11111111 0.1537 16 H -2.0649 2.3045 -0.5266 H 1 UNL11111111 0.1445 17 H -3.1877 -1.2198 -1.3712 H 1 UNL11111111 0.1609 18 H -4.7973 -0.9916 -0.6806 H 1 UNL11111111 0.1484 19 H -4.2502 0.0425 -2.0078 H 1 UNL11111111 0.1462 20 H -3.0060 0.1757 2.1028 H 1 UNL11111111 0.1432 21 H -2.5788 -1.2129 1.0900 H 1 UNL11111111 0.1678 22 H 2.8727 1.6331 -0.9984 H 1 UNL11111111 0.1760 23 H 3.0574 1.6446 0.7568 H 1 UNL11111111 0.1766 24 H 4.8646 -0.1619 0.5729 H 1 UNL11111111 0.1589 25 H 4.6857 -0.1583 -1.1800 H 1 UNL11111111 0.1609 26 H 5.2984 1.2847 -0.3532 H 1 UNL11111111 0.1477 @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 1 15 1 16 1 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 13 22 1 23 13 23 1 24 14 24 1 25 14 25 1 26 14 26 1