@MOLECULE isobutyl cyclobutanecarboxylate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3637 -1.3122 0.2343 C.3 1 UNL111111111111 -0.2558 2 C -3.7378 -0.5956 0.3064 C.3 1 UNL111111111111 -0.2695 3 C -3.1685 0.5828 -0.5263 C.3 1 UNL111111111111 -0.2590 4 C -1.8015 -0.1486 -0.6345 C.3 1 UNL111111111111 -0.2049 5 C -0.6758 0.5804 0.0244 C.2 1 UNL111111111111 0.5974 6 O -0.7310 1.4817 0.8211 O.2 1 UNL111111111111 -0.5109 7 O 0.5036 0.0711 -0.4086 O.3 1 UNL111111111111 -0.4391 8 C 1.6921 0.6561 0.1409 C.3 1 UNL111111111111 -0.0302 9 C 2.8213 -0.2623 -0.3478 C.3 1 UNL111111111111 -0.0828 10 C 4.1604 0.4581 -0.1732 C.3 1 UNL111111111111 -0.4553 11 C 2.8063 -1.5820 0.4272 C.3 1 UNL111111111111 -0.4479 12 H -1.8699 -1.4396 1.2020 H 1 UNL111111111111 0.1489 13 H -2.3748 -2.2809 -0.2711 H 1 UNL111111111111 0.1451 14 H -4.5574 -1.1361 -0.1722 H 1 UNL111111111111 0.1395 15 H -4.0526 -0.3226 1.3173 H 1 UNL111111111111 0.1459 16 H -3.6649 0.7540 -1.4834 H 1 UNL111111111111 0.1419 17 H -3.1254 1.5365 0.0144 H 1 UNL111111111111 0.1637 18 H -1.5353 -0.4548 -1.6623 H 1 UNL111111111111 0.1712 19 H 1.7733 1.6833 -0.2528 H 1 UNL111111111111 0.1331 20 H 1.6101 0.6915 1.2402 H 1 UNL111111111111 0.1401 21 H 2.6550 -0.4793 -1.4329 H 1 UNL111111111111 0.1477 22 H 4.3463 0.7194 0.8748 H 1 UNL111111111111 0.1483 23 H 4.9917 -0.1759 -0.5023 H 1 UNL111111111111 0.1485 24 H 4.2031 1.3821 -0.7607 H 1 UNL111111111111 0.1453 25 H 3.5668 -2.2745 0.0516 H 1 UNL111111111111 0.1417 26 H 2.9965 -1.4294 1.4948 H 1 UNL111111111111 0.1443 27 H 1.8320 -2.0782 0.3325 H 1 UNL111111111111 0.1530 @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 1 10 9 10 1 11 9 11 1 12 1 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1