@MOLECULE 3,3-dimethylbutanoyl cyclohexanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4324 -1.0324 0.7028 C.3 1 UNL11111111 -0.2599 2 C -3.7017 -1.8149 0.3444 C.3 1 UNL11111111 -0.2614 3 C -4.9040 -0.8690 0.2274 C.3 1 UNL11111111 -0.2646 4 C -4.6351 0.2181 -0.8216 C.3 1 UNL11111111 -0.2602 5 C -3.3703 1.0081 -0.4673 C.3 1 UNL11111111 -0.2659 6 C -2.1712 0.0561 -0.3518 C.3 1 UNL11111111 -0.1732 7 C -0.9520 0.8448 0.0617 C.2 1 UNL11111111 0.6132 8 O -0.8879 1.9413 0.5266 O.2 1 UNL11111111 -0.4260 9 O 0.1491 0.0554 -0.1766 O.3 1 UNL11111111 -0.5645 10 C 1.4581 0.4343 0.0602 C.2 1 UNL11111111 0.6435 11 O 1.7514 1.5312 0.4233 O.2 1 UNL11111111 -0.4266 12 C 2.3029 -0.7648 -0.2376 C.3 1 UNL11111111 -0.3815 13 C 3.8219 -0.4955 -0.1175 C.3 1 UNL11111111 0.1527 14 C 4.1781 -0.0867 1.3166 C.3 1 UNL11111111 -0.4747 15 C 4.5548 -1.8029 -0.4699 C.3 1 UNL11111111 -0.4716 16 C 4.2464 0.6032 -1.0989 C.3 1 UNL11111111 -0.4748 17 H -2.5416 -0.5756 1.7055 H 1 UNL11111111 0.1476 18 H -1.5650 -1.7172 0.7658 H 1 UNL11111111 0.1448 19 H -3.5563 -2.3616 -0.6059 H 1 UNL11111111 0.1363 20 H -3.8980 -2.5866 1.1113 H 1 UNL11111111 0.1328 21 H -5.8120 -1.4391 -0.0396 H 1 UNL11111111 0.1296 22 H -5.1143 -0.4029 1.2085 H 1 UNL11111111 0.1401 23 H -4.5307 -0.2396 -1.8229 H 1 UNL11111111 0.1353 24 H -5.5008 0.9027 -0.8893 H 1 UNL11111111 0.1350 25 H -3.1734 1.7859 -1.2290 H 1 UNL11111111 0.1444 26 H -3.5152 1.5565 0.4854 H 1 UNL11111111 0.1578 27 H -1.9807 -0.4307 -1.3413 H 1 UNL11111111 0.1704 28 H 2.0112 -1.5929 0.4447 H 1 UNL11111111 0.1797 29 H 2.0654 -1.1371 -1.2584 H 1 UNL11111111 0.1809 30 H 3.8651 -0.8394 2.0457 H 1 UNL11111111 0.1425 31 H 5.2580 0.0564 1.4311 H 1 UNL11111111 0.1486 32 H 3.7000 0.8636 1.5942 H 1 UNL11111111 0.1707 33 H 4.3382 -2.1247 -1.4932 H 1 UNL11111111 0.1439 34 H 5.6405 -1.6755 -0.3923 H 1 UNL11111111 0.1505 35 H 4.2756 -2.6181 0.2048 H 1 UNL11111111 0.1438 36 H 3.7824 1.5672 -0.8462 H 1 UNL11111111 0.1693 37 H 5.3306 0.7574 -1.0776 H 1 UNL11111111 0.1490 38 H 3.9678 0.3612 -2.1286 H 1 UNL11111111 0.1427 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 12 28 1 29 12 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1