@MOLECULE 3,3-dimethylbutanoyl cyclopentanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7743 -1.2065 0.5857 C.3 1 UNL11111111 -0.2543 2 C -4.2769 -1.4799 0.4159 C.3 1 UNL11111111 -0.2627 3 C -4.8886 -0.1952 -0.1760 C.3 1 UNL11111111 -0.2595 4 C -3.7219 0.6855 -0.6634 C.3 1 UNL11111111 -0.2656 5 C -2.4437 -0.1554 -0.4919 C.3 1 UNL11111111 -0.1769 6 C -1.2822 0.6913 -0.0458 C.2 1 UNL11111111 0.6165 7 O -1.2816 1.7929 0.4118 O.2 1 UNL11111111 -0.4254 8 O -0.1392 -0.0509 -0.2353 O.3 1 UNL11111111 -0.5640 9 C 1.1413 0.3884 0.0506 C.2 1 UNL11111111 0.6429 10 O 1.3683 1.4976 0.4237 O.2 1 UNL11111111 -0.4258 11 C 2.0524 -0.7697 -0.2116 C.3 1 UNL11111111 -0.3809 12 C 3.5527 -0.4175 -0.0682 C.3 1 UNL11111111 0.1526 13 C 3.8616 0.0220 1.3678 C.3 1 UNL11111111 -0.4746 14 C 4.3617 -1.6860 -0.3955 C.3 1 UNL11111111 -0.4715 15 C 3.9326 0.6943 -1.0535 C.3 1 UNL11111111 -0.4748 16 H -2.5621 -0.8186 1.5986 H 1 UNL11111111 0.1474 17 H -2.1668 -2.1170 0.4669 H 1 UNL11111111 0.1421 18 H -4.4428 -2.3352 -0.2605 H 1 UNL11111111 0.1339 19 H -4.7487 -1.7488 1.3739 H 1 UNL11111111 0.1361 20 H -5.5802 -0.4321 -1.0002 H 1 UNL11111111 0.1327 21 H -5.4866 0.3389 0.5814 H 1 UNL11111111 0.1383 22 H -3.8579 0.9996 -1.7101 H 1 UNL11111111 0.1394 23 H -3.6672 1.6195 -0.0705 H 1 UNL11111111 0.1628 24 H -2.1900 -0.6676 -1.4513 H 1 UNL11111111 0.1692 25 H 1.7912 -1.6000 0.4803 H 1 UNL11111111 0.1798 26 H 1.8550 -1.1715 -1.2296 H 1 UNL11111111 0.1809 27 H 3.5693 -0.7369 2.0992 H 1 UNL11111111 0.1425 28 H 4.9312 0.2160 1.5027 H 1 UNL11111111 0.1487 29 H 3.3341 0.9520 1.6246 H 1 UNL11111111 0.1709 30 H 4.1882 -2.0230 -1.4221 H 1 UNL11111111 0.1440 31 H 5.4370 -1.5016 -0.2919 H 1 UNL11111111 0.1506 32 H 4.1082 -2.5117 0.2764 H 1 UNL11111111 0.1438 33 H 3.4176 1.6356 -0.8148 H 1 UNL11111111 0.1691 34 H 5.0073 0.9032 -1.0211 H 1 UNL11111111 0.1491 35 H 3.6794 0.4303 -2.0845 H 1 UNL11111111 0.1428 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 11 25 1 26 11 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 33 15 33 1 34 15 34 1 35 15 35 1