@MOLECULE pentanoyl 3-methylcyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7762 1.1194 -0.7463 C.3 1 UNL11111111 -0.2768 2 C -4.1915 0.6304 -0.3122 C.3 1 UNL11111111 -0.0782 3 H -4.9130 1.4592 -0.2129 H 1 UNL11111111 0.1334 4 C -4.7666 -0.4863 -1.1564 C.3 1 UNL11111111 -0.4536 5 C -3.6034 0.1813 1.0596 C.3 1 UNL11111111 -0.2831 6 C -2.2115 0.7311 0.6494 C.3 1 UNL11111111 -0.2047 7 H -1.8781 1.6006 1.2464 H 1 UNL11111111 0.1732 8 C -1.1416 -0.3086 0.5853 C.2 1 UNL11111111 0.6303 9 O -1.1995 -1.4819 0.7952 O.2 1 UNL11111111 -0.4266 10 O 0.0452 0.3310 0.2946 O.3 1 UNL11111111 -0.5594 11 C 1.1722 -0.3169 -0.1635 C.2 1 UNL11111111 0.6374 12 O 1.1331 -1.4043 -0.6530 O.2 1 UNL11111111 -0.4296 13 C 2.3312 0.6183 -0.0004 C.3 1 UNL11111111 -0.3506 14 C 3.6487 -0.1578 -0.0735 C.3 1 UNL11111111 -0.2564 15 C 4.8436 0.7999 0.0097 C.3 1 UNL11111111 -0.2480 16 C 6.1566 0.0401 -0.1760 C.3 1 UNL11111111 -0.4387 17 H -2.3439 0.5665 -1.5855 H 1 UNL11111111 0.1551 18 H -2.7099 2.1845 -0.9775 H 1 UNL11111111 0.1449 19 H -4.0800 -1.3403 -1.2302 H 1 UNL11111111 0.1593 20 H -5.7059 -0.8626 -0.7332 H 1 UNL11111111 0.1483 21 H -4.9771 -0.1481 -2.1777 H 1 UNL11111111 0.1472 22 H -4.0455 0.6695 1.9297 H 1 UNL11111111 0.1431 23 H -3.6299 -0.9019 1.2301 H 1 UNL11111111 0.1681 24 H 2.2845 1.3949 -0.7952 H 1 UNL11111111 0.1785 25 H 2.2530 1.1761 0.9573 H 1 UNL11111111 0.1793 26 H 3.7006 -0.9050 0.7428 H 1 UNL11111111 0.1507 27 H 3.6930 -0.7475 -1.0119 H 1 UNL11111111 0.1580 28 H 4.7562 1.5898 -0.7602 H 1 UNL11111111 0.1336 29 H 4.8450 1.3246 0.9840 H 1 UNL11111111 0.1341 30 H 6.2837 -0.7359 0.5874 H 1 UNL11111111 0.1458 31 H 6.2021 -0.4513 -1.1549 H 1 UNL11111111 0.1459 32 H 7.0185 0.7124 -0.1067 H 1 UNL11111111 0.1395 @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 14 15 1 16 15 16 1 17 1 17 1 18 1 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1