@MOLECULE 5-methylhexanoyl cyclopropanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.8654 0.7228 -1.0947 C.3 1 UNL1111111111 -0.2753 2 C -5.1759 0.6736 0.3744 C.3 1 UNL1111111111 -0.2742 3 C -3.7466 0.9000 -0.0831 C.3 1 UNL1111111111 -0.2646 4 C -2.7929 -0.2245 0.0745 C.2 1 UNL1111111111 0.6398 5 O -3.0200 -1.3958 0.1255 O.2 1 UNL1111111111 -0.4248 6 O -1.5277 0.3086 0.1499 O.3 1 UNL1111111111 -0.5504 7 C -0.3722 -0.4373 0.2734 C.2 1 UNL1111111111 0.6291 8 O -0.3641 -1.6249 0.3713 O.2 1 UNL1111111111 -0.4167 9 C 0.7728 0.5295 0.2557 C.3 1 UNL1111111111 -0.3470 10 C 2.0991 -0.2339 0.2105 C.3 1 UNL1111111111 -0.2552 11 C 3.2749 0.7428 0.1109 C.3 1 UNL1111111111 -0.2880 12 C 4.6266 0.0021 0.1197 C.3 1 UNL1111111111 -0.0565 13 C 4.8509 -0.7545 -1.1942 C.3 1 UNL1111111111 -0.4548 14 C 5.7616 1.0112 0.3395 C.3 1 UNL1111111111 -0.4610 15 H -4.9126 -0.1926 -1.6856 H 1 UNL1111111111 0.1731 16 H -5.1750 1.5741 -1.6959 H 1 UNL1111111111 0.1609 17 H -5.7148 1.4880 0.8519 H 1 UNL1111111111 0.1607 18 H -5.4439 -0.2781 0.8360 H 1 UNL1111111111 0.1762 19 H -3.2928 1.8914 0.0439 H 1 UNL1111111111 0.1905 20 H 0.6794 1.2149 -0.6144 H 1 UNL1111111111 0.1798 21 H 0.7223 1.1873 1.1501 H 1 UNL1111111111 0.1792 22 H 2.2027 -0.8739 1.1096 H 1 UNL1111111111 0.1535 23 H 2.1064 -0.9353 -0.6481 H 1 UNL1111111111 0.1544 24 H 3.1900 1.3555 -0.8056 H 1 UNL1111111111 0.1391 25 H 3.2412 1.4565 0.9558 H 1 UNL1111111111 0.1367 26 H 4.6324 -0.7308 0.9627 H 1 UNL1111111111 0.1322 27 H 4.0746 -1.5096 -1.3614 H 1 UNL1111111111 0.1472 28 H 4.8438 -0.0766 -2.0540 H 1 UNL1111111111 0.1434 29 H 5.8156 -1.2735 -1.1929 H 1 UNL1111111111 0.1423 30 H 5.6598 1.5271 1.2998 H 1 UNL1111111111 0.1412 31 H 6.7384 0.5152 0.3366 H 1 UNL1111111111 0.1452 32 H 5.7793 1.7731 -0.4468 H 1 UNL1111111111 0.1441 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 2 6 4 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 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