@MOLECULE 5-methylhexanoyl (1S,2S)-2-methylcyclopropanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7840 0.2674 -0.3651 C.3 1 UNL11111111 -0.0801 2 H 4.9217 -0.7479 -0.7678 H 1 UNL11111111 0.1716 3 C 5.5235 1.3149 -1.1477 C.3 1 UNL11111111 -0.4408 4 C 4.6116 0.4121 1.1247 C.3 1 UNL11111111 -0.2987 5 C 3.4127 0.6097 0.2155 C.3 1 UNL11111111 -0.2916 6 H 3.0118 1.6212 0.0758 H 1 UNL11111111 0.1921 7 C 2.3868 -0.4570 0.2002 C.2 1 UNL11111111 0.6419 8 O 2.5407 -1.6397 0.2728 O.2 1 UNL11111111 -0.4300 9 O 1.1524 0.1424 0.0982 O.3 1 UNL11111111 -0.5481 10 C -0.0398 -0.5469 -0.0003 C.2 1 UNL11111111 0.6293 11 O -0.1065 -1.7336 -0.0901 O.2 1 UNL11111111 -0.4185 12 C -1.1399 0.4712 0.0134 C.3 1 UNL11111111 -0.3472 13 C -2.4999 -0.2324 0.0210 C.3 1 UNL11111111 -0.2554 14 C -3.6352 0.7935 0.0959 C.3 1 UNL11111111 -0.2882 15 C -5.0108 0.1039 0.1892 C.3 1 UNL11111111 -0.0563 16 C -6.0668 1.1197 0.6449 C.3 1 UNL11111111 -0.4610 17 C -5.4168 -0.4996 -1.1598 C.3 1 UNL11111111 -0.4551 18 H 6.6069 1.1270 -1.1304 H 1 UNL11111111 0.1565 19 H 5.2087 1.3206 -2.2011 H 1 UNL11111111 0.1564 20 H 5.3657 2.3281 -0.7572 H 1 UNL11111111 0.1497 21 H 4.6611 -0.4728 1.7596 H 1 UNL11111111 0.1736 22 H 5.0263 1.2702 1.6466 H 1 UNL11111111 0.1628 23 H -1.0313 1.1370 0.8967 H 1 UNL11111111 0.1794 24 H -1.0442 1.1406 -0.8683 H 1 UNL11111111 0.1790 25 H -2.6075 -0.8638 -0.8837 H 1 UNL11111111 0.1543 26 H -2.5606 -0.9362 0.8757 H 1 UNL11111111 0.1533 27 H -3.4910 1.4477 0.9768 H 1 UNL11111111 0.1371 28 H -3.6096 1.4629 -0.7833 H 1 UNL11111111 0.1389 29 H -4.9544 -0.7147 0.9475 H 1 UNL11111111 0.1327 30 H -6.1433 1.9607 -0.0519 H 1 UNL11111111 0.1439 31 H -7.0579 0.6578 0.7102 H 1 UNL11111111 0.1450 32 H -5.8304 1.5268 1.6334 H 1 UNL11111111 0.1414 33 H -4.6949 -1.2513 -1.4976 H 1 UNL11111111 0.1470 34 H -6.3935 -0.9911 -1.0960 H 1 UNL11111111 0.1422 35 H -5.4852 0.2663 -1.9388 H 1 UNL11111111 0.1430 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 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 14 15 1 16 15 16 1 17 15 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 33 17 33 1 34 17 34 1 35 17 35 1