@MOLECULE [(3R)-3-methylhexanoyl] 1-methylcyclopropanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.4425 -0.2039 -1.2160 C.3 1 UNL11111111 -0.2953 2 C -4.7929 0.1239 0.2077 C.3 1 UNL11111111 -0.2913 3 C -3.4521 -0.5282 -0.1046 C.3 1 UNL11111111 -0.0786 4 C -3.2019 -1.9549 0.2874 C.3 1 UNL11111111 -0.4193 5 C -2.2692 0.3710 -0.0193 C.2 1 UNL11111111 0.6376 6 O -2.2441 1.5627 -0.1320 O.2 1 UNL11111111 -0.4464 7 O -1.1149 -0.3603 0.1232 O.3 1 UNL11111111 -0.5438 8 C 0.0470 0.1985 0.6271 C.2 1 UNL11111111 0.6413 9 O 0.0214 1.1169 1.3884 O.2 1 UNL11111111 -0.4287 10 C 1.2057 -0.6096 0.1366 C.3 1 UNL11111111 -0.3679 11 C 2.4756 0.2630 0.0633 C.3 1 UNL11111111 -0.0620 12 H 2.6206 0.7682 1.0516 H 1 UNL11111111 0.1527 13 C 2.3169 1.3328 -1.0194 C.3 1 UNL11111111 -0.4587 14 C 3.6855 -0.6465 -0.2193 C.3 1 UNL11111111 -0.2882 15 C 5.0112 0.0946 0.0002 C.3 1 UNL11111111 -0.2458 16 C 6.1979 -0.8575 -0.1480 C.3 1 UNL11111111 -0.4441 17 H -4.9421 -1.0192 -1.7318 H 1 UNL11111111 0.1621 18 H -4.2196 0.6022 -1.9145 H 1 UNL11111111 0.1714 19 H -4.8164 1.1661 0.5298 H 1 UNL11111111 0.1771 20 H -5.5503 -0.4493 0.7350 H 1 UNL11111111 0.1626 21 H -4.1095 -2.5684 0.2297 H 1 UNL11111111 0.1503 22 H -2.4474 -2.4218 -0.3639 H 1 UNL11111111 0.1634 23 H -2.8229 -2.0266 1.3177 H 1 UNL11111111 0.1613 24 H 1.3587 -1.4695 0.8241 H 1 UNL11111111 0.1772 25 H 0.9870 -1.0592 -0.8553 H 1 UNL11111111 0.1819 26 H 3.2114 1.9619 -1.0922 H 1 UNL11111111 0.1492 27 H 2.1425 0.8945 -2.0071 H 1 UNL11111111 0.1452 28 H 1.4755 2.0036 -0.7985 H 1 UNL11111111 0.1604 29 H 3.6523 -1.5350 0.4396 H 1 UNL11111111 0.1361 30 H 3.6373 -1.0347 -1.2532 H 1 UNL11111111 0.1398 31 H 5.1058 0.9278 -0.7219 H 1 UNL11111111 0.1365 32 H 5.0251 0.5614 1.0035 H 1 UNL11111111 0.1374 33 H 6.2202 -1.3196 -1.1408 H 1 UNL11111111 0.1419 34 H 7.1487 -0.3304 -0.0101 H 1 UNL11111111 0.1424 35 H 6.1610 -1.6656 0.5909 H 1 UNL11111111 0.1422 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 3 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 14 15 1 16 15 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 10 24 1 25 10 25 1 26 13 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 16 33 1 34 16 34 1 35 16 35 1