@MOLECULE (2-cyclohexylacetyl) (2R)-2-methylpentanoate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0363 0.5604 0.2570 C.3 1 UNL11111111 -0.1604 2 H -3.0737 1.3439 -0.5432 H 1 UNL11111111 0.1711 3 C -3.0123 1.2363 1.6284 C.3 1 UNL11111111 -0.4374 4 C -4.2271 -0.3978 0.0986 C.3 1 UNL11111111 -0.2759 5 C -5.5319 0.3658 -0.1553 C.3 1 UNL11111111 -0.2448 6 C -6.6919 -0.6089 -0.3589 C.3 1 UNL11111111 -0.4391 7 C -1.7621 -0.2350 0.1091 C.2 1 UNL11111111 0.6294 8 O -1.5751 -1.4038 0.2670 O.2 1 UNL11111111 -0.4415 9 O -0.7254 0.6273 -0.1761 O.3 1 UNL11111111 -0.5604 10 C 0.4286 0.1960 -0.8023 C.2 1 UNL11111111 0.6461 11 O 0.4104 -0.7114 -1.5784 O.2 1 UNL11111111 -0.4349 12 C 1.5565 1.0957 -0.4121 C.3 1 UNL11111111 -0.3772 13 C 2.8863 0.3195 -0.4442 C.3 1 UNL11111111 -0.0764 14 C 4.0572 1.3025 -0.2734 C.3 1 UNL11111111 -0.2779 15 C 5.3918 0.5456 -0.2969 C.3 1 UNL11111111 -0.2616 16 C 5.4256 -0.5202 0.8062 C.3 1 UNL11111111 -0.2658 17 C 4.2543 -1.4968 0.6399 C.3 1 UNL11111111 -0.2570 18 C 2.9183 -0.7437 0.6671 C.3 1 UNL11111111 -0.2825 19 H -2.1608 1.9236 1.7212 H 1 UNL11111111 0.1573 20 H -3.9258 1.8197 1.7957 H 1 UNL11111111 0.1536 21 H -2.9407 0.5051 2.4435 H 1 UNL11111111 0.1558 22 H -4.0387 -1.1033 -0.7370 H 1 UNL11111111 0.1561 23 H -4.3240 -1.0370 0.9982 H 1 UNL11111111 0.1550 24 H -5.7521 1.0416 0.6924 H 1 UNL11111111 0.1332 25 H -5.4277 1.0172 -1.0440 H 1 UNL11111111 0.1345 26 H -7.6337 -0.0763 -0.5291 H 1 UNL11111111 0.1393 27 H -6.5225 -1.2606 -1.2242 H 1 UNL11111111 0.1471 28 H -6.8332 -1.2539 0.5158 H 1 UNL11111111 0.1444 29 H 1.5910 1.9580 -1.1125 H 1 UNL11111111 0.1793 30 H 1.3851 1.5390 0.5914 H 1 UNL11111111 0.1810 31 H 2.9835 -0.1929 -1.4342 H 1 UNL11111111 0.1548 32 H 4.0414 2.0618 -1.0756 H 1 UNL11111111 0.1305 33 H 3.9563 1.8550 0.6787 H 1 UNL11111111 0.1375 34 H 5.5408 0.0712 -1.2850 H 1 UNL11111111 0.1382 35 H 6.2308 1.2528 -0.1697 H 1 UNL11111111 0.1274 36 H 6.3852 -1.0665 0.7798 H 1 UNL11111111 0.1285 37 H 5.3768 -0.0362 1.7989 H 1 UNL11111111 0.1344 38 H 4.3554 -2.0509 -0.3128 H 1 UNL11111111 0.1405 39 H 4.2757 -2.2594 1.4395 H 1 UNL11111111 0.1326 40 H 2.7686 -0.2744 1.6559 H 1 UNL11111111 0.1372 41 H 2.0821 -1.4580 0.5348 H 1 UNL11111111 0.1480 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 13 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1