@MOLECULE cyclohexyl 2-methylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9370 -0.5075 -0.2245 C.3 1 UNL11111111 -0.1579 2 H -1.9568 -1.5138 0.2671 H 1 UNL11111111 0.1672 3 C -1.8641 -0.6875 -1.7414 C.3 1 UNL11111111 -0.4366 4 C -3.1659 0.3041 0.2114 C.3 1 UNL11111111 -0.2734 5 C -4.4659 -0.4841 0.0172 C.3 1 UNL11111111 -0.2462 6 C -5.6623 0.3216 0.5248 C.3 1 UNL11111111 -0.4393 7 C -0.6924 0.2270 0.2242 C.2 1 UNL11111111 0.6010 8 O -0.6130 1.3459 0.6616 O.2 1 UNL11111111 -0.5214 9 O 0.3860 -0.5761 0.0752 O.3 1 UNL11111111 -0.4686 10 C 1.6738 -0.0431 0.4321 C.3 1 UNL11111111 0.1592 11 C 2.5471 -1.2980 0.5513 C.3 1 UNL11111111 -0.3046 12 C 4.0051 -0.8877 0.7816 C.3 1 UNL11111111 -0.2593 13 C 4.4934 0.0362 -0.3427 C.3 1 UNL11111111 -0.2672 14 C 3.6054 1.2837 -0.4447 C.3 1 UNL11111111 -0.2567 15 C 2.1450 0.8901 -0.6866 C.3 1 UNL11111111 -0.3229 16 H -0.9458 -1.2135 -2.0366 H 1 UNL11111111 0.1589 17 H -2.7122 -1.2755 -2.1116 H 1 UNL11111111 0.1514 18 H -1.8789 0.2755 -2.2663 H 1 UNL11111111 0.1530 19 H -3.0600 0.6012 1.2750 H 1 UNL11111111 0.1538 20 H -3.2082 1.2592 -0.3479 H 1 UNL11111111 0.1542 21 H -4.6066 -0.7311 -1.0523 H 1 UNL11111111 0.1342 22 H -4.4101 -1.4525 0.5491 H 1 UNL11111111 0.1331 23 H -6.6009 -0.2223 0.3742 H 1 UNL11111111 0.1385 24 H -5.5753 0.5380 1.5957 H 1 UNL11111111 0.1450 25 H -5.7504 1.2811 0.0023 H 1 UNL11111111 0.1445 26 H 1.5790 0.4929 1.4009 H 1 UNL11111111 0.1371 27 H 2.1823 -1.9378 1.3752 H 1 UNL11111111 0.1452 28 H 2.4539 -1.9086 -0.3673 H 1 UNL11111111 0.1536 29 H 4.1087 -0.3816 1.7601 H 1 UNL11111111 0.1385 30 H 4.6446 -1.7881 0.8363 H 1 UNL11111111 0.1338 31 H 5.5430 0.3310 -0.1621 H 1 UNL11111111 0.1316 32 H 4.4900 -0.5073 -1.3061 H 1 UNL11111111 0.1378 33 H 3.6871 1.8849 0.4810 H 1 UNL11111111 0.1399 34 H 3.9606 1.9379 -1.2621 H 1 UNL11111111 0.1350 35 H 2.0317 0.3939 -1.6679 H 1 UNL11111111 0.1493 36 H 1.5000 1.7902 -0.7226 H 1 UNL11111111 0.1582 @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 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 10 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 6 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1