@MOLECULE (2-cyclohexylacetyl) 3-methylcyclobutanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7660 -0.8545 -0.9569 C.3 1 UNL11111111 -0.2778 2 C -5.0357 0.0143 -0.7063 C.3 1 UNL11111111 -0.0751 3 H -5.1491 0.8242 -1.4486 H 1 UNL11111111 0.1420 4 C -6.3237 -0.7691 -0.5642 C.3 1 UNL11111111 -0.4544 5 C -4.4168 0.5147 0.6333 C.3 1 UNL11111111 -0.2802 6 C -3.1578 -0.3613 0.3868 C.3 1 UNL11111111 -0.2068 7 H -3.0189 -1.1675 1.1302 H 1 UNL11111111 0.1738 8 C -1.9104 0.4373 0.2032 C.2 1 UNL11111111 0.6331 9 O -1.7774 1.5733 -0.1414 O.2 1 UNL11111111 -0.4325 10 O -0.8257 -0.3855 0.4214 O.3 1 UNL11111111 -0.5586 11 C 0.4245 0.1084 0.7410 C.2 1 UNL11111111 0.6434 12 O 0.5622 1.1686 1.2720 O.2 1 UNL11111111 -0.4325 13 C 1.4406 -0.9342 0.3999 C.3 1 UNL11111111 -0.3752 14 C 2.8524 -0.3231 0.3690 C.3 1 UNL11111111 -0.0770 15 C 3.8978 -1.4487 0.2787 C.3 1 UNL11111111 -0.2784 16 C 5.3126 -0.8550 0.2492 C.3 1 UNL11111111 -0.2615 17 C 5.4655 0.1096 -0.9343 C.3 1 UNL11111111 -0.2663 18 C 4.4160 1.2260 -0.8555 C.3 1 UNL11111111 -0.2575 19 C 3.0006 0.6359 -0.8245 C.3 1 UNL11111111 -0.2811 20 H -3.9465 -1.9314 -0.9942 H 1 UNL11111111 0.1489 21 H -3.2001 -0.5771 -1.8501 H 1 UNL11111111 0.1498 22 H -6.2350 -1.5790 0.1697 H 1 UNL11111111 0.1476 23 H -7.1487 -0.1229 -0.2391 H 1 UNL11111111 0.1487 24 H -6.6202 -1.2233 -1.5177 H 1 UNL11111111 0.1469 25 H -4.2235 1.5935 0.6609 H 1 UNL11111111 0.1629 26 H -4.9804 0.2479 1.5297 H 1 UNL11111111 0.1482 27 H 1.3846 -1.7538 1.1493 H 1 UNL11111111 0.1803 28 H 1.1976 -1.4145 -0.5719 H 1 UNL11111111 0.1821 29 H 3.0200 0.2535 1.3130 H 1 UNL11111111 0.1538 30 H 3.7964 -2.1374 1.1363 H 1 UNL11111111 0.1301 31 H 3.7279 -2.0566 -0.6290 H 1 UNL11111111 0.1375 32 H 5.5213 -0.3254 1.1977 H 1 UNL11111111 0.1379 33 H 6.0626 -1.6633 0.1806 H 1 UNL11111111 0.1273 34 H 6.4817 0.5425 -0.9433 H 1 UNL11111111 0.1283 35 H 5.3598 -0.4423 -1.8865 H 1 UNL11111111 0.1343 36 H 4.5868 1.8433 0.0471 H 1 UNL11111111 0.1402 37 H 4.5219 1.9110 -1.7164 H 1 UNL11111111 0.1320 38 H 2.7886 0.1092 -1.7721 H 1 UNL11111111 0.1361 39 H 2.2558 1.4528 -0.7495 H 1 UNL11111111 0.1495 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 16 17 1 18 17 18 1 19 18 19 1 20 14 19 1 21 1 20 1 22 1 21 1 23 4 22 1 24 4 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 13 27 1 29 13 28 1 30 14 29 1 31 15 30 1 32 15 31 1 33 16 32 1 34 16 33 1 35 17 34 1 36 17 35 1 37 18 36 1 38 18 37 1 39 19 38 1 40 19 39 1