@MOLECULE 3,3-dimethylbutyl cyclohexanecarboxylate 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3192 -1.1057 0.4920 C.3 1 UNL11111111 -0.2623 2 C -3.6429 -1.7785 0.1101 C.3 1 UNL11111111 -0.2600 3 C -4.8098 -0.7938 0.2624 C.3 1 UNL11111111 -0.2633 4 C -4.5813 0.4505 -0.6061 C.3 1 UNL11111111 -0.2605 5 C -3.2617 1.1326 -0.2292 C.3 1 UNL11111111 -0.2638 6 C -2.0943 0.1462 -0.3733 C.3 1 UNL11111111 -0.1746 7 C -0.8176 0.8138 0.0729 C.2 1 UNL11111111 0.5900 8 O -0.6872 1.8493 0.6728 O.2 1 UNL11111111 -0.5157 9 O 0.2414 0.0553 -0.3005 O.3 1 UNL11111111 -0.4463 10 C 1.5396 0.5405 0.0760 C.3 1 UNL11111111 -0.0039 11 C 2.4741 -0.6067 -0.2982 C.3 1 UNL11111111 -0.3284 12 C 3.9606 -0.2739 -0.0472 C.3 1 UNL11111111 0.1340 13 C 4.1996 0.0493 1.4354 C.3 1 UNL11111111 -0.4681 14 C 4.7953 -1.5113 -0.4276 C.3 1 UNL11111111 -0.4685 15 C 4.4037 0.9135 -0.9153 C.3 1 UNL11111111 -0.4678 16 H -2.3315 -0.8312 1.5642 H 1 UNL11111111 0.1460 17 H -1.4766 -1.8121 0.3628 H 1 UNL11111111 0.1467 18 H -3.5945 -2.1507 -0.9303 H 1 UNL11111111 0.1372 19 H -3.8099 -2.6685 0.7443 H 1 UNL11111111 0.1328 20 H -5.7598 -1.2835 -0.0168 H 1 UNL11111111 0.1286 21 H -4.9181 -0.4986 1.3232 H 1 UNL11111111 0.1388 22 H -4.5743 0.1700 -1.6759 H 1 UNL11111111 0.1356 23 H -5.4199 1.1605 -0.4828 H 1 UNL11111111 0.1336 24 H -3.0913 2.0243 -0.8612 H 1 UNL11111111 0.1433 25 H -3.3095 1.5140 0.8105 H 1 UNL11111111 0.1568 26 H -1.9946 -0.1625 -1.4444 H 1 UNL11111111 0.1688 27 H 1.7323 1.4645 -0.4942 H 1 UNL11111111 0.1337 28 H 1.5387 0.7644 1.1567 H 1 UNL11111111 0.1373 29 H 2.1899 -1.5127 0.2716 H 1 UNL11111111 0.1525 30 H 2.3228 -0.8720 -1.3634 H 1 UNL11111111 0.1547 31 H 3.8468 -0.7608 2.0821 H 1 UNL11111111 0.1459 32 H 5.2657 0.1945 1.6406 H 1 UNL11111111 0.1464 33 H 3.6842 0.9655 1.7414 H 1 UNL11111111 0.1473 34 H 4.6547 -1.7815 -1.4788 H 1 UNL11111111 0.1444 35 H 5.8645 -1.3302 -0.2760 H 1 UNL11111111 0.1458 36 H 4.5217 -2.3808 0.1783 H 1 UNL11111111 0.1444 37 H 3.9051 1.8422 -0.6192 H 1 UNL11111111 0.1467 38 H 5.4822 1.0847 -0.8293 H 1 UNL11111111 0.1462 39 H 4.1818 0.7404 -1.9736 H 1 UNL11111111 0.1459 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 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 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 13 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 15 39 1