@MOLECULE 2-[4-(5-isopropyl-2-methylcyclohexyl)phenoxy]ethanol 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1580 -0.1796 0.2554 O.3 1 UNL1111111111 -0.3636 2 O 7.0438 -0.3509 0.0422 O.3 1 UNL1111111111 -0.5389 3 C -3.6624 -0.4346 0.1496 C.3 1 UNL1111111111 -0.1103 4 C -1.4050 0.6754 0.4617 C.3 1 UNL1111111111 -0.1208 5 C -1.8708 1.9019 -0.3568 C.3 1 UNL1111111111 -0.0786 6 C -2.1404 -0.5929 -0.0135 C.3 1 UNL1111111111 -0.2896 7 C -4.1221 0.7894 -0.6649 C.3 1 UNL1111111111 -0.2831 8 C -3.3939 2.0572 -0.2039 C.3 1 UNL1111111111 -0.2832 9 C -4.3973 -1.7152 -0.3178 C.3 1 UNL1111111111 -0.0777 10 C 0.0783 0.4590 0.3465 C.ar 1 UNL1111111111 -0.0634 11 C -1.1639 3.1732 0.1227 C.3 1 UNL1111111111 -0.4592 12 C -3.9351 -2.9386 0.4866 C.3 1 UNL1111111111 -0.4537 13 C -5.9170 -1.5669 -0.1562 C.3 1 UNL1111111111 -0.4559 14 C 0.8544 0.4032 1.5116 C.ar 1 UNL1111111111 -0.1092 15 C 0.6921 0.3046 -0.8957 C.ar 1 UNL1111111111 -0.1021 16 C 2.2224 0.1881 1.4405 C.ar 1 UNL1111111111 -0.2403 17 C 2.0672 0.0932 -0.9944 C.ar 1 UNL1111111111 -0.2889 18 C 2.8150 0.0268 0.1787 C.ar 1 UNL1111111111 0.2443 19 C 4.8399 -0.6050 -0.9252 C.3 1 UNL1111111111 -0.0965 20 C 6.0887 -1.3015 -0.3730 C.3 1 UNL1111111111 -0.0146 21 H -3.8965 -0.2619 1.2255 H 1 UNL1111111111 0.1350 22 H -1.6771 0.8563 1.5321 H 1 UNL1111111111 0.1437 23 H -1.6314 1.7357 -1.4328 H 1 UNL1111111111 0.1325 24 H -1.8930 -0.8075 -1.0683 H 1 UNL1111111111 0.1400 25 H -1.7757 -1.4596 0.5684 H 1 UNL1111111111 0.1426 26 H -5.2125 0.9340 -0.5578 H 1 UNL1111111111 0.1335 27 H -3.9400 0.6159 -1.7409 H 1 UNL1111111111 0.1369 28 H -3.7431 2.9266 -0.7899 H 1 UNL1111111111 0.1337 29 H -3.6495 2.2788 0.8485 H 1 UNL1111111111 0.1377 30 H -4.1654 -1.8851 -1.3958 H 1 UNL1111111111 0.1297 31 H -1.3763 3.3822 1.1761 H 1 UNL1111111111 0.1443 32 H -0.0750 3.0805 0.0221 H 1 UNL1111111111 0.1534 33 H -1.4750 4.0459 -0.4600 H 1 UNL1111111111 0.1414 34 H -2.8881 -3.1869 0.2825 H 1 UNL1111111111 0.1438 35 H -4.5292 -3.8240 0.2357 H 1 UNL1111111111 0.1413 36 H -4.0352 -2.7708 1.5652 H 1 UNL1111111111 0.1448 37 H -6.3250 -0.8052 -0.8282 H 1 UNL1111111111 0.1409 38 H -6.4324 -2.5059 -0.3861 H 1 UNL1111111111 0.1423 39 H -6.1842 -1.2874 0.8682 H 1 UNL1111111111 0.1447 40 H 0.3808 0.5282 2.4854 H 1 UNL1111111111 0.1532 41 H 0.0936 0.3489 -1.8055 H 1 UNL1111111111 0.1519 42 H 2.8366 0.1397 2.3353 H 1 UNL1111111111 0.1691 43 H 2.5290 -0.0053 -1.9701 H 1 UNL1111111111 0.1597 44 H 4.2229 -1.2941 -1.5246 H 1 UNL1111111111 0.1352 45 H 5.0901 0.2989 -1.5115 H 1 UNL1111111111 0.1487 46 H 6.6197 -1.8737 -1.1565 H 1 UNL1111111111 0.1465 47 H 5.8387 -1.9659 0.4759 H 1 UNL1111111111 0.1348 48 H 6.6477 0.2515 0.7081 H 1 UNL1111111111 0.3239 @BOND 1 1 18 1 2 1 19 1 3 2 20 1 4 2 48 1 5 3 6 1 6 3 7 1 7 3 9 1 8 3 21 1 9 4 5 1 10 4 6 1 11 4 10 1 12 4 22 1 13 5 8 1 14 5 11 1 15 5 23 1 16 6 24 1 17 6 25 1 18 7 8 1 19 7 26 1 20 7 27 1 21 8 28 1 22 8 29 1 23 9 12 1 24 9 13 1 25 9 30 1 26 10 14 ar 27 10 15 ar 28 11 31 1 29 11 32 1 30 11 33 1 31 12 34 1 32 12 35 1 33 12 36 1 34 13 37 1 35 13 38 1 36 13 39 1 37 14 16 ar 38 14 40 1 39 15 17 ar 40 15 41 1 41 16 18 ar 42 16 42 1 43 17 18 ar 44 17 43 1 45 19 20 1 46 19 44 1 47 19 45 1 48 20 46 1 49 20 47 1