@MOLECULE 4-{2-[(2s)-1-hydroxy-2-propanyl]-4-[(1e)-1-propen-1-yl]phenoxy}phenol 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0020 0.4027 1.3963 O.3 1 UNL1111111111 -0.3345 2 O -0.5496 3.3173 0.6206 O.3 1 UNL1111111111 -0.5594 3 O -5.3550 -1.6499 -1.1794 O.3 1 UNL1111111111 -0.4737 4 C 0.1673 1.5906 -0.9471 C.3 1 UNL1111111111 -0.1522 5 C 0.9121 0.6386 -0.0577 C.ar 1 UNL1111111111 -0.0480 6 C 0.3578 3.0291 -0.4198 C.3 1 UNL1111111111 0.0044 7 C 0.2853 0.0399 1.0398 C.ar 1 UNL1111111111 0.1424 8 C 0.6121 1.4960 -2.4079 C.3 1 UNL1111111111 -0.4411 9 C 2.2601 0.3420 -0.2635 C.ar 1 UNL1111111111 -0.1662 10 C 2.9449 -0.5310 0.5869 C.ar 1 UNL1111111111 0.0043 11 C 0.9439 -0.8312 1.9055 C.ar 1 UNL1111111111 -0.1756 12 C 2.2853 -1.1115 1.6771 C.ar 1 UNL1111111111 -0.1527 13 C 4.3545 -0.8412 0.3548 C.2 1 UNL1111111111 -0.2084 14 C -2.0195 -0.1840 0.6801 C.ar 1 UNL1111111111 0.1681 15 C -1.8628 -1.3119 -0.1187 C.ar 1 UNL1111111111 -0.1965 16 C -3.2581 0.4489 0.8617 C.ar 1 UNL1111111111 -0.1629 17 C 4.8513 -1.1011 -0.8609 C.2 1 UNL1111111111 -0.0957 18 C -2.9812 -1.8347 -0.7670 C.ar 1 UNL1111111111 -0.2495 19 C -4.3707 -0.0711 0.2213 C.ar 1 UNL1111111111 -0.1833 20 C -4.2124 -1.2076 -0.5855 C.ar 1 UNL1111111111 0.2377 21 C 6.2826 -1.4259 -1.1005 C.3 1 UNL1111111111 -0.4518 22 H -0.9331 1.3600 -0.9103 H 1 UNL1111111111 0.1710 23 H 0.1118 3.7872 -1.1859 H 1 UNL1111111111 0.1401 24 H 1.3807 3.2008 -0.0403 H 1 UNL1111111111 0.1225 25 H 0.6166 0.4545 -2.7525 H 1 UNL1111111111 0.1517 26 H -0.0713 2.0511 -3.0628 H 1 UNL1111111111 0.1513 27 H 1.6172 1.9027 -2.5631 H 1 UNL1111111111 0.1458 28 H 2.7949 0.8036 -1.0931 H 1 UNL1111111111 0.1627 29 H 0.4072 -1.2691 2.7459 H 1 UNL1111111111 0.1749 30 H 2.8228 -1.7861 2.3412 H 1 UNL1111111111 0.1599 31 H 4.9802 -0.8591 1.2480 H 1 UNL1111111111 0.1588 32 H -0.6777 2.5348 1.1979 H 1 UNL1111111111 0.3303 33 H -0.8887 -1.7821 -0.2382 H 1 UNL1111111111 0.1716 34 H -3.3287 1.3327 1.4950 H 1 UNL1111111111 0.1783 35 H 4.2236 -1.0979 -1.7525 H 1 UNL1111111111 0.1443 36 H -2.8872 -2.7133 -1.3966 H 1 UNL1111111111 0.1600 37 H -5.3549 0.3811 0.3289 H 1 UNL1111111111 0.1778 38 H 6.3940 -2.4351 -1.5255 H 1 UNL1111111111 0.1578 39 H 6.7355 -0.7230 -1.8158 H 1 UNL1111111111 0.1574 40 H 6.8913 -1.3924 -0.1868 H 1 UNL1111111111 0.1538 41 H -5.1998 -2.4541 -1.7284 H 1 UNL1111111111 0.3244 @BOND 1 1 7 1 2 1 14 1 3 2 6 1 4 2 32 1 5 3 20 1 6 3 41 1 7 4 5 1 8 4 6 1 9 4 8 1 10 4 22 1 11 5 7 ar 12 5 9 ar 13 6 23 1 14 6 24 1 15 7 11 ar 16 8 25 1 17 8 26 1 18 8 27 1 19 9 10 ar 20 9 28 1 21 10 12 ar 22 10 13 1 23 11 12 ar 24 11 29 1 25 12 30 1 26 13 17 2 27 13 31 1 28 14 15 ar 29 14 16 ar 30 15 18 ar 31 15 33 1 32 16 19 ar 33 16 34 1 34 17 21 1 35 17 35 1 36 18 20 ar 37 18 36 1 38 19 20 ar 39 19 37 1 40 21 38 1 41 21 39 1 42 21 40 1