@MOLECULE (1r,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(1e)-3-hydroxy-1-propen-1-yl]-2-methoxyphenoxy}-1,3-propanediol 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0118 -0.3570 0.0047 O.3 1 UNL1111111111 -0.3333 2 O 1.8893 1.7340 -2.2654 O.3 1 UNL1111111111 -0.5402 3 O 0.4832 -2.2269 -2.0933 O.3 1 UNL1111111111 -0.5524 4 O 6.0835 0.0954 -0.6493 O.3 1 UNL1111111111 -0.2994 5 O -1.3780 -2.5275 0.4755 O.3 1 UNL1111111111 -0.2926 6 O 5.9173 0.1495 2.2056 O.3 1 UNL1111111111 -0.4777 7 O -8.2820 2.1436 0.6144 O.3 1 UNL1111111111 -0.5339 8 C 0.5480 0.0245 -1.2597 C.3 1 UNL1111111111 -0.0038 9 C 1.4201 1.2805 -1.0056 C.3 1 UNL1111111111 0.1183 10 C 2.6276 0.9777 -0.1660 C.ar 1 UNL1111111111 -0.0403 11 C 1.3649 -1.1977 -1.7034 C.3 1 UNL1111111111 -0.0134 12 C 3.8570 0.6967 -0.7507 C.ar 1 UNL1111111111 -0.1774 13 C 2.4818 0.9649 1.2226 C.ar 1 UNL1111111111 -0.1408 14 C -1.3720 -0.2331 0.0653 C.ar 1 UNL1111111111 0.1148 15 C 4.9616 0.4046 0.0550 C.ar 1 UNL1111111111 0.1477 16 C 3.5754 0.6851 2.0367 C.ar 1 UNL1111111111 -0.2445 17 C -2.1228 -1.3968 0.3505 C.ar 1 UNL1111111111 0.1784 18 C 4.8109 0.4115 1.4523 C.ar 1 UNL1111111111 0.1611 19 C -2.0055 0.9953 -0.0677 C.ar 1 UNL1111111111 -0.1829 20 C -3.5027 -1.3172 0.4684 C.ar 1 UNL1111111111 -0.2729 21 C -4.1440 -0.0795 0.3111 C.ar 1 UNL1111111111 0.0266 22 C -3.3930 1.0697 0.0574 C.ar 1 UNL1111111111 -0.1796 23 C -5.5996 -0.0432 0.4243 C.2 1 UNL1111111111 -0.1593 24 C 7.3225 0.2399 0.0352 C.3 1 UNL1111111111 -0.1952 25 C -2.0860 -3.7297 0.7561 C.3 1 UNL1111111111 -0.2105 26 C -6.3670 0.9151 -0.1056 C.2 1 UNL1111111111 -0.1933 27 C -7.8558 0.9219 0.0386 C.3 1 UNL1111111111 -0.0128 28 H -0.2424 0.2464 -2.0098 H 1 UNL1111111111 0.1426 29 H 0.8155 2.0954 -0.5421 H 1 UNL1111111111 0.1301 30 H 1.9594 -0.9863 -2.6123 H 1 UNL1111111111 0.1601 31 H 2.0265 -1.5633 -0.8952 H 1 UNL1111111111 0.1414 32 H 3.9782 0.7094 -1.8393 H 1 UNL1111111111 0.1918 33 H 1.5045 1.1514 1.6691 H 1 UNL1111111111 0.1647 34 H 1.1472 2.0791 -2.8050 H 1 UNL1111111111 0.3136 35 H 3.4638 0.6745 3.1155 H 1 UNL1111111111 0.1580 36 H -1.4245 1.8926 -0.2689 H 1 UNL1111111111 0.1640 37 H -4.0974 -2.2048 0.6645 H 1 UNL1111111111 0.1678 38 H -0.1033 -2.4569 -1.3376 H 1 UNL1111111111 0.3296 39 H -3.8870 2.0347 -0.0459 H 1 UNL1111111111 0.1603 40 H -6.0416 -0.8803 0.9727 H 1 UNL1111111111 0.1534 41 H 5.7134 0.1948 3.1713 H 1 UNL1111111111 0.3246 42 H 7.4641 -0.5992 0.7257 H 1 UNL1111111111 0.1449 43 H 7.3851 1.1952 0.5654 H 1 UNL1111111111 0.1374 44 H 8.0504 0.2007 -0.7844 H 1 UNL1111111111 0.1428 45 H -2.7525 -3.9885 -0.0711 H 1 UNL1111111111 0.1369 46 H -2.6263 -3.6558 1.7041 H 1 UNL1111111111 0.1379 47 H -1.2674 -4.4570 0.8382 H 1 UNL1111111111 0.1596 48 H -5.9646 1.7582 -0.6659 H 1 UNL1111111111 0.1628 49 H -8.2500 0.0866 0.6462 H 1 UNL1111111111 0.1210 50 H -8.3683 0.9249 -0.9463 H 1 UNL1111111111 0.1521 51 H -7.8273 2.2948 1.4677 H 1 UNL1111111111 0.3121 @BOND 1 1 8 1 2 1 14 1 3 2 9 1 4 2 34 1 5 3 11 1 6 3 38 1 7 4 15 1 8 4 24 1 9 5 17 1 10 5 25 1 11 6 18 1 12 6 41 1 13 7 27 1 14 7 51 1 15 8 9 1 16 8 11 1 17 8 28 1 18 9 10 1 19 9 29 1 20 10 12 ar 21 10 13 ar 22 11 30 1 23 11 31 1 24 12 15 ar 25 12 32 1 26 13 16 ar 27 13 33 1 28 14 17 ar 29 14 19 ar 30 15 18 ar 31 16 18 ar 32 16 35 1 33 17 20 ar 34 19 22 ar 35 19 36 1 36 20 21 ar 37 20 37 1 38 21 22 ar 39 21 23 1 40 22 39 1 41 23 26 2 42 23 40 1 43 24 42 1 44 24 43 1 45 24 44 1 46 25 45 1 47 25 46 1 48 25 47 1 49 26 27 1 50 26 48 1 51 27 49 1 52 27 50 1