@MOLECULE (1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.4466 3.0992 1.8305 C.3 1 UNL1111111111 -0.2147 2 C -4.9373 0.8982 -2.1063 C.3 1 UNL1111111111 -0.2155 3 C -2.4431 1.6451 2.5722 C.3 1 UNL1111111111 -0.2138 4 O 2.6824 -2.6320 1.6937 O.3 1 UNL1111111111 -0.5201 5 O -0.0990 -3.7212 0.1853 O.3 1 UNL1111111111 -0.5658 6 C 3.7306 2.3433 -1.6314 C.ar 1 UNL1111111111 -0.1545 7 C 3.6614 1.0817 -2.1974 C.ar 1 UNL1111111111 -0.1430 8 C 2.9956 2.6464 -0.4766 C.ar 1 UNL1111111111 -0.2431 9 C 2.8684 0.0832 -1.6151 C.ar 1 UNL1111111111 -0.2576 10 C -1.6966 -1.6294 -1.1489 C.ar 1 UNL1111111111 -0.1662 11 C -2.7444 -0.7858 -1.5386 C.ar 1 UNL1111111111 -0.2405 12 C -1.5770 -0.5177 0.9989 C.ar 1 UNL1111111111 -0.2236 13 C 2.5828 -2.5862 0.2903 C.3 1 UNL1111111111 -0.0410 14 O 1.4237 1.8205 1.2110 O.3 1 UNL1111111111 -0.2737 15 O -4.1822 1.0967 -0.9182 O.3 1 UNL1111111111 -0.2732 16 O -3.1434 1.3201 1.3772 O.3 1 UNL1111111111 -0.2763 17 O 1.3453 -0.4858 0.2176 O.3 1 UNL1111111111 -0.2918 18 C -1.1256 -1.5024 0.1084 C.ar 1 UNL1111111111 -0.0626 19 C 2.2043 1.6706 0.1056 C.ar 1 UNL1111111111 0.1555 20 C -3.1994 0.1911 -0.6672 C.ar 1 UNL1111111111 0.1563 21 C -2.6021 0.3311 0.6171 C.ar 1 UNL1111111111 0.1599 22 C 2.1528 0.3657 -0.4632 C.ar 1 UNL1111111111 0.1734 23 C 0.0350 -2.3584 0.5255 C.3 1 UNL1111111111 0.1424 24 C 1.3225 -1.8534 -0.1864 C.3 1 UNL1111111111 0.0026 25 H 1.0552 3.8682 1.1572 H 1 UNL1111111111 0.1351 26 H 0.7702 2.9521 2.6830 H 1 UNL1111111111 0.1491 27 H 2.4513 3.3494 2.1840 H 1 UNL1111111111 0.1333 28 H -4.3185 1.0656 -2.9932 H 1 UNL1111111111 0.1346 29 H -5.4040 -0.0909 -2.1213 H 1 UNL1111111111 0.1340 30 H -5.7034 1.6816 -2.0207 H 1 UNL1111111111 0.1547 31 H -3.0018 2.5192 2.9316 H 1 UNL1111111111 0.1501 32 H -2.5070 0.8256 3.2946 H 1 UNL1111111111 0.1344 33 H -1.4019 1.9134 2.3607 H 1 UNL1111111111 0.1426 34 H 1.9744 -3.1985 2.0669 H 1 UNL1111111111 0.3109 35 H -0.8173 -3.8694 -0.4612 H 1 UNL1111111111 0.3283 36 H 4.3542 3.1128 -2.0803 H 1 UNL1111111111 0.1488 37 H 4.2242 0.8534 -3.0996 H 1 UNL1111111111 0.1487 38 H 3.0593 3.6448 -0.0553 H 1 UNL1111111111 0.1598 39 H 2.8263 -0.8967 -2.0794 H 1 UNL1111111111 0.1593 40 H -1.3280 -2.3693 -1.8561 H 1 UNL1111111111 0.1472 41 H -3.1768 -0.8983 -2.5283 H 1 UNL1111111111 0.1618 42 H -1.0962 -0.4147 1.9700 H 1 UNL1111111111 0.1749 43 H 3.5007 -2.0346 0.0031 H 1 UNL1111111111 0.1538 44 H 2.6146 -3.6148 -0.1157 H 1 UNL1111111111 0.1309 45 H 0.1695 -2.3763 1.6338 H 1 UNL1111111111 0.1556 46 H 1.2059 -1.9350 -1.2884 H 1 UNL1111111111 0.1393 @BOND 1 1 14 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 15 1 6 2 28 1 7 2 29 1 8 2 30 1 9 3 31 1 10 3 32 1 11 3 33 1 12 4 34 1 13 5 35 1 14 6 8 ar 15 6 7 ar 16 6 36 1 17 7 9 ar 18 7 37 1 19 8 19 ar 20 8 38 1 21 9 22 ar 22 9 39 1 23 10 18 ar 24 10 11 ar 25 10 40 1 26 11 20 ar 27 11 41 1 28 12 21 ar 29 12 42 1 30 13 4 1 31 13 24 1 32 13 43 1 33 13 44 1 34 16 3 1 35 17 24 1 36 18 12 ar 37 19 14 1 38 19 22 ar 39 20 15 1 40 20 21 ar 41 21 16 1 42 22 17 1 43 23 5 1 44 23 18 1 45 23 45 1 46 24 23 1 47 24 46 1