@MOLECULE (1s,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2r,3s)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol 83 86 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1765 0.0771 2.5068 O.3 1 UNL11 -0.2772 2 O 2.1105 -3.9234 0.1133 O.3 1 UNL11 -0.5501 3 O 4.4273 1.6350 2.6637 O.3 1 UNL11 -0.2696 4 O -3.3842 2.1890 0.5315 O.3 1 UNL11 -0.3181 5 O -3.7334 0.0336 1.8677 O.3 1 UNL11 -0.2580 6 O -0.8754 3.0610 -0.1802 O.3 1 UNL11 -0.3070 7 O -4.1792 1.9457 -2.9940 O.3 1 UNL11 -0.5530 8 O 7.9623 1.5014 -3.6089 O.3 1 UNL11 -0.5535 9 O -5.5708 3.7145 0.0139 O.3 1 UNL11 -0.5468 10 O -1.2363 -1.9860 -1.7236 O.3 1 UNL11 -0.3119 11 O -3.1268 -3.7968 -0.6610 O.3 1 UNL11 -0.3183 12 C 1.6835 -1.6746 0.8856 C.3 1 UNL11 -0.1952 13 C 1.1281 -0.8374 2.0818 C.3 1 UNL11 0.0739 14 C 3.0248 -1.0476 0.6592 C.ar 1 UNL11 -0.0675 15 C 3.2145 -0.0594 1.6301 C.ar 1 UNL11 0.0908 16 C 1.7815 -3.1591 1.2528 C.3 1 UNL11 0.0017 17 C -0.0541 -0.0162 1.6628 C.ar 1 UNL11 0.0490 18 C 3.9935 -1.2828 -0.3036 C.ar 1 UNL11 -0.2159 19 C 5.1753 -0.5371 -0.2543 C.ar 1 UNL11 0.0366 20 C 4.3840 0.7069 1.6742 C.ar 1 UNL11 0.1684 21 C 5.3723 0.4436 0.7265 C.ar 1 UNL11 -0.2799 22 C 0.1493 1.1403 0.9195 C.ar 1 UNL11 -0.2961 23 C -1.3361 -0.4372 2.0148 C.ar 1 UNL11 -0.3321 24 C 6.2641 -0.7923 -1.2537 C.3 1 UNL11 -0.2848 25 C -2.4348 0.3105 1.5902 C.ar 1 UNL11 0.2298 26 C -0.9531 1.8924 0.5106 C.ar 1 UNL11 0.2067 27 C -2.2587 1.4747 0.8118 C.ar 1 UNL11 0.0246 28 C 6.4956 0.4409 -2.1346 C.3 1 UNL11 -0.2809 29 C -3.5520 2.6382 -0.8134 C.3 1 UNL11 0.0041 30 C -4.3971 1.6297 -1.6310 C.3 1 UNL11 0.1150 31 C 7.6840 0.2149 -3.0729 C.3 1 UNL11 -0.0001 32 C -4.3281 3.9536 -0.6130 C.3 1 UNL11 -0.0175 33 C 5.5503 2.5076 2.6600 C.3 1 UNL11 -0.2146 34 C -4.0685 0.1918 -1.3530 C.ar 1 UNL11 -0.0487 35 C -3.9845 -1.1532 2.6109 C.3 1 UNL11 -0.2187 36 C 0.3962 3.4008 -0.7207 C.3 1 UNL11 -0.2012 37 C -2.7958 -0.3096 -1.6282 C.ar 1 UNL11 -0.2227 38 C -5.0541 -0.6491 -0.8429 C.ar 1 UNL11 -0.1346 39 C -2.5096 -1.6553 -1.3879 C.ar 1 UNL11 0.1734 40 C -4.7792 -1.9965 -0.6060 C.ar 1 UNL11 -0.2326 41 C -3.5140 -2.5035 -0.8733 C.ar 1 UNL11 0.1094 42 C -0.7397 -3.2500 -1.3044 C.3 1 UNL11 -0.1910 43 C -4.1364 -4.7048 -0.2450 C.3 1 UNL11 -0.2049 44 H 1.0320 -1.5610 -0.0184 H 1 UNL11 0.1961 45 H 0.9364 -1.4435 2.9904 H 1 UNL11 0.1500 46 H 2.5230 -3.3454 2.0494 H 1 UNL11 0.1222 47 H 0.7998 -3.5736 1.5532 H 1 UNL11 0.1426 48 H 3.8327 -2.0155 -1.0878 H 1 UNL11 0.1575 49 H 6.3052 1.0008 0.7377 H 1 UNL11 0.1677 50 H 1.1631 1.4549 0.6833 H 1 UNL11 0.1808 51 H -1.4719 -1.3359 2.6046 H 1 UNL11 0.1660 52 H 7.1997 -1.0634 -0.7191 H 1 UNL11 0.1516 53 H 6.0273 -1.6678 -1.8904 H 1 UNL11 0.1466 54 H 6.6857 1.3424 -1.5170 H 1 UNL11 0.1605 55 H 5.5863 0.6813 -2.7183 H 1 UNL11 0.1570 56 H 3.0195 -3.7132 -0.1870 H 1 UNL11 0.3174 57 H -2.5866 2.8209 -1.3276 H 1 UNL11 0.1582 58 H -5.4901 1.8433 -1.5107 H 1 UNL11 0.1749 59 H 7.4403 -0.4758 -3.8979 H 1 UNL11 0.1104 60 H 8.5784 -0.1447 -2.5338 H 1 UNL11 0.1102 61 H -3.7523 4.6673 0.0041 H 1 UNL11 0.1297 62 H -4.6029 4.4126 -1.5816 H 1 UNL11 0.1537 63 H 5.3285 3.1639 3.5135 H 1 UNL11 0.1567 64 H 5.5962 3.0853 1.7333 H 1 UNL11 0.1367 65 H 6.4779 1.9550 2.8354 H 1 UNL11 0.1328 66 H -3.6353 -2.0386 2.0692 H 1 UNL11 0.1364 67 H -3.5434 -1.0888 3.6098 H 1 UNL11 0.1346 68 H -5.0808 -1.1525 2.6733 H 1 UNL11 0.1513 69 H 1.1042 3.6353 0.0811 H 1 UNL11 0.1379 70 H 0.7792 2.6065 -1.3688 H 1 UNL11 0.1379 71 H 0.1645 4.3014 -1.3036 H 1 UNL11 0.1486 72 H -2.0051 0.3347 -2.0099 H 1 UNL11 0.1728 73 H -6.0466 -0.2583 -0.6230 H 1 UNL11 0.1604 74 H -3.4299 1.4408 -3.3680 H 1 UNL11 0.3173 75 H 8.6980 1.4530 -4.2460 H 1 UNL11 0.3092 76 H -5.4391 3.1566 0.8112 H 1 UNL11 0.3273 77 H -5.5667 -2.6344 -0.2158 H 1 UNL11 0.1575 78 H -0.8601 -3.3876 -0.2258 H 1 UNL11 0.1381 79 H -1.2201 -4.0588 -1.8632 H 1 UNL11 0.1376 80 H 0.3270 -3.1844 -1.5638 H 1 UNL11 0.1586 81 H -3.5878 -5.6551 -0.2029 H 1 UNL11 0.1499 82 H -4.9443 -4.7641 -0.9805 H 1 UNL11 0.1362 83 H -4.5174 -4.4381 0.7450 H 1 UNL11 0.1283 @BOND 1 1 13 1 2 1 15 1 3 2 16 1 4 2 56 1 5 3 20 1 6 3 33 1 7 4 27 1 8 4 29 1 9 5 25 1 10 5 35 1 11 6 26 1 12 6 36 1 13 7 30 1 14 7 74 1 15 8 31 1 16 8 75 1 17 9 32 1 18 9 76 1 19 10 39 1 20 10 42 1 21 11 41 1 22 11 43 1 23 12 13 1 24 12 14 1 25 12 16 1 26 12 44 1 27 13 17 1 28 13 45 1 29 14 15 ar 30 14 18 ar 31 15 20 ar 32 16 46 1 33 16 47 1 34 17 22 ar 35 17 23 ar 36 18 19 ar 37 18 48 1 38 19 21 ar 39 19 24 1 40 20 21 ar 41 21 49 1 42 22 26 ar 43 22 50 1 44 23 25 ar 45 23 51 1 46 24 28 1 47 24 52 1 48 24 53 1 49 25 27 ar 50 26 27 ar 51 28 31 1 52 28 54 1 53 28 55 1 54 29 30 1 55 29 32 1 56 29 57 1 57 30 34 1 58 30 58 1 59 31 59 1 60 31 60 1 61 32 61 1 62 32 62 1 63 33 63 1 64 33 64 1 65 33 65 1 66 34 37 ar 67 34 38 ar 68 35 66 1 69 35 67 1 70 35 68 1 71 36 69 1 72 36 70 1 73 36 71 1 74 37 39 ar 75 37 72 1 76 38 40 ar 77 38 73 1 78 39 41 ar 79 40 41 ar 80 40 77 1 81 42 78 1 82 42 79 1 83 42 80 1 84 43 81 1 85 43 82 1 86 43 83 1