@MOLECULE (3r,4s)-3-(4-hydroxy-3-methoxybenzyl)-4-methoxy-3,7-chromanediol 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7361 -0.4254 1.2501 O.3 1 UNL1111111111 -0.3047 2 O 0.0130 2.9772 0.0856 O.3 1 UNL1111111111 -0.5492 3 O 2.5391 2.4456 0.6120 O.3 1 UNL1111111111 -0.4136 4 O 3.8515 -3.6474 0.1194 O.3 1 UNL1111111111 -0.4667 5 O -3.9627 -2.1463 -0.0116 O.3 1 UNL1111111111 -0.3478 6 O -5.6400 -0.0828 0.4532 O.3 1 UNL1111111111 -0.4573 7 C 0.4570 1.6485 -0.0557 C.3 1 UNL1111111111 0.2535 8 C 1.9754 1.6234 -0.4076 C.3 1 UNL1111111111 0.0592 9 C -0.3797 1.0642 -1.2044 C.3 1 UNL1111111111 -0.3090 10 C 0.2858 0.9271 1.2906 C.3 1 UNL1111111111 -0.1000 11 C 2.4906 0.2270 -0.3105 C.ar 1 UNL1111111111 -0.2809 12 C 1.8562 -0.6899 0.5448 C.ar 1 UNL1111111111 0.3290 13 C -1.7739 0.7380 -0.7673 C.ar 1 UNL1111111111 0.0058 14 C 3.6036 -0.1895 -1.0383 C.ar 1 UNL1111111111 -0.0073 15 C 2.3134 -2.0045 0.6871 C.ar 1 UNL1111111111 -0.3644 16 C -2.1493 -0.6011 -0.6042 C.ar 1 UNL1111111111 -0.2355 17 C -2.6833 1.7639 -0.5163 C.ar 1 UNL1111111111 -0.1493 18 C 4.0930 -1.4855 -0.9200 C.ar 1 UNL1111111111 -0.3870 19 C 3.4358 -2.3688 -0.0525 C.ar 1 UNL1111111111 0.3592 20 C 3.8959 2.7815 0.4059 C.3 1 UNL1111111111 -0.1855 21 C -3.4404 -0.8966 -0.1928 C.ar 1 UNL1111111111 0.1040 22 C -3.9835 1.4732 -0.1053 C.ar 1 UNL1111111111 -0.2004 23 C -4.3605 0.1438 0.0540 C.ar 1 UNL1111111111 0.1890 24 C -3.0279 -3.2146 0.0527 C.3 1 UNL1111111111 -0.1860 25 H 2.1646 2.0895 -1.3977 H 1 UNL1111111111 0.1367 26 H 0.1299 0.1687 -1.6166 H 1 UNL1111111111 0.1622 27 H -0.4089 1.8039 -2.0361 H 1 UNL1111111111 0.1719 28 H 0.8401 1.4422 2.0967 H 1 UNL1111111111 0.1516 29 H -0.7782 0.8087 1.5770 H 1 UNL1111111111 0.1751 30 H 0.6670 3.5066 0.5956 H 1 UNL1111111111 0.3346 31 H 4.0975 0.5095 -1.7157 H 1 UNL1111111111 0.1476 32 H 1.8196 -2.7071 1.3512 H 1 UNL1111111111 0.1981 33 H -1.4268 -1.3909 -0.7917 H 1 UNL1111111111 0.1686 34 H -2.3679 2.8031 -0.6279 H 1 UNL1111111111 0.1747 35 H 4.9604 -1.8035 -1.4836 H 1 UNL1111111111 0.1640 36 H 4.0292 3.3301 -0.5310 H 1 UNL1111111111 0.1199 37 H 4.5253 1.8849 0.4316 H 1 UNL1111111111 0.1316 38 H 4.1207 3.4252 1.2665 H 1 UNL1111111111 0.1464 39 H -4.7025 2.2643 0.0963 H 1 UNL1111111111 0.1745 40 H 4.6585 -3.8555 -0.4119 H 1 UNL1111111111 0.3291 41 H -5.8096 -1.0525 0.5662 H 1 UNL1111111111 0.3355 42 H -3.6634 -4.0641 0.3356 H 1 UNL1111111111 0.1483 43 H -2.2658 -3.0304 0.8173 H 1 UNL1111111111 0.1407 44 H -2.5754 -3.3831 -0.9297 H 1 UNL1111111111 0.1339 @BOND 1 1 10 1 2 1 12 1 3 2 7 1 4 2 30 1 5 3 8 1 6 3 20 1 7 4 19 1 8 4 40 1 9 5 21 1 10 5 24 1 11 6 23 1 12 6 41 1 13 7 8 1 14 7 9 1 15 7 10 1 16 8 11 1 17 8 25 1 18 9 13 1 19 9 26 1 20 9 27 1 21 10 28 1 22 10 29 1 23 11 12 ar 24 11 14 ar 25 12 15 ar 26 13 16 ar 27 13 17 ar 28 14 18 ar 29 14 31 1 30 15 19 ar 31 15 32 1 32 16 21 ar 33 16 33 1 34 17 22 ar 35 17 34 1 36 18 19 ar 37 18 35 1 38 20 36 1 39 20 37 1 40 20 38 1 41 21 23 ar 42 22 23 ar 43 22 39 1 44 24 42 1 45 24 43 1 46 24 44 1