@MOLECULE (2s,3s,4r)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4877 0.7085 0.5033 O.3 1 UNL111111111 -0.3212 2 O 0.1266 -1.1639 -1.6146 O.3 1 UNL111111111 -0.5218 3 O 2.2527 -2.6759 -1.0434 O.3 1 UNL111111111 -0.5150 4 O 4.5353 -1.7276 -0.0673 O.3 1 UNL111111111 -0.4157 5 O 4.4707 3.0455 0.3782 O.3 1 UNL111111111 -0.4546 6 O -3.6104 2.2919 -1.3692 O.3 1 UNL111111111 -0.4360 7 O -5.0394 -1.4289 1.1991 O.3 1 UNL111111111 -0.4862 8 O -5.6454 0.7702 -0.3349 O.3 1 UNL111111111 -0.4650 9 C 0.2580 -1.5897 -0.2809 C.3 1 UNL111111111 0.0457 10 C -0.2368 -0.5152 0.7007 C.3 1 UNL111111111 0.0324 11 C 1.7557 -1.8851 0.0039 C.3 1 UNL111111111 0.1474 12 C 2.5038 -0.5992 0.1516 C.ar 1 UNL111111111 -0.3878 13 C 1.8329 0.6098 0.3725 C.ar 1 UNL111111111 0.3458 14 C -1.6737 -0.1645 0.4405 C.ar 1 UNL111111111 0.0534 15 C 3.9024 -0.5460 0.0672 C.ar 1 UNL111111111 0.4198 16 C 2.4894 1.8407 0.4443 C.ar 1 UNL111111111 -0.4160 17 C -2.6633 -0.9851 0.9919 C.ar 1 UNL111111111 -0.3333 18 C -2.0001 0.9342 -0.3464 C.ar 1 UNL111111111 -0.2439 19 C 4.6148 0.6577 0.1304 C.ar 1 UNL111111111 -0.5372 20 C 3.8784 1.8327 0.3098 C.ar 1 UNL111111111 0.4164 21 C -3.3475 1.2174 -0.5941 C.ar 1 UNL111111111 0.2630 22 C -3.9985 -0.6882 0.7310 C.ar 1 UNL111111111 0.2275 23 C -4.3606 0.4112 -0.0557 C.ar 1 UNL111111111 0.0293 24 H -0.3557 -2.5166 -0.2504 H 1 UNL111111111 0.1671 25 H -0.0664 -0.8174 1.7607 H 1 UNL111111111 0.1552 26 H 1.8929 -2.5453 0.8932 H 1 UNL111111111 0.1523 27 H 1.9446 2.7656 0.6071 H 1 UNL111111111 0.2042 28 H 0.3721 -0.2150 -1.7032 H 1 UNL111111111 0.3259 29 H -2.4002 -1.8396 1.6036 H 1 UNL111111111 0.1656 30 H -1.2359 1.5833 -0.7750 H 1 UNL111111111 0.1953 31 H 2.0269 -2.2679 -1.9117 H 1 UNL111111111 0.3266 32 H 5.6903 0.6755 0.0467 H 1 UNL111111111 0.1741 33 H 5.5185 -1.6208 -0.1471 H 1 UNL111111111 0.3214 34 H 5.4549 2.9917 0.2885 H 1 UNL111111111 0.3306 35 H -4.5917 2.4016 -1.5081 H 1 UNL111111111 0.3447 36 H -4.7352 -2.1566 1.7942 H 1 UNL111111111 0.3402 37 H -6.2773 0.1007 0.0396 H 1 UNL111111111 0.3497 @BOND 1 1 10 1 2 1 13 1 3 2 9 1 4 2 28 1 5 3 11 1 6 3 31 1 7 4 15 1 8 4 33 1 9 5 20 1 10 5 34 1 11 6 21 1 12 6 35 1 13 7 22 1 14 7 36 1 15 8 23 1 16 8 37 1 17 9 10 1 18 9 11 1 19 9 24 1 20 10 14 1 21 10 25 1 22 11 12 1 23 11 26 1 24 12 13 ar 25 12 15 ar 26 13 16 ar 27 14 17 ar 28 14 18 ar 29 15 19 ar 30 16 20 ar 31 16 27 1 32 17 22 ar 33 17 29 1 34 18 21 ar 35 18 30 1 36 19 20 ar 37 19 32 1 38 21 23 ar 39 22 23 ar