@MOLECULE (+)-epicatechin-3-o-gallate 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9507 -1.3435 -0.6195 O.3 1 UNL1111111111 -0.2982 2 O -0.2444 -0.0189 1.0003 O.3 1 UNL1111111111 -0.4022 3 O -4.5784 1.9920 1.7018 O.3 1 UNL1111111111 -0.4639 4 O -4.8829 1.3571 -2.9633 O.3 1 UNL1111111111 -0.4596 5 O 2.8148 -2.4692 -1.6601 O.3 1 UNL1111111111 -0.4921 6 O 0.3020 0.9967 2.9309 O.2 1 UNL1111111111 -0.5088 7 O 3.1656 -4.8678 -0.4052 O.3 1 UNL1111111111 -0.4509 8 O 2.2791 1.8998 -2.6127 O.3 1 UNL1111111111 -0.4383 9 O 4.5633 3.4872 1.2374 O.3 1 UNL1111111111 -0.4831 10 O 4.3679 3.2854 -1.4943 O.3 1 UNL1111111111 -0.4628 11 C -1.2147 -0.8291 1.6638 C.3 1 UNL1111111111 0.0956 12 C -1.5228 -1.9226 0.6182 C.3 1 UNL1111111111 0.0716 13 C -2.4770 -0.0120 1.9426 C.3 1 UNL1111111111 -0.2891 14 C -3.1710 0.3234 0.6700 C.ar 1 UNL1111111111 -0.3453 15 C -2.8445 -0.3295 -0.5274 C.ar 1 UNL1111111111 0.3527 16 C -0.2893 -2.7079 0.2868 C.ar 1 UNL1111111111 -0.0515 17 C -4.1477 1.3255 0.6046 C.ar 1 UNL1111111111 0.3893 18 C -3.4112 0.0256 -1.7544 C.ar 1 UNL1111111111 -0.4084 19 C 0.6577 -2.1757 -0.5929 C.ar 1 UNL1111111111 -0.1882 20 C -0.0844 -3.9443 0.8971 C.ar 1 UNL1111111111 -0.1548 21 C -4.7606 1.7100 -0.5893 C.ar 1 UNL1111111111 -0.4649 22 C -4.3603 1.0495 -1.7542 C.ar 1 UNL1111111111 0.3936 23 C 0.4786 0.8502 1.7475 C.2 1 UNL1111111111 0.6080 24 C 1.8212 -2.8917 -0.8282 C.ar 1 UNL1111111111 0.1348 25 C 1.0844 -4.6662 0.6554 C.ar 1 UNL1111111111 -0.2015 26 C 2.0421 -4.1370 -0.2060 C.ar 1 UNL1111111111 0.2118 27 C 1.4831 1.5164 0.8914 C.ar 1 UNL1111111111 -0.0669 28 C 2.5279 2.1941 1.5234 C.ar 1 UNL1111111111 -0.2395 29 C 1.3890 1.4449 -0.4961 C.ar 1 UNL1111111111 -0.1943 30 C 2.3861 2.0415 -1.2715 C.ar 1 UNL1111111111 0.2238 31 C 3.5008 2.8023 0.7352 C.ar 1 UNL1111111111 0.1901 32 C 3.4471 2.7315 -0.6641 C.ar 1 UNL1111111111 0.0815 33 H -0.7685 -1.2495 2.5913 H 1 UNL1111111111 0.1529 34 H -2.3616 -2.5675 0.9728 H 1 UNL1111111111 0.1490 35 H -2.1861 0.9114 2.4961 H 1 UNL1111111111 0.1679 36 H -3.1480 -0.5785 2.6232 H 1 UNL1111111111 0.1546 37 H -3.1308 -0.4785 -2.6750 H 1 UNL1111111111 0.2006 38 H 0.4755 -1.2158 -1.0765 H 1 UNL1111111111 0.1856 39 H -0.8331 -4.3574 1.5717 H 1 UNL1111111111 0.1547 40 H -5.5082 2.4919 -0.5914 H 1 UNL1111111111 0.1874 41 H 1.2595 -5.6300 1.1288 H 1 UNL1111111111 0.1748 42 H -4.0676 1.7569 2.5151 H 1 UNL1111111111 0.3297 43 H -5.5524 2.0836 -2.9084 H 1 UNL1111111111 0.3308 44 H 2.5708 2.2422 2.6113 H 1 UNL1111111111 0.1855 45 H 0.5510 0.9445 -0.9891 H 1 UNL1111111111 0.2018 46 H 2.6764 -1.5304 -1.9434 H 1 UNL1111111111 0.3470 47 H 3.7852 -4.4004 -1.0279 H 1 UNL1111111111 0.3432 48 H 2.9871 2.4191 -3.0845 H 1 UNL1111111111 0.3453 49 H 4.5254 3.5521 2.2248 H 1 UNL1111111111 0.3455 50 H 5.0421 3.8027 -0.9748 H 1 UNL1111111111 0.3553 @BOND 1 1 12 1 2 1 15 1 3 2 11 1 4 2 23 1 5 3 17 1 6 3 42 1 7 4 22 1 8 4 43 1 9 5 24 1 10 5 46 1 11 6 23 2 12 7 26 1 13 7 47 1 14 8 30 1 15 8 48 1 16 9 31 1 17 9 49 1 18 10 32 1 19 10 50 1 20 11 12 1 21 11 13 1 22 11 33 1 23 12 16 1 24 12 34 1 25 13 14 1 26 13 35 1 27 13 36 1 28 14 15 ar 29 14 17 ar 30 15 18 ar 31 16 19 ar 32 16 20 ar 33 17 21 ar 34 18 22 ar 35 18 37 1 36 19 24 ar 37 19 38 1 38 20 25 ar 39 20 39 1 40 21 22 ar 41 21 40 1 42 23 27 1 43 24 26 ar 44 25 26 ar 45 25 41 1 46 27 28 ar 47 27 29 ar 48 28 31 ar 49 28 44 1 50 29 30 ar 51 29 45 1 52 30 32 ar 53 31 32 ar