@MOLECULE trans-resveratrol 29 30 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.7584 2.1444 0.3874 O.3 1 UNL11111111 -0.4706 2 O -4.0328 -2.4678 -0.3817 O.3 1 UNL11111111 -0.4691 3 O 6.2190 0.2924 -0.0342 O.3 1 UNL11111111 -0.4694 4 C -1.6628 0.2258 -0.0460 C.ar 1 UNL11111111 0.1518 5 C 2.1334 -0.2636 0.0728 C.ar 1 UNL11111111 -0.0932 6 C -0.2221 0.4619 -0.0746 C.2 1 UNL11111111 -0.2007 7 C 0.6967 -0.4968 0.1307 C.2 1 UNL11111111 -0.0999 8 C -2.2039 -1.0440 -0.2327 C.ar 1 UNL11111111 -0.3333 9 C -2.5083 1.3259 0.1622 C.ar 1 UNL11111111 -0.4022 10 C -3.8880 1.1241 0.1885 C.ar 1 UNL11111111 0.3686 11 C -3.5966 -1.1975 -0.1976 C.ar 1 UNL11111111 0.3596 12 C 2.6536 0.8517 -0.5930 C.ar 1 UNL11111111 -0.0659 13 C 3.0092 -1.1789 0.6801 C.ar 1 UNL11111111 -0.0764 14 C -4.4719 -0.1333 0.0103 C.ar 1 UNL11111111 -0.4213 15 C 4.0248 1.0733 -0.6487 C.ar 1 UNL11111111 -0.3156 16 C 4.3810 -0.9812 0.6372 C.ar 1 UNL11111111 -0.2503 17 C 4.8689 0.1508 -0.0280 C.ar 1 UNL11111111 0.2987 18 H 0.0724 1.4964 -0.2661 H 1 UNL11111111 0.1582 19 H 0.3965 -1.5233 0.3623 H 1 UNL11111111 0.1579 20 H -1.5804 -1.9123 -0.4123 H 1 UNL11111111 0.1822 21 H -2.0883 2.3123 0.3054 H 1 UNL11111111 0.1665 22 H 1.9779 1.5568 -1.0844 H 1 UNL11111111 0.1551 23 H 2.6094 -2.0550 1.1939 H 1 UNL11111111 0.1563 24 H -5.5476 -0.2499 0.0390 H 1 UNL11111111 0.1852 25 H 4.4265 1.9386 -1.1622 H 1 UNL11111111 0.1613 26 H 5.0755 -1.6767 1.1014 H 1 UNL11111111 0.1773 27 H -4.2986 3.0113 0.5100 H 1 UNL11111111 0.3300 28 H -5.0180 -2.5381 -0.3470 H 1 UNL11111111 0.3308 29 H 6.5048 1.1077 -0.5134 H 1 UNL11111111 0.3283 @BOND 1 25 15 1 2 22 12 1 3 15 12 ar 4 15 17 ar 5 12 5 ar 6 29 3 1 7 20 8 1 8 2 28 1 9 2 11 1 10 18 6 1 11 8 11 ar 12 8 4 ar 13 11 14 ar 14 6 4 1 15 6 7 2 16 4 9 ar 17 3 17 1 18 17 16 ar 19 14 24 1 20 14 10 ar 21 5 7 1 22 5 13 ar 23 7 19 1 24 9 10 ar 25 9 21 1 26 10 1 1 27 1 27 1 28 16 13 ar 29 16 26 1 30 13 23 1