Vanillic acid Mrv1652304062013122D 28 30 0 0 0 0 999 V2000 3.7714 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7714 -1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4859 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4859 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7714 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4915 -0.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9148 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -3.1232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3425 -2.7107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6280 -3.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6280 -3.9483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3425 -4.3608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0570 -3.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 -5.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -5.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -5.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 -4.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 14 10 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 8 16 1 0 0 0 0 17 7 1 1 0 0 0 22 17 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 1 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 20 26 1 6 0 0 0 19 27 1 1 0 0 0 18 28 1 6 0 0 0 M END