Urocanic acid.mol Mrv0541 02231218252D 29 30 0 0 0 0 999 V2000 -1.0489 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 0.5635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2610 1.2309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0061 2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0456 0.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7131 1.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0456 0.1510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2610 -0.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7131 -0.3339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1342 -0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 -1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7154 -1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -1.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 1.2780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 1.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 1.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 2.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 0.0405 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.7154 -0.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4134 0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -1.3885 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.4134 -2.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7154 -0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 7 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 9 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 20 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 1 19 1 0 0 0 0 M END