Cyanidin 3-0-sambubioside Mrv2104 06072104312D 41 45 0 0 1 0 999 V2000 8.3160 1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6015 2.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 1.9116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8870 1.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 0.6741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1725 -0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6015 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4594 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6015 -1.8009 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.8870 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 -2.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 -3.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 -3.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -2.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 -3.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 1.0866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7436 0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 1.0866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0291 1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 2.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 1.9116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8857 2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 1.0866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8857 0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 0.6741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3147 -0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 1.9116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7436 2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 2.3241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1725 3.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 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 16 17 1 0 0 0 0 17 18 2 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 19 26 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 6 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 29 36 1 0 0 0 0 36 37 1 6 0 0 0 27 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 3 40 1 0 0 0 0 40 41 1 6 0 0 0 M CHG 1 17 1 M END