4-Hydroxyglucobrassicin Mrv2104 02162409492D 30 32 0 0 0 0 999 V2000 -0.4910 0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 -0.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5014 1.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 2.5736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 1.1933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 3.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 3.1568 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 3.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 2.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 3.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 1.0828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4932 1.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 1.8431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8572 2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 2.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 1.0181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6404 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8235 1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 6 9 2 0 0 0 0 6 5 1 0 0 0 0 4 7 1 0 0 0 0 5 4 2 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 13 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 0 0 0 0 23 24 1 0 0 0 0 22 25 1 1 0 0 0 25 26 1 1 0 0 0 19 26 1 1 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 6 30 1 0 0 0 0 15 18 1 0 0 0 0 M END