HMDB0246180 RDKit 3D (His(1-ME)2)-trh 51 53 0 0 0 0 0 0 0 0999 V2000 -1.3098 4.4652 -2.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 3.1897 -1.9019 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 2.0683 -2.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4045 1.1159 -1.6455 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 1.6310 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 1.0250 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 -0.4273 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9782 -1.2218 0.1605 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -2.2499 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4409 -2.4898 2.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -3.0907 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 -2.1738 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 -2.4010 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6749 -3.8585 1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5739 -4.7197 1.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -4.0725 1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3322 -0.6250 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 -1.3734 -0.8027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -0.0860 0.6605 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 0.7707 1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 0.5909 2.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 0.5522 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8722 -0.2592 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 0.0798 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8097 0.5621 -2.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 -0.0681 -1.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 2.9526 -0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 5.2732 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 4.7156 -3.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 4.4533 -2.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 2.0088 -3.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 1.5662 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 1.0574 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0614 -0.7991 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.0029 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 -3.5915 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 -2.5399 -1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5321 -1.1252 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5718 -1.8784 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9035 -2.1691 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -4.8391 1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.4821 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6323 1.8437 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 1.4447 2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 -0.3931 2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 1.6078 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8523 0.0781 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -1.3289 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 0.0782 -2.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 1.4789 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 3.6925 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 7 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 5 27 2 0 27 2 1 0 16 11 1 0 23 19 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 16 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 25 49 1 0 25 50 1 0 27 51 1 0 M END