HMDB0302632 RDKit 3D Esterase 26 25 0 0 0 0 0 0 0 0999 V2000 0.7644 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 0.3089 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 0.6737 0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7163 -0.2958 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -1.4932 0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 -0.0685 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 1.1605 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 1.2867 -1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 0.6161 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.7447 0.0732 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 -1.0544 1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6635 -1.1511 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 0.8897 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 0.5415 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1223 -0.7829 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6837 2.0030 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 2.3463 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 0.7666 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 1.2085 0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 0.6769 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 -2.0289 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 -1.0758 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -0.2778 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.0313 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -1.4741 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 6 1 0 1 13 1 0 2 14 1 0 2 15 1 0 2 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 11 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 M END