HMDB0032855 RDKit 3D N-Chloroacetyl-2,6-diethylaniline 31 31 0 0 0 0 0 0 0 0999 V2000 -2.6334 0.0662 1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5185 0.2045 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 0.9066 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 2.2344 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 2.9648 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 2.3531 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 1.0147 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 0.4084 -0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9437 0.3475 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 0.2835 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -1.0909 0.1468 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -2.1512 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -1.9171 -1.9842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 -3.5516 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 -3.6971 1.4263 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -0.9694 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 0.3196 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 0.7534 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 0.7850 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 -0.7948 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 2.7095 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 3.9981 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 2.8882 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 1.0248 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -0.6472 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 1.3965 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -0.1616 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -0.1738 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1866 -1.2892 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -4.1333 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -4.0815 -0.8214 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 10 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 14 30 1 0 14 31 1 0 M END