HMDB0304893 RDKit 3D Pegvaliase-Pqpz 52 51 0 0 0 0 0 0 0 0999 V2000 7.8719 -1.0927 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4252 -1.0528 -2.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -0.0838 -2.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 -0.2257 -1.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5106 -0.1526 -0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4299 -0.2806 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4094 0.7829 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 0.6525 0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -0.6450 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -0.7868 1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7405 0.2170 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 1.1250 0.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 0.2183 2.4224 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9717 1.1686 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 1.1270 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 -0.2665 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 -0.4460 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0954 0.4782 -0.7157 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1158 0.3528 0.2531 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6528 0.2469 -2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9498 0.3011 -3.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9987 -0.0407 -2.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3142 -0.1458 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -1.7833 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1957 -1.5980 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 0.9330 -2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2212 -0.0468 -3.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 0.5861 -2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 -1.1744 -2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8304 -0.1664 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 -1.3226 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 1.7627 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 0.7807 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 1.4789 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 0.7749 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.8049 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 -1.4863 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -0.7928 2.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 -1.8350 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 -0.5321 3.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 2.1686 2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 0.9637 3.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4602 1.8931 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9568 1.4320 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8228 -0.5035 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -0.9586 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 -1.5042 -0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1924 -0.2637 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7085 1.5336 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0076 -0.0672 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8167 0.0039 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4103 -0.9224 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 6 19 50 1 0 19 51 1 0 22 52 1 0 M END