HMDB0028705 RDKit 3D Arginylaspartic acid 39 38 0 0 0 0 0 0 0 0999 V2000 -5.9989 0.2272 1.5897 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2019 0.6322 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9789 2.0209 0.5043 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5395 -0.2866 -0.1419 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 -0.6620 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 0.5265 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8358 0.3546 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1421 -0.6854 -0.6219 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6682 -2.0143 -0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 -0.6445 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -1.6955 0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 0.5277 -0.5791 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 0.7859 -0.3707 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1972 -0.3957 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 -0.8300 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 -0.1168 2.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 -2.0240 2.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1512 1.3989 -1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5251 1.6627 -2.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4822 1.7047 -1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2415 -0.7399 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0657 2.6599 1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7318 2.4482 -0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9962 -0.7083 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0992 -0.9769 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 -1.5411 -0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4595 0.8461 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 1.3946 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 1.3361 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 0.1304 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 -0.4281 -1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 -2.2034 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -2.6740 -0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 1.3641 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 1.4993 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -1.2428 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2813 -0.1238 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 -2.8269 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 1.3001 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 6 9 32 1 0 9 33 1 0 12 34 1 0 13 35 1 1 14 36 1 0 14 37 1 0 17 38 1 0 20 39 1 0 M END