HMDB0248574 RDKit 3D Arginyl-glycyl-aspartyl-valine 62 61 0 0 0 0 0 0 0 0999 V2000 -6.6595 -1.4056 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6372 -0.6374 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0896 0.7635 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3742 -0.5692 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 0.1828 0.4701 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 1.1725 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 1.3892 -1.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 1.9812 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 1.7158 1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 2.0391 2.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 2.5296 1.9984 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 1.8048 3.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.1246 -0.3505 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 3.0982 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1221 3.9293 -1.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 3.2003 -2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 2.2347 -1.8407 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 0.8433 -2.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 0.2589 -2.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1138 -0.0189 -1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 0.8159 -1.5462 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 -0.5120 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 -1.3954 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -0.8376 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0775 -1.7780 1.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -2.8808 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3852 -3.5774 1.6905 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3324 -3.5144 -0.4941 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 -1.9399 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -2.2992 -0.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6214 -2.8634 -1.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5361 -1.1929 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7028 -1.0657 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 -2.4780 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4798 -1.2601 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5407 1.4743 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9262 1.0175 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1524 0.8305 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5826 -0.0924 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -0.0401 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 3.0813 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 2.3225 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 0.6480 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 0.8806 4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 1.4304 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 3.2018 -3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 4.2265 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 2.5862 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2903 -0.7856 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3592 1.3441 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 1.2773 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 0.4026 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 -1.0759 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 -2.3349 -0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.7199 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 0.0887 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 -0.6384 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 -3.6329 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 -4.0227 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7205 -3.1371 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 -4.3906 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 -2.8000 -2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 4 29 1 0 29 30 2 0 29 31 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 12 44 1 0 13 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 24 57 1 0 27 58 1 0 27 59 1 0 28 60 1 0 28 61 1 0 31 62 1 0 M END