HMDB0028800 RDKit 3D Glutaminylisoleucine 39 38 0 0 0 0 0 0 0 0999 V2000 -2.1284 1.6669 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 0.8464 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 0.0580 -0.4524 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3915 -0.6877 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9129 -0.8663 -0.4761 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6295 -0.2429 -0.3079 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -0.6147 0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.5591 1.4471 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 0.0276 0.8341 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3973 -0.5612 1.9158 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 -0.0573 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 0.6364 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 0.5979 -1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9805 1.1942 -1.1919 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 0.0364 -2.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 -1.5017 -1.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.4467 -2.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 -2.1753 -2.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 2.5629 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 1.1653 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5814 2.0850 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6762 0.1759 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1412 1.5482 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 0.7677 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 -0.5993 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3474 -1.7327 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -0.2175 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 -1.6694 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 0.5462 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 1.1219 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 -0.3894 2.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -1.5628 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 -1.1427 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 0.3740 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 1.6791 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 0.1418 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 0.7688 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0493 2.1284 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 -3.1024 -2.6160 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 5 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 6 4 25 1 0 4 26 1 0 4 27 1 0 5 28 1 1 6 29 1 0 9 30 1 1 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 18 39 1 0 M END