HMDB0006344 RDKit 3D Phenylacetylglutamine 35 35 0 0 0 0 0 0 0 0999 V2000 5.4692 0.5084 -1.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 -0.4106 -1.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -1.4237 -2.2436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -0.2047 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -1.3276 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 -1.1543 0.6167 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5785 0.0796 0.4105 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 0.0549 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 -1.0508 0.0629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 1.3105 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 1.0347 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 0.8446 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 0.5854 -1.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 0.5213 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2174 0.7055 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8858 0.9611 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 -1.2254 1.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -0.2966 2.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -2.3410 2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 1.5304 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 0.1593 -1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8221 -0.0635 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 0.7518 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8603 -1.3475 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 -2.3028 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 -2.0140 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 0.9867 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 1.9971 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 1.8848 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7383 0.9002 -2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 0.4382 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7128 0.3194 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 0.6635 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 1.1118 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 -2.1869 2.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 2 0 17 19 1 0 16 11 1 0 1 20 1 0 1 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 1 7 27 1 0 10 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 19 35 1 0 M END