HMDB0245915 RDKit 3D Pyroglutamyl-3-methylhistidyl-prolinamide 51 53 0 0 0 0 0 0 0 0999 V2000 5.2929 2.7099 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7206 1.3172 -0.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8832 0.9104 -0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9285 -0.4358 -0.9228 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -0.8669 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.2252 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 0.1838 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6419 0.1610 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 1.4091 -1.2546 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 0.1998 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 1.3128 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -0.9110 0.5826 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 -2.2621 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -2.6483 2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 -2.1797 1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -0.8699 1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7771 -0.6709 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -0.5702 -1.0936 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -0.5952 0.3729 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -0.4050 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 -0.2989 -1.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5267 -0.3289 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 0.8668 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1819 1.9226 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9156 1.1796 -1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8497 1.6317 -2.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3361 -0.1336 -1.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 3.1626 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4834 2.7560 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 3.2240 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6576 1.5945 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 -1.9312 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 1.0465 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 -0.7253 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 -0.7105 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 1.2243 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 1.5612 -1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 -2.9015 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -2.4004 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 -2.0174 2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 -3.7216 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 -2.0766 2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -2.9336 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 -0.0589 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 -0.6817 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8061 -1.2480 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6148 0.6080 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8657 1.0978 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 2.3683 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8047 2.7396 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4836 -0.8296 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 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 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 6 2 1 0 16 12 1 0 27 22 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 19 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 27 51 1 0 M END