AAG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| N1 | C8 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.51Å | 1.50Å | |
| C1 | HC1 | sing | 1.09Å | 1.11Å | |
| C2 | C4 | sing | 1.53Å | 1.55Å | |
| C2 | HC21 | sing | 1.09Å | 1.12Å | |
| C2 | HC22 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| N2 | C6 | sing | 1.37Å | 1.35Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C6 | N3 | sing | 1.38Å | 1.34Å | |
| C6 | N4 | doub | 1.30Å | 1.28Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C3 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | O2 | sing | 1.34Å | 1.34Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | O4 | doub | 1.21Å | 1.24Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| C9 | HC93 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C8 | 124.0° | 120.1° |
| C1 | N1 | HN1 | 121.9° | 120.0° |
| N1 | C1 | C2 | 110.8° | 109.5° |
| N1 | C1 | C3 | 110.3° | 109.5° |
| N1 | C1 | HC1 | 107.7° | 109.4° |
| C8 | N1 | HN1 | 114.1° | 119.9° |
| N1 | C8 | C9 | 121.1° | 120.1° |
| N1 | C8 | O4 | 120.6° | 119.9° |
| C2 | C1 | C3 | 108.6° | 109.5° |
| C2 | C1 | HC1 | 109.4° | 109.5° |
| C1 | C2 | C4 | 111.2° | 109.5° |
| C1 | C2 | HC21 | 111.6° | 109.5° |
| C1 | C2 | HC22 | 111.6° | 109.5° |
| C3 | C1 | HC1 | 110.0° | 109.4° |
| C1 | C3 | O1 | 121.5° | 120.0° |
| C1 | C3 | O2 | 115.1° | 120.0° |
| C4 | C2 | HC21 | 111.5° | 109.4° |
| C4 | C2 | HC22 | 111.5° | 109.5° |
| C2 | C4 | C5 | 111.2° | 109.5° |
| C2 | C4 | HC41 | 111.6° | 109.4° |
| C2 | C4 | HC42 | 111.6° | 109.5° |
| HC21 | C2 | HC22 | 98.9° | 109.4° |
| C5 | C4 | HC41 | 111.6° | 109.4° |
| C5 | C4 | HC42 | 111.6° | 109.5° |
| C4 | C5 | N2 | 110.2° | 109.5° |
| C4 | C5 | HC51 | 112.0° | 109.5° |
| C4 | C5 | HC52 | 111.9° | 109.5° |
| HC41 | C4 | HC42 | 98.8° | 109.5° |
| N2 | C5 | HC51 | 111.9° | 109.5° |
| N2 | C5 | HC52 | 111.9° | 109.5° |
| C5 | N2 | C6 | 121.3° | 120.0° |
| C5 | N2 | HN2 | 108.0° | 120.0° |
| HC51 | C5 | HC52 | 98.5° | 109.4° |
| C6 | N2 | HN2 | 108.0° | 120.0° |
| N2 | C6 | N3 | 120.1° | 120.0° |
| N2 | C6 | N4 | 118.9° | 120.0° |
| N3 | C6 | N4 | 121.0° | 120.0° |
| C6 | N3 | HN31 | 120.1° | 120.0° |
| C6 | N3 | HN32 | 108.4° | 119.9° |
| C6 | N4 | HN4 | 30.6° | 120.0° |
| HN31 | N3 | HN32 | 108.3° | 120.1° |
| O1 | C3 | O2 | 123.4° | 120.0° |
| C3 | O2 | HO2 | 115.1° | 120.0° |
| C9 | C8 | O4 | 118.2° | 120.0° |
| C8 | C9 | HC91 | 121.1° | 109.5° |
| C8 | C9 | HC92 | 108.0° | 109.4° |
| C8 | C9 | HC93 | 108.0° | 109.5° |
| HC91 | C9 | HC92 | 108.1° | 109.4° |
| HC91 | C9 | HC93 | 108.1° | 109.5° |
| HC92 | C9 | HC93 | 101.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C8 | HN1 | 180.0° | 180.0° |
| N1 | C1 | C2 | C3 | 121.3° | 120.0° |
| N1 | C1 | C2 | HC1 | 118.6° | 120.0° |
| N1 | C1 | C3 | HC1 | 118.7° | 119.9° |
| N1 | C1 | C2 | C4 | 60.1° | 59.9° |
| N1 | C1 | C2 | HC21 | 65.1° | 60.0° |
| N1 | C1 | C2 | HC22 | 174.7° | 180.0° |
| N1 | C1 | C3 | O1 | 28.1° | 150.0° |
| N1 | C1 | C3 | O2 | 151.3° | 30.1° |
| C1 | N1 | C8 | C9 | 172.8° | 180.0° |
| C1 | N1 | C8 | O4 | 9.0° | 0.0° |
| C8 | N1 | C1 | C2 | 167.8° | 150.0° |
| C8 | N1 | C1 | C3 | 71.9° | 89.9° |
| C8 | N1 | C1 | HC1 | 48.2° | 30.0° |
| N1 | C8 | C9 | O4 | 178.2° | 180.0° |
| N1 | C8 | C9 | HC91 | 180.0° | 180.0° |
| N1 | C8 | C9 | HC92 | 54.7° | 60.0° |
| N1 | C8 | C9 | HC93 | 54.7° | 60.0° |
| HN1 | N1 | C1 | C2 | 12.2° | 30.0° |
| HN1 | N1 | C1 | C3 | 108.2° | 90.0° |
| HN1 | N1 | C1 | HC1 | 131.8° | 150.0° |
| HN1 | N1 | C8 | C9 | 7.2° | 0.0° |
| HN1 | N1 | C8 | O4 | 170.9° | 180.0° |
| C2 | C1 | C3 | HC1 | 119.7° | 120.0° |
| C1 | C2 | C4 | HC21 | 125.3° | 120.0° |
| C1 | C2 | C4 | HC22 | 125.3° | 120.1° |
| C1 | C2 | HC21 | HC22 | 117.5° | 120.0° |
| C1 | C2 | C4 | C5 | 69.6° | 180.0° |
| C1 | C2 | C4 | HC41 | 55.7° | 60.1° |
| C1 | C2 | C4 | HC42 | 165.1° | 59.9° |
| C2 | C1 | C3 | O1 | 93.6° | 89.9° |
| C2 | C1 | C3 | O2 | 87.0° | 90.0° |
| C3 | C1 | C2 | C4 | 178.6° | 180.0° |
| C3 | C1 | C2 | HC21 | 56.2° | 60.0° |
| C3 | C1 | C2 | HC22 | 53.4° | 60.0° |
| C1 | C3 | O1 | O2 | 179.4° | 179.9° |
| C1 | C3 | O2 | HO2 | 179.9° | 180.0° |
| HC1 | C1 | C2 | C4 | 58.5° | 60.0° |
| HC1 | C1 | C2 | HC21 | 176.2° | 180.0° |
| HC1 | C1 | C2 | HC22 | 66.7° | 60.0° |
| HC1 | C1 | C3 | O1 | 146.7° | 30.1° |
| HC1 | C1 | C3 | O2 | 32.7° | 150.0° |
| C4 | C2 | HC21 | HC22 | 117.4° | 120.0° |
| C2 | C4 | C5 | HC41 | 125.3° | 119.9° |
| C2 | C4 | C5 | HC42 | 125.3° | 120.1° |
| C2 | C4 | HC41 | HC42 | 117.5° | 120.1° |
| C2 | C4 | C5 | N2 | 148.8° | 180.0° |
| C2 | C4 | C5 | HC51 | 23.5° | 60.0° |
| C2 | C4 | C5 | HC52 | 86.0° | 59.9° |
| HC21 | C2 | C4 | C5 | 165.1° | 60.0° |
| HC21 | C2 | C4 | HC41 | 69.6° | 179.9° |
| HC21 | C2 | C4 | HC42 | 39.9° | 60.0° |
| HC22 | C2 | C4 | C5 | 55.7° | 59.9° |
| HC22 | C2 | C4 | HC41 | 179.0° | 60.0° |
| HC22 | C2 | C4 | HC42 | 69.6° | 180.0° |
| C5 | C4 | HC41 | HC42 | 117.5° | 120.0° |
| C4 | C5 | N2 | HC51 | 125.3° | 120.0° |
| C4 | C5 | N2 | HC52 | 125.2° | 120.0° |
| C4 | C5 | HC51 | HC52 | 117.9° | 120.0° |
| C4 | C5 | N2 | C6 | 100.4° | 180.0° |
| C4 | C5 | N2 | HN2 | 134.3° | 0.0° |
| HC41 | C4 | C5 | N2 | 86.0° | 60.1° |
| HC41 | C4 | C5 | HC51 | 148.8° | 179.9° |
| HC41 | C4 | C5 | HC52 | 39.2° | 59.9° |
| HC42 | C4 | C5 | N2 | 23.5° | 60.0° |
| HC42 | C4 | C5 | HC51 | 101.7° | 60.0° |
| HC42 | C4 | C5 | HC52 | 148.7° | 180.0° |
| N2 | C5 | HC51 | HC52 | 117.8° | 120.0° |
| C5 | N2 | C6 | HN2 | 125.3° | 180.0° |
| C5 | N2 | C6 | N3 | 9.2° | 180.0° |
| C5 | N2 | C6 | N4 | 171.5° | 0.0° |
| HC51 | C5 | N2 | C6 | 134.3° | 60.0° |
| HC51 | C5 | N2 | HN2 | 9.1° | 120.0° |
| HC52 | C5 | N2 | C6 | 24.8° | 60.0° |
| HC52 | C5 | N2 | HN2 | 100.4° | 120.0° |
| N2 | C6 | N3 | N4 | 179.2° | 180.0° |
| N2 | C6 | N3 | HN31 | 180.0° | 180.0° |
| N2 | C6 | N3 | HN32 | 54.8° | 0.0° |
| N2 | C6 | N4 | HN4 | 70.6° | 179.9° |
| HN2 | N2 | C6 | N3 | 134.5° | 0.0° |
| HN2 | N2 | C6 | N4 | 46.3° | 180.0° |
| C6 | N3 | HN31 | HN32 | 125.2° | 180.0° |
| N3 | C6 | N4 | HN4 | 108.7° | 0.0° |
| N4 | C6 | N3 | HN31 | 0.7° | 0.0° |
| N4 | C6 | N3 | HN32 | 124.5° | 180.0° |
| O1 | C3 | O2 | HO2 | 0.6° | 0.0° |
| C8 | C9 | HC91 | HC92 | 125.3° | 120.0° |
| C8 | C9 | HC91 | HC93 | 125.3° | 120.1° |
| C8 | C9 | HC92 | HC93 | 113.6° | 120.0° |
| O4 | C8 | C9 | HC91 | 1.8° | 0.0° |
| O4 | C8 | C9 | HC92 | 127.1° | 120.0° |
| O4 | C8 | C9 | HC93 | 123.5° | 120.0° |
| HC91 | C9 | HC92 | HC93 | 113.7° | 120.0° |
