8GP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.49Å | 1.53Å | |
| C8 | O8 | doub | 1.21Å | 1.23Å | |
| C8 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C9 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 107.3° | 109.8° |
| C2 | C1 | N1 | 108.6° | 109.3° |
| C2 | C1 | H1 | 111.5° | 109.4° |
| C1 | C2 | O2 | 107.9° | 109.6° |
| C1 | C2 | C3 | 108.7° | 109.0° |
| C1 | C2 | H2 | 110.9° | 109.5° |
| O5 | C1 | N1 | 109.7° | 109.5° |
| O5 | C1 | H1 | 110.4° | 109.4° |
| C1 | O5 | C5 | 111.9° | 107.7° |
| N1 | C1 | H1 | 109.2° | 109.4° |
| C1 | N1 | C7 | 119.1° | 120.0° |
| C1 | N1 | HN1 | 120.4° | 120.0° |
| O2 | C2 | C3 | 109.1° | 109.6° |
| O2 | C2 | H2 | 110.4° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 106.8° |
| C3 | C2 | H2 | 109.7° | 109.5° |
| C2 | C3 | O3 | 109.4° | 109.6° |
| C2 | C3 | C4 | 109.9° | 108.6° |
| C2 | C3 | H3 | 109.3° | 109.6° |
| O3 | C3 | C4 | 109.6° | 109.7° |
| O3 | C3 | H3 | 109.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 106.7° |
| C4 | C3 | H3 | 109.1° | 109.6° |
| C3 | C4 | O4 | 108.7° | 109.6° |
| C3 | C4 | C5 | 110.1° | 109.0° |
| C3 | C4 | H4 | 109.5° | 109.6° |
| O4 | C4 | C5 | 109.5° | 109.5° |
| O4 | C4 | H4 | 110.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| C5 | C4 | H4 | 108.8° | 109.6° |
| C4 | C5 | O5 | 110.7° | 109.8° |
| C4 | C5 | C6 | 108.6° | 109.5° |
| C4 | C5 | H5 | 110.2° | 109.4° |
| O5 | C5 | C6 | 112.0° | 109.4° |
| O5 | C5 | H5 | 106.5° | 109.3° |
| C6 | C5 | H5 | 108.8° | 109.4° |
| C5 | C6 | O6 | 110.8° | 109.5° |
| C5 | C6 | H61 | 108.8° | 109.4° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| O6 | C6 | H61 | 108.7° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 106.8° |
| H61 | C6 | H62 | 110.5° | 109.5° |
| C7 | N1 | HN1 | 120.5° | 120.0° |
| N1 | C7 | O7 | 122.9° | 120.0° |
| N1 | C7 | C8 | 118.3° | 120.0° |
| O7 | C7 | C8 | 118.3° | 120.0° |
| C7 | C8 | O8 | 118.3° | 120.0° |
| C7 | C8 | N2 | 117.2° | 120.0° |
| O8 | C8 | N2 | 124.5° | 120.0° |
| C8 | N2 | C9 | 125.5° | 120.0° |
| C8 | N2 | HN2 | 117.3° | 120.0° |
| C9 | N2 | HN2 | 117.3° | 120.0° |
| N2 | C9 | C10 | 115.1° | 117.5° |
| N2 | C9 | C11 | 117.6° | 117.5° |
| N2 | C9 | H9 | 94.3° | 115.6° |
| C10 | C9 | C11 | 59.9° | 60.0° |
| C10 | C9 | H9 | 136.2° | 117.5° |
| C9 | C10 | C11 | 60.1° | 60.0° |
| C9 | C10 | H101 | 135.9° | 117.5° |
| C9 | C10 | H102 | 130.9° | 117.5° |
| C11 | C9 | H9 | 134.1° | 117.5° |
| C9 | C11 | C10 | 60.1° | 60.0° |
| C9 | C11 | H111 | 136.0° | 117.5° |
| C9 | C11 | H112 | 130.9° | 117.6° |
| C11 | C10 | H101 | 135.9° | 117.5° |
| C11 | C10 | H102 | 130.8° | 117.5° |
| C10 | C11 | H111 | 136.0° | 117.5° |
| C10 | C11 | H112 | 130.9° | 117.5° |
| H101 | C10 | H102 | 74.8° | 115.5° |
| H111 | C11 | H112 | 74.8° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | N1 | 117.9° | 120.1° |
| C2 | C1 | O5 | H1 | 121.7° | 120.1° |
| C2 | C1 | N1 | H1 | 121.8° | 119.8° |
| C1 | C2 | O2 | C3 | 117.9° | 119.6° |
| C1 | C2 | O2 | H2 | 121.4° | 120.2° |
| C1 | C2 | C3 | H2 | 121.4° | 119.8° |
| C1 | C2 | O2 | HO2 | 10.9° | 60.0° |
| C1 | C2 | C3 | O3 | 177.8° | 173.6° |
| C1 | C2 | C3 | C4 | 57.5° | 53.7° |
| C1 | C2 | C3 | H3 | 62.2° | 66.1° |
| C2 | C1 | O5 | C5 | 65.9° | 67.5° |
| C2 | C1 | N1 | C7 | 151.4° | 144.7° |
| C2 | C1 | N1 | HN1 | 28.6° | 35.3° |
| O5 | C1 | N1 | H1 | 121.2° | 119.9° |
| O5 | C1 | C2 | O2 | 178.9° | 178.8° |
| O5 | C1 | C2 | C3 | 62.9° | 61.2° |
| O5 | C1 | C2 | H2 | 57.8° | 58.6° |
| C1 | O5 | C5 | C4 | 61.7° | 67.6° |
| C1 | O5 | C5 | C6 | 176.9° | 172.3° |
| C1 | O5 | C5 | H5 | 58.1° | 52.4° |
| O5 | C1 | N1 | C7 | 91.5° | 95.0° |
| O5 | C1 | N1 | HN1 | 88.5° | 85.0° |
| N1 | C1 | C2 | O2 | 60.3° | 58.7° |
| N1 | C1 | C2 | C3 | 178.6° | 178.7° |
| N1 | C1 | C2 | H2 | 60.7° | 61.5° |
| N1 | C1 | O5 | C5 | 176.2° | 172.4° |
| C1 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C7 | O7 | 0.6° | 0.0° |
| C1 | N1 | C7 | C8 | 172.6° | 180.0° |
| H1 | C1 | C2 | O2 | 60.0° | 61.0° |
| H1 | C1 | C2 | C3 | 58.2° | 58.9° |
| H1 | C1 | C2 | H2 | 178.9° | 178.7° |
| H1 | C1 | O5 | C5 | 55.8° | 52.5° |
| H1 | C1 | N1 | C7 | 29.6° | 24.9° |
| H1 | C1 | N1 | HN1 | 150.4° | 155.1° |
| O2 | C2 | C3 | H2 | 121.1° | 120.2° |
| O2 | C2 | C3 | O3 | 64.8° | 66.5° |
| O2 | C2 | C3 | C4 | 174.9° | 173.7° |
| O2 | C2 | C3 | H3 | 55.2° | 53.9° |
| C3 | C2 | O2 | HO2 | 128.8° | 179.6° |
| C2 | C3 | O3 | C4 | 120.5° | 119.2° |
| C2 | C3 | O3 | H3 | 119.8° | 120.3° |
| C2 | C3 | C4 | H3 | 119.8° | 119.8° |
| C2 | C3 | O3 | HO3 | 157.7° | 60.0° |
| C2 | C3 | C4 | O4 | 172.3° | 173.7° |
| C2 | C3 | C4 | C5 | 52.4° | 53.8° |
| C2 | C3 | C4 | H4 | 67.2° | 66.2° |
| H2 | C2 | O2 | HO2 | 110.5° | 60.2° |
| H2 | C2 | C3 | O3 | 56.4° | 53.8° |
| H2 | C2 | C3 | C4 | 63.9° | 66.1° |
| H2 | C2 | C3 | H3 | 176.4° | 174.1° |
| O3 | C3 | C4 | H3 | 120.0° | 120.4° |
| O3 | C3 | C4 | O4 | 67.5° | 66.5° |
| O3 | C3 | C4 | C5 | 172.6° | 173.6° |
| O3 | C3 | C4 | H4 | 53.0° | 53.7° |
| C4 | C3 | O3 | HO3 | 81.8° | 179.2° |
| C3 | C4 | O4 | C5 | 120.3° | 119.6° |
| C3 | C4 | O4 | H4 | 120.0° | 120.2° |
| C3 | C4 | C5 | H4 | 120.1° | 119.9° |
| C3 | C4 | O4 | HO4 | 105.2° | 60.0° |
| C3 | C4 | C5 | O5 | 53.5° | 61.3° |
| C3 | C4 | C5 | C6 | 176.9° | 178.6° |
| C3 | C4 | C5 | H5 | 64.1° | 58.7° |
| H3 | C3 | O3 | HO3 | 37.9° | 60.4° |
| H3 | C3 | C4 | O4 | 52.5° | 53.9° |
| H3 | C3 | C4 | C5 | 67.4° | 66.0° |
| H3 | C3 | C4 | H4 | 173.0° | 174.1° |
| O4 | C4 | C5 | H4 | 120.5° | 120.2° |
| O4 | C4 | C5 | O5 | 173.0° | 178.8° |
| O4 | C4 | C5 | C6 | 63.6° | 58.7° |
| O4 | C4 | C5 | H5 | 55.4° | 61.2° |
| C5 | C4 | O4 | HO4 | 15.1° | 179.6° |
| C4 | C5 | O5 | C6 | 121.3° | 120.1° |
| C4 | C5 | O5 | H5 | 119.8° | 120.0° |
| C4 | C5 | C6 | H5 | 119.9° | 119.9° |
| C4 | C5 | C6 | O6 | 70.0° | 174.9° |
| C4 | C5 | C6 | H61 | 49.5° | 65.2° |
| C4 | C5 | C6 | H62 | 170.0° | 54.8° |
| H4 | C4 | O4 | HO4 | 134.7° | 60.2° |
| H4 | C4 | C5 | O5 | 66.5° | 58.6° |
| H4 | C4 | C5 | C6 | 56.8° | 61.5° |
| H4 | C4 | C5 | H5 | 175.9° | 178.6° |
| O5 | C5 | C6 | H5 | 117.5° | 119.8° |
| O5 | C5 | C6 | O6 | 52.6° | 64.8° |
| O5 | C5 | C6 | H61 | 172.0° | 55.1° |
| O5 | C5 | C6 | H62 | 67.4° | 175.2° |
| C5 | C6 | O6 | H61 | 119.5° | 119.9° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.6° | 120.0° |
| C5 | C6 | O6 | HO6 | 81.9° | 180.0° |
| H5 | C5 | C6 | O6 | 170.1° | 55.0° |
| H5 | C5 | C6 | H61 | 70.5° | 175.0° |
| H5 | C5 | C6 | H62 | 50.1° | 65.0° |
| O6 | C6 | H61 | H62 | 119.6° | 120.1° |
| H61 | C6 | O6 | HO6 | 37.5° | 60.0° |
| H62 | C6 | O6 | HO6 | 158.1° | 60.0° |
| N1 | C7 | O7 | C8 | 172.1° | 180.0° |
| N1 | C7 | C8 | O8 | 156.6° | 0.0° |
| N1 | C7 | C8 | N2 | 21.6° | 180.0° |
| HN1 | N1 | C7 | O7 | 179.4° | 180.0° |
| HN1 | N1 | C7 | C8 | 7.3° | 0.0° |
| O7 | C7 | C8 | O8 | 15.8° | 180.0° |
| O7 | C7 | C8 | N2 | 166.0° | 0.0° |
| C7 | C8 | O8 | N2 | 178.1° | 180.0° |
| C7 | C8 | N2 | C9 | 179.6° | 180.0° |
| C7 | C8 | N2 | HN2 | 0.4° | 0.0° |
| O8 | C8 | N2 | C9 | 2.3° | 0.0° |
| O8 | C8 | N2 | HN2 | 177.7° | 180.0° |
| C8 | N2 | C9 | HN2 | 180.0° | 180.0° |
| C8 | N2 | C9 | C10 | 79.3° | 155.0° |
| C8 | N2 | C9 | C11 | 11.7° | 136.4° |
| C8 | N2 | C9 | H9 | 134.1° | 9.3° |
| N2 | C9 | C10 | C11 | 108.6° | 107.5° |
| N2 | C9 | C10 | H9 | 127.5° | 145.1° |
| N2 | C9 | C11 | H9 | 128.6° | 145.0° |
| N2 | C9 | C10 | H101 | 124.7° | 145.1° |
| N2 | C9 | C10 | H102 | 11.4° | 0.1° |
| N2 | C9 | C11 | H111 | 22.2° | 0.0° |
| N2 | C9 | C11 | H112 | 135.5° | 145.0° |
| HN2 | N2 | C9 | C10 | 100.7° | 25.0° |
| HN2 | N2 | C9 | C11 | 168.3° | 43.6° |
| HN2 | N2 | C9 | H9 | 45.9° | 170.7° |
| C10 | C9 | C11 | H9 | 126.8° | 107.5° |
| C9 | C10 | C11 | H101 | 126.7° | 107.5° |
| C9 | C10 | C11 | H102 | 120.0° | 107.5° |
| C9 | C10 | H101 | H102 | 134.0° | 145.7° |
| C10 | C9 | C11 | H111 | 126.7° | 107.5° |
| C10 | C9 | C11 | H112 | 120.0° | 107.5° |
| C9 | C11 | H111 | H112 | 133.9° | 145.7° |
| H9 | C9 | C10 | H101 | 2.8° | 0.0° |
| H9 | C9 | C10 | H102 | 116.1° | 145.0° |
| H9 | C9 | C11 | H111 | 106.4° | 145.0° |
| H9 | C9 | C11 | H112 | 6.8° | 0.0° |
| C11 | C10 | H101 | H102 | 133.9° | 145.6° |
| C10 | C11 | H111 | H112 | 134.0° | 145.7° |
| H101 | C10 | C11 | H111 | 106.6° | 145.0° |
| H101 | C10 | C11 | H112 | 6.7° | 0.0° |
| H102 | C10 | C11 | H111 | 6.7° | 0.0° |
| H102 | C10 | C11 | H112 | 120.0° | 145.0° |
