AMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.10Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | N2 | sing | 1.45Å | 1.48Å | |
| C2 | H2 | sing | 1.10Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.10Å | 1.11Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H5 | sing | 1.10Å | 1.12Å | |
| C6 | O6 | sing | 1.42Å | 1.45Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.49Å | 1.54Å | |
| C7 | O7 | doub | 1.23Å | 1.22Å | |
| C7 | N2 | sing | 1.38Å | 1.36Å | |
| C8 | H81 | sing | 1.10Å | 1.11Å | |
| C8 | H82 | sing | 1.10Å | 1.11Å | |
| C8 | H83 | sing | 1.10Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.56Å | |
| C9 | C11 | sing | 1.52Å | 1.54Å | |
| C9 | O3 | sing | 1.42Å | 1.45Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C10 | OXT | sing | 1.36Å | 1.37Å | |
| C11 | H111 | sing | 1.10Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| O1 | C12 | sing | 1.42Å | 1.42Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N2 | HN2 | sing | 1.01Å | 1.02Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| OXT | HX | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 109.3° | 108.3° |
| C2 | C1 | O5 | 109.7° | 110.5° |
| C2 | C1 | H1 | 109.7° | 111.1° |
| C1 | C2 | C3 | 111.7° | 111.1° |
| C1 | C2 | N2 | 111.8° | 110.4° |
| C1 | C2 | H2 | 107.4° | 109.9° |
| O1 | C1 | O5 | 110.0° | 109.4° |
| O1 | C1 | H1 | 109.3° | 107.8° |
| C1 | O1 | C12 | 112.1° | 111.3° |
| O5 | C1 | H1 | 108.9° | 109.7° |
| C1 | O5 | C5 | 117.6° | 112.7° |
| C3 | C2 | N2 | 112.6° | 110.3° |
| C3 | C2 | H2 | 106.4° | 109.4° |
| C2 | C3 | C4 | 106.7° | 111.6° |
| C2 | C3 | O3 | 108.4° | 109.4° |
| C2 | C3 | H3 | 108.5° | 111.1° |
| N2 | C2 | H2 | 106.4° | 105.5° |
| C2 | N2 | C7 | 122.9° | 123.1° |
| C2 | N2 | HN2 | 123.0° | 118.5° |
| C4 | C3 | O3 | 96.5° | 108.0° |
| C4 | C3 | H3 | 118.5° | 109.7° |
| C3 | C4 | C5 | 110.2° | 110.7° |
| C3 | C4 | O4 | 109.2° | 109.4° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| O3 | C3 | H3 | 117.2° | 106.8° |
| C3 | O3 | C9 | 120.5° | 111.3° |
| C5 | C4 | O4 | 106.9° | 109.3° |
| C5 | C4 | H4 | 110.7° | 110.3° |
| C4 | C5 | C6 | 113.5° | 111.8° |
| C4 | C5 | O5 | 109.9° | 109.7° |
| C4 | C5 | H5 | 106.1° | 110.6° |
| O4 | C4 | H4 | 111.6° | 107.7° |
| C4 | O4 | HO4 | 109.3° | 106.6° |
| C6 | C5 | O5 | 108.6° | 107.6° |
| C6 | C5 | H5 | 107.5° | 107.7° |
| C5 | C6 | O6 | 110.6° | 108.6° |
| C5 | C6 | H61 | 111.8° | 110.0° |
| C5 | C6 | H62 | 111.8° | 110.0° |
| O5 | C5 | H5 | 111.3° | 109.4° |
| O6 | C6 | H61 | 111.8° | 109.3° |
| O6 | C6 | H62 | 111.8° | 109.3° |
| C6 | O6 | HO6 | 110.6° | 107.1° |
| H61 | C6 | H62 | 98.6° | 109.7° |
| C8 | C7 | O7 | 122.1° | 119.6° |
| C8 | C7 | N2 | 115.5° | 114.0° |
| C7 | C8 | H81 | 110.0° | 112.5° |
| C7 | C8 | H82 | 110.0° | 112.4° |
| C7 | C8 | H83 | 115.5° | 115.4° |
| O7 | C7 | N2 | 122.3° | 126.5° |
| C7 | N2 | HN2 | 114.1° | 118.4° |
| H81 | C8 | H82 | 100.2° | 105.3° |
| H81 | C8 | H83 | 110.0° | 105.2° |
| H82 | C8 | H83 | 110.0° | 105.2° |
| C10 | C9 | C11 | 112.2° | 111.3° |
| C10 | C9 | O3 | 114.2° | 108.4° |
| C10 | C9 | H9 | 102.3° | 109.6° |
| C9 | C10 | O11 | 120.8° | 124.8° |
| C9 | C10 | OXT | 119.0° | 112.2° |
| C11 | C9 | O3 | 102.5° | 108.0° |
| C11 | C9 | H9 | 114.1° | 111.3° |
| C9 | C11 | H111 | 114.9° | 110.9° |
| C9 | C11 | H112 | 114.9° | 110.6° |
| C9 | C11 | H113 | 102.5° | 111.8° |
| O3 | C9 | H9 | 112.0° | 108.0° |
| O11 | C10 | OXT | 120.2° | 123.0° |
| C10 | OXT | HX | 109.5° | 115.2° |
| H111 | C11 | H112 | 95.6° | 106.9° |
| H111 | C11 | H113 | 114.9° | 108.0° |
| H112 | C11 | H113 | 114.9° | 108.6° |
| O1 | C12 | H121 | 111.2° | 109.6° |
| O1 | C12 | H122 | 111.3° | 109.5° |
| O1 | C12 | H123 | 112.1° | 109.0° |
| H121 | C12 | H122 | 99.1° | 110.0° |
| H121 | C12 | H123 | 111.3° | 109.4° |
| H122 | C12 | H123 | 111.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 120.5° | 120.4° |
| C2 | C1 | O1 | H1 | 120.0° | 120.3° |
| C2 | C1 | O5 | H1 | 120.0° | 122.8° |
| C1 | C2 | C3 | N2 | 126.8° | 122.7° |
| C1 | C2 | C3 | H2 | 117.0° | 121.6° |
| C1 | C2 | N2 | H2 | 117.0° | 118.7° |
| C1 | C2 | C3 | C4 | 57.8° | 48.2° |
| C1 | C2 | C3 | O3 | 160.8° | 167.6° |
| C1 | C2 | C3 | H3 | 71.0° | 74.7° |
| C2 | C1 | O5 | C5 | 52.6° | 62.4° |
| C1 | C2 | N2 | C7 | 127.6° | 118.7° |
| C2 | C1 | O1 | C12 | 156.0° | 180.0° |
| C1 | C2 | N2 | HN2 | 52.4° | 61.2° |
| O1 | C1 | O5 | H1 | 119.8° | 118.1° |
| O1 | C1 | C2 | C3 | 173.9° | 173.0° |
| O1 | C1 | C2 | N2 | 58.8° | 64.3° |
| O1 | C1 | C2 | H2 | 57.6° | 51.7° |
| O1 | C1 | O5 | C5 | 172.8° | 178.6° |
| C1 | O1 | C12 | H121 | 54.7° | 178.5° |
| C1 | O1 | C12 | H122 | 54.7° | 60.8° |
| C1 | O1 | C12 | H123 | 180.0° | 58.8° |
| O5 | C1 | C2 | C3 | 53.3° | 53.3° |
| O5 | C1 | C2 | N2 | 179.5° | 176.0° |
| O5 | C1 | C2 | H2 | 63.1° | 68.0° |
| C1 | O5 | C5 | C4 | 55.3° | 63.7° |
| C1 | O5 | C5 | C6 | 180.0° | 174.5° |
| C1 | O5 | C5 | H5 | 62.0° | 57.7° |
| O5 | C1 | O1 | C12 | 83.5° | 59.6° |
| H1 | C1 | C2 | C3 | 66.3° | 68.7° |
| H1 | C1 | C2 | N2 | 61.0° | 54.0° |
| H1 | C1 | C2 | H2 | 177.4° | 170.0° |
| H1 | C1 | O5 | C5 | 67.4° | 60.5° |
| H1 | C1 | O1 | C12 | 36.0° | 59.7° |
| C3 | C2 | N2 | H2 | 116.2° | 118.1° |
| C2 | C3 | C4 | O3 | 111.4° | 120.3° |
| C2 | C3 | C4 | H3 | 122.7° | 123.6° |
| C2 | C3 | O3 | H3 | 123.1° | 120.4° |
| C2 | C3 | C4 | C5 | 59.5° | 49.6° |
| C2 | C3 | C4 | O4 | 176.6° | 170.1° |
| C2 | C3 | C4 | H4 | 61.7° | 72.2° |
| C3 | C2 | N2 | C7 | 105.6° | 118.1° |
| C2 | C3 | O3 | C9 | 132.2° | 90.4° |
| C3 | C2 | N2 | HN2 | 74.4° | 61.9° |
| N2 | C2 | C3 | C4 | 175.4° | 170.9° |
| N2 | C2 | C3 | O3 | 72.4° | 69.7° |
| N2 | C2 | C3 | H3 | 55.8° | 48.1° |
| C2 | N2 | C7 | C8 | 169.0° | 179.9° |
| C2 | N2 | C7 | O7 | 11.4° | 0.0° |
| C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 59.2° | 73.4° |
| H2 | C2 | C3 | O3 | 43.8° | 46.0° |
| H2 | C2 | C3 | H3 | 172.0° | 163.7° |
| H2 | C2 | N2 | C7 | 10.6° | 0.0° |
| H2 | C2 | N2 | HN2 | 169.4° | 180.0° |
| C4 | C3 | O3 | H3 | 126.8° | 118.0° |
| C3 | C4 | C5 | O4 | 118.6° | 120.5° |
| C3 | C4 | C5 | H4 | 119.8° | 121.3° |
| C3 | C4 | O4 | H4 | 119.7° | 118.9° |
| C3 | C4 | C5 | C6 | 179.4° | 175.3° |
| C3 | C4 | C5 | O5 | 57.6° | 56.1° |
| C3 | C4 | C5 | H5 | 62.8° | 64.7° |
| C4 | C3 | O3 | C9 | 117.8° | 147.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 150.3° |
| O3 | C3 | C4 | C5 | 171.0° | 169.9° |
| O3 | C3 | C4 | O4 | 71.9° | 69.7° |
| O3 | C3 | C4 | H4 | 49.8° | 48.1° |
| C3 | O3 | C9 | C10 | 53.5° | 148.8° |
| C3 | O3 | C9 | C11 | 175.1° | 90.5° |
| C3 | O3 | C9 | H9 | 62.2° | 30.1° |
| H3 | C3 | C4 | C5 | 63.2° | 74.0° |
| H3 | C3 | C4 | O4 | 53.9° | 46.4° |
| H3 | C3 | C4 | H4 | 175.6° | 164.2° |
| H3 | C3 | O3 | C9 | 9.0° | 29.9° |
| C5 | C4 | O4 | H4 | 121.1° | 119.8° |
| C4 | C5 | C6 | O5 | 122.5° | 120.5° |
| C4 | C5 | C6 | H5 | 117.0° | 121.7° |
| C4 | C5 | O5 | H5 | 117.2° | 121.5° |
| C4 | C5 | C6 | O6 | 177.5° | 179.5° |
| C4 | C5 | C6 | H61 | 57.2° | 60.0° |
| C4 | C5 | C6 | H62 | 52.3° | 60.9° |
| C5 | C4 | O4 | HO4 | 60.9° | 29.1° |
| O4 | C4 | C5 | C6 | 62.1° | 64.2° |
| O4 | C4 | C5 | O5 | 176.1° | 176.6° |
| O4 | C4 | C5 | H5 | 55.7° | 55.8° |
| H4 | C4 | C5 | C6 | 59.6° | 54.0° |
| H4 | C4 | C5 | O5 | 62.2° | 65.2° |
| H4 | C4 | C5 | H5 | 177.4° | 174.0° |
| H4 | C4 | O4 | HO4 | 60.2° | 90.8° |
| C6 | C5 | O5 | H5 | 118.1° | 116.8° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 117.7° | 121.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 75.2° |
| O5 | C5 | C6 | O6 | 59.9° | 59.1° |
| O5 | C5 | C6 | H61 | 65.3° | 60.5° |
| O5 | C5 | C6 | H62 | 174.8° | 178.6° |
| H5 | C5 | C6 | O6 | 60.5° | 58.8° |
| H5 | C5 | C6 | H61 | 174.2° | 178.3° |
| H5 | C5 | C6 | H62 | 64.7° | 60.8° |
| O6 | C6 | H61 | H62 | 117.7° | 119.8° |
| H61 | C6 | O6 | HO6 | 54.7° | 44.8° |
| H62 | C6 | O6 | HO6 | 54.8° | 164.8° |
| C8 | C7 | O7 | N2 | 179.5° | 179.9° |
| C7 | C8 | H81 | H82 | 115.8° | 122.8° |
| C7 | C8 | H81 | H83 | 128.4° | 126.4° |
| C7 | C8 | H82 | H83 | 128.4° | 126.3° |
| C8 | C7 | N2 | HN2 | 11.0° | 0.1° |
| O7 | C7 | C8 | H81 | 124.8° | 59.3° |
| O7 | C7 | C8 | H82 | 125.7° | 59.4° |
| O7 | C7 | C8 | H83 | 0.4° | 180.0° |
| O7 | C7 | N2 | HN2 | 168.6° | 180.0° |
| N2 | C7 | C8 | H81 | 54.7° | 120.8° |
| N2 | C7 | C8 | H82 | 54.7° | 120.5° |
| N2 | C7 | C8 | H83 | 180.0° | 0.1° |
| H81 | C8 | H82 | H83 | 115.8° | 110.9° |
| C10 | C9 | C11 | O3 | 123.0° | 119.0° |
| C10 | C9 | C11 | H9 | 115.7° | 122.6° |
| C10 | C9 | O3 | H9 | 115.7° | 118.7° |
| C9 | C10 | O11 | OXT | 179.6° | 178.8° |
| C10 | C9 | C11 | H111 | 177.7° | 0.0° |
| C10 | C9 | C11 | H112 | 68.3° | 118.4° |
| C10 | C9 | C11 | H113 | 57.0° | 120.6° |
| C9 | C10 | OXT | HX | 179.6° | 179.0° |
| C11 | C9 | O3 | H9 | 122.7° | 120.5° |
| C11 | C9 | C10 | O11 | 33.8° | 116.4° |
| C11 | C9 | C10 | OXT | 146.6° | 62.6° |
| C9 | C11 | H111 | H112 | 120.7° | 120.6° |
| C9 | C11 | H111 | H113 | 118.5° | 122.8° |
| C9 | C11 | H112 | H113 | 118.5° | 123.0° |
| O3 | C9 | C10 | O11 | 82.3° | 2.3° |
| O3 | C9 | C10 | OXT | 97.3° | 178.7° |
| O3 | C9 | C11 | H111 | 54.7° | 119.0° |
| O3 | C9 | C11 | H112 | 54.7° | 122.7° |
| O3 | C9 | C11 | H113 | 180.0° | 1.6° |
| H9 | C9 | C10 | O11 | 156.5° | 120.0° |
| H9 | C9 | C10 | OXT | 23.9° | 61.0° |
| H9 | C9 | C11 | H111 | 66.6° | 122.6° |
| H9 | C9 | C11 | H112 | 176.1° | 4.3° |
| H9 | C9 | C11 | H113 | 58.7° | 116.8° |
| O11 | C10 | OXT | HX | 0.0° | 0.0° |
| H111 | C11 | H112 | H113 | 120.7° | 116.2° |
| O1 | C12 | H121 | H122 | 117.2° | 120.5° |
| O1 | C12 | H121 | H123 | 125.7° | 119.4° |
| O1 | C12 | H122 | H123 | 125.7° | 119.4° |
| H121 | C12 | H122 | H123 | 117.2° | 120.1° |
