7D7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | sing | 1.43Å | 1.44Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| C02 | O01 | sing | 1.43Å | 1.45Å | |
| C02 | C05 | sing | 1.53Å | 1.47Å | |
| C03 | O04 | sing | 1.43Å | 1.45Å | |
| O01 | C08 | sing | 1.43Å | 1.47Å | |
| C05 | C08 | sing | 1.53Å | 1.46Å | |
| C08 | N09 | sing | 1.47Å | 1.41Å | |
| N09 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
| N09 | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| N17 | C18 | doub | 1.33Å | 1.41Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C18 | C12 | sing | 1.41Å | 1.36Å | Aromatic |
| C16 | N15 | doub | 1.32Å | 1.36Å | Aromatic |
| C10 | N11 | doub | 1.30Å | 1.37Å | Aromatic |
| C12 | N11 | sing | 1.35Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.44Å | Aromatic |
| N15 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| C13 | N14 | sing | 1.38Å | 1.47Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| O04 | H4 | sing | 0.97Å | 0.95Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| O07 | H8 | sing | 0.97Å | 0.95Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | C05 | 107.5° | 109.5° |
| O07 | C06 | H6 | 110.0° | 109.5° |
| O07 | C06 | H7 | 110.0° | 109.5° |
| C06 | O07 | H8 | 109.5° | 114.0° |
| C06 | C05 | C02 | 110.6° | 114.6° |
| C06 | C05 | C08 | 112.9° | 114.6° |
| C06 | C05 | H5 | 112.9° | 113.6° |
| C05 | C06 | H6 | 110.0° | 109.4° |
| C05 | C06 | H7 | 110.0° | 109.5° |
| C03 | C02 | O01 | 114.9° | 113.4° |
| C03 | C02 | C05 | 114.5° | 113.4° |
| C02 | C03 | O04 | 108.5° | 109.4° |
| C03 | C02 | H1 | 111.1° | 112.7° |
| C02 | C03 | H2 | 109.7° | 109.5° |
| C02 | C03 | H3 | 109.7° | 109.5° |
| O01 | C02 | C05 | 89.7° | 88.4° |
| C02 | O01 | C08 | 90.2° | 88.3° |
| O01 | C02 | H1 | 112.7° | 113.4° |
| C02 | C05 | C08 | 90.0° | 81.2° |
| C05 | C02 | H1 | 112.5° | 113.4° |
| C02 | C05 | H5 | 114.2° | 114.5° |
| O04 | C03 | H2 | 109.7° | 109.5° |
| O04 | C03 | H3 | 109.7° | 109.4° |
| C03 | O04 | H4 | 109.5° | 114.0° |
| O01 | C08 | C05 | 89.0° | 88.5° |
| O01 | C08 | N09 | 108.0° | 113.4° |
| O01 | C08 | H9 | 110.2° | 113.4° |
| C05 | C08 | N09 | 125.3° | 113.4° |
| C08 | C05 | H5 | 114.3° | 114.6° |
| C05 | C08 | H9 | 110.3° | 113.4° |
| C08 | N09 | C18 | 129.0° | 126.3° |
| C08 | N09 | C10 | 124.0° | 126.2° |
| N09 | C08 | H9 | 111.2° | 112.7° |
| C18 | N09 | C10 | 107.1° | 107.5° |
| N09 | C18 | N17 | 132.5° | 134.9° |
| N09 | C18 | C12 | 108.4° | 106.0° |
| N09 | C10 | N11 | 108.0° | 109.9° |
| N09 | C10 | H10 | 126.0° | 125.0° |
| C18 | N17 | C16 | 120.1° | 120.7° |
| N17 | C18 | C12 | 119.1° | 119.1° |
| N17 | C16 | N15 | 121.4° | 122.4° |
| N17 | C16 | H13 | 119.3° | 118.8° |
| C18 | C12 | N11 | 108.6° | 107.1° |
| C18 | C12 | C13 | 120.0° | 118.2° |
| C16 | N15 | C13 | 121.1° | 121.2° |
| N15 | C16 | H13 | 119.3° | 118.8° |
| C10 | N11 | C12 | 108.0° | 109.5° |
| N11 | C10 | H10 | 126.0° | 125.0° |
| N11 | C12 | C13 | 131.5° | 134.7° |
| C12 | C13 | N15 | 118.4° | 118.4° |
| C12 | C13 | N14 | 120.4° | 120.8° |
| N15 | C13 | N14 | 121.1° | 120.8° |
| C13 | N14 | H11 | 109.5° | 120.0° |
| C13 | N14 | H12 | 109.5° | 120.0° |
| H2 | C03 | H3 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H11 | N14 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | C05 | H6 | 119.7° | 120.0° |
| O07 | C06 | C05 | H7 | 119.7° | 120.0° |
| O07 | C06 | C05 | C02 | 54.7° | 84.5° |
| O07 | C06 | C05 | C08 | 44.5° | 175.9° |
| O07 | C06 | C05 | H5 | 176.0° | 49.8° |
| O07 | C06 | H6 | H7 | 120.9° | 120.0° |
| C06 | C05 | C02 | C03 | 120.5° | 105.5° |
| C06 | C05 | C02 | O01 | 122.1° | 139.6° |
| C06 | C05 | C02 | C08 | 114.5° | 113.1° |
| C06 | C05 | C02 | H5 | 128.7° | 133.8° |
| C06 | C05 | C08 | O01 | 119.9° | 139.6° |
| C06 | C05 | C08 | H5 | 130.8° | 133.9° |
| C06 | C05 | C08 | N09 | 128.6° | 105.5° |
| C06 | C05 | C02 | H1 | 7.5° | 24.7° |
| C05 | C06 | H6 | H7 | 121.0° | 120.0° |
| C05 | C06 | O07 | H8 | 180.0° | 180.0° |
| C06 | C05 | C08 | H9 | 8.7° | 24.7° |
| C03 | C02 | O01 | C05 | 117.0° | 114.9° |
| C03 | C02 | O01 | H1 | 128.6° | 130.2° |
| C03 | C02 | C05 | H1 | 128.0° | 130.2° |
| C02 | C03 | O04 | H2 | 119.8° | 120.0° |
| C02 | C03 | O04 | H3 | 119.9° | 119.9° |
| C03 | C02 | O01 | C08 | 124.5° | 143.0° |
| C03 | C02 | C05 | C08 | 124.9° | 141.4° |
| C02 | C03 | H2 | H3 | 120.5° | 120.0° |
| C02 | C03 | O04 | H4 | 180.0° | 180.0° |
| C03 | C02 | C05 | H5 | 8.1° | 28.3° |
| O01 | C02 | C05 | H1 | 114.6° | 114.9° |
| O01 | C02 | C03 | O04 | 73.8° | 84.5° |
| O01 | C02 | C05 | C08 | 7.5° | 26.5° |
| C02 | O01 | C08 | N09 | 134.6° | 143.1° |
| O01 | C02 | C03 | H2 | 46.0° | 155.4° |
| O01 | C02 | C03 | H3 | 166.4° | 35.4° |
| O01 | C02 | C05 | H5 | 109.3° | 86.6° |
| C02 | O01 | C08 | H9 | 103.8° | 86.7° |
| C05 | C02 | C03 | O04 | 28.0° | 176.6° |
| C02 | C05 | C08 | H5 | 116.8° | 113.0° |
| C02 | C05 | C08 | N09 | 119.0° | 141.4° |
| C05 | C02 | C03 | H2 | 147.9° | 56.6° |
| C05 | C02 | C03 | H3 | 91.8° | 63.5° |
| C02 | C05 | C06 | H6 | 65.0° | 35.5° |
| C02 | C05 | C06 | H7 | 174.3° | 155.5° |
| C02 | C05 | C08 | H9 | 103.8° | 88.4° |
| O04 | C03 | C02 | H1 | 156.8° | 46.1° |
| O04 | C03 | H2 | H3 | 120.4° | 120.0° |
| O01 | C08 | C05 | N09 | 111.6° | 114.9° |
| O01 | C08 | C05 | H9 | 111.2° | 114.9° |
| O01 | C08 | N09 | H9 | 121.0° | 130.6° |
| O01 | C08 | N09 | C18 | 113.0° | 174.5° |
| O01 | C08 | N09 | C10 | 66.1° | 5.8° |
| C08 | O01 | C02 | H1 | 106.9° | 86.7° |
| O01 | C08 | C05 | H5 | 109.3° | 86.5° |
| C05 | C08 | N09 | H9 | 136.9° | 130.5° |
| C05 | C08 | N09 | C18 | 144.9° | 86.5° |
| C05 | C08 | N09 | C10 | 35.9° | 93.2° |
| C08 | C05 | C02 | H1 | 107.0° | 88.4° |
| C08 | C05 | C06 | H6 | 164.2° | 55.9° |
| C08 | C05 | C06 | H7 | 75.2° | 64.0° |
| C08 | N09 | C18 | C10 | 179.3° | 179.7° |
| C08 | N09 | C18 | N17 | 1.0° | 0.8° |
| C08 | N09 | C18 | C12 | 179.6° | 179.9° |
| C08 | N09 | C10 | N11 | 179.6° | 180.0° |
| N09 | C08 | C05 | H5 | 2.2° | 28.4° |
| C08 | N09 | C10 | H10 | 0.4° | 0.0° |
| N09 | C18 | N17 | C12 | 179.4° | 179.0° |
| N09 | C18 | N17 | C16 | 179.7° | 179.6° |
| C18 | N09 | C10 | N11 | 0.3° | 0.2° |
| N09 | C18 | C12 | N11 | 0.3° | 0.4° |
| N09 | C18 | C12 | C13 | 179.5° | 179.8° |
| C18 | N09 | C08 | H9 | 8.0° | 44.0° |
| C18 | N09 | C10 | H10 | 179.7° | 179.7° |
| C10 | N09 | C18 | N17 | 179.7° | 179.5° |
| C10 | N09 | C18 | C12 | 0.3° | 0.4° |
| N09 | C10 | N11 | H10 | 180.0° | 180.0° |
| N09 | C10 | N11 | C12 | 0.1° | 0.0° |
| C10 | N09 | C08 | H9 | 172.9° | 136.4° |
| C18 | N17 | C16 | N15 | 0.5° | 0.3° |
| N17 | C18 | C12 | N11 | 179.8° | 179.7° |
| N17 | C18 | C12 | C13 | 0.0° | 0.6° |
| C18 | N17 | C16 | H13 | 179.5° | 179.7° |
| C16 | N17 | C18 | C12 | 0.3° | 0.6° |
| N17 | C16 | N15 | H13 | 180.0° | 180.0° |
| N17 | C16 | N15 | C13 | 0.3° | 0.0° |
| C18 | C12 | N11 | C10 | 0.1° | 0.3° |
| C18 | C12 | N11 | C13 | 179.8° | 179.7° |
| C18 | C12 | C13 | N15 | 0.1° | 0.3° |
| C18 | C12 | C13 | N14 | 179.7° | 179.7° |
| C16 | N15 | C13 | C12 | 0.0° | 0.0° |
| C16 | N15 | C13 | N14 | 179.6° | 180.0° |
| C10 | N11 | C12 | C13 | 179.7° | 180.0° |
| N11 | C12 | C13 | N15 | 179.9° | 180.0° |
| N11 | C12 | C13 | N14 | 0.5° | 0.0° |
| C12 | N11 | C10 | H10 | 179.9° | 180.0° |
| C12 | C13 | N15 | N14 | 179.6° | 180.0° |
| C12 | C13 | N14 | H11 | 179.6° | 0.1° |
| C12 | C13 | N14 | H12 | 59.5° | 180.0° |
| N15 | C13 | N14 | H11 | 0.0° | 179.9° |
| N15 | C13 | N14 | H12 | 120.0° | 0.0° |
| C13 | N15 | C16 | H13 | 179.7° | 180.0° |
| C13 | N14 | H11 | H12 | 120.0° | 179.9° |
| H1 | C02 | C03 | H2 | 83.3° | 74.0° |
| H1 | C02 | C03 | H3 | 37.0° | 166.0° |
| H1 | C02 | C05 | H5 | 136.2° | 158.5° |
| H2 | C03 | O04 | H4 | 60.2° | 60.0° |
| H3 | C03 | O04 | H4 | 60.1° | 60.1° |
| H5 | C05 | C06 | H6 | 64.4° | 169.8° |
| H5 | C05 | C06 | H7 | 56.3° | 70.3° |
| H5 | C05 | C08 | H9 | 139.5° | 158.5° |
| H6 | C06 | O07 | H8 | 60.3° | 60.0° |
| H7 | C06 | O07 | H8 | 60.3° | 60.0° |
