OH7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.42Å | |
| C04 | N05 | sing | 1.37Å | 1.35Å | Aromatic |
| C04 | C03 | doub | 1.35Å | 1.39Å | Aromatic |
| N05 | C06 | sing | 1.35Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C03 | N15 | sing | 1.34Å | 1.32Å | Aromatic |
| C06 | N15 | doub | 1.31Å | 1.33Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| O14 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| O01 | H6 | sing | 0.97Å | 0.95Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 112.2° | 109.5° |
| C02 | O01 | H6 | 109.5° | 114.0° |
| O01 | C02 | H7 | 108.8° | 109.5° |
| O01 | C02 | H8 | 108.8° | 109.4° |
| N05 | C04 | C03 | 106.1° | 106.8° |
| C04 | N05 | C06 | 108.5° | 107.2° |
| N05 | C04 | H9 | 126.9° | 126.6° |
| C04 | N05 | H10 | 125.8° | 126.3° |
| C04 | C03 | C02 | 127.0° | 125.9° |
| C04 | C03 | N15 | 108.2° | 108.0° |
| C03 | C04 | H9 | 127.0° | 126.6° |
| N05 | C06 | N15 | 107.7° | 108.7° |
| N05 | C06 | C07 | 126.5° | 125.7° |
| C06 | N05 | H10 | 125.7° | 126.4° |
| C02 | C03 | N15 | 124.7° | 126.0° |
| C03 | C02 | H7 | 108.8° | 109.5° |
| C03 | C02 | H8 | 108.8° | 109.5° |
| C03 | N15 | C06 | 109.5° | 109.3° |
| N15 | C06 | C07 | 125.8° | 125.6° |
| C06 | C07 | C08 | 116.0° | 109.5° |
| C06 | C07 | H11 | 107.8° | 109.5° |
| C06 | C07 | H12 | 107.8° | 109.5° |
| C07 | C08 | C09 | 112.9° | 109.5° |
| C08 | C07 | H11 | 107.8° | 109.5° |
| C08 | C07 | H12 | 107.8° | 109.5° |
| C07 | C08 | H13 | 108.6° | 109.5° |
| C07 | C08 | H14 | 108.6° | 109.4° |
| C08 | C09 | C10 | 114.3° | 109.5° |
| C09 | C08 | H13 | 108.6° | 109.5° |
| C09 | C08 | H14 | 108.6° | 109.5° |
| C08 | C09 | H15 | 108.3° | 109.5° |
| C08 | C09 | H16 | 108.2° | 109.5° |
| C09 | C10 | N11 | 110.3° | 109.5° |
| C09 | C10 | H1 | 109.3° | 109.5° |
| C09 | C10 | H2 | 109.3° | 109.4° |
| C10 | C09 | H15 | 108.2° | 109.4° |
| C10 | C09 | H16 | 108.3° | 109.5° |
| C10 | N11 | C12 | 123.9° | 120.0° |
| N11 | C10 | H1 | 109.3° | 109.5° |
| N11 | C10 | H2 | 109.3° | 109.4° |
| C10 | N11 | H17 | 118.0° | 120.0° |
| N11 | C12 | O14 | 121.1° | 120.0° |
| N11 | C12 | C13 | 117.8° | 120.0° |
| C12 | N11 | H17 | 118.0° | 120.0° |
| O14 | C12 | C13 | 121.1° | 120.0° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.5° | 109.4° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 4.4° | 0.3° |
| O01 | C02 | C03 | H7 | 120.4° | 120.0° |
| O01 | C02 | C03 | H8 | 120.4° | 120.0° |
| O01 | C02 | C03 | N15 | 178.8° | 180.0° |
| O01 | C02 | H7 | H8 | 118.7° | 119.9° |
| N05 | C04 | C03 | H9 | 180.0° | 180.0° |
| C04 | N05 | C06 | H10 | 180.0° | 180.0° |
| N05 | C04 | C03 | C02 | 179.2° | 179.9° |
| N05 | C04 | C03 | N15 | 2.0° | 0.2° |
| C04 | N05 | C06 | N15 | 0.2° | 0.2° |
| C04 | N05 | C06 | C07 | 177.4° | 180.0° |
| C03 | C04 | N05 | C06 | 1.3° | 0.0° |
| C04 | C03 | C02 | N15 | 176.8° | 179.7° |
| C04 | C03 | N15 | C06 | 1.9° | 0.4° |
| C04 | C03 | C02 | H7 | 124.8° | 119.7° |
| C04 | C03 | C02 | H8 | 116.0° | 120.3° |
| C03 | C04 | N05 | H10 | 178.7° | 180.0° |
| N05 | C06 | N15 | C03 | 1.1° | 0.4° |
| N05 | C06 | N15 | C07 | 177.6° | 179.8° |
| N05 | C06 | C07 | C08 | 50.6° | 125.0° |
| C06 | N05 | C04 | H9 | 178.7° | 180.0° |
| N05 | C06 | C07 | H11 | 171.5° | 115.0° |
| N05 | C06 | C07 | H12 | 70.3° | 5.0° |
| C02 | C03 | N15 | C06 | 179.2° | 179.9° |
| C03 | C02 | O01 | H6 | 180.0° | 180.0° |
| C03 | C02 | H7 | H8 | 118.8° | 120.0° |
| C02 | C03 | C04 | H9 | 0.8° | 0.1° |
| C03 | N15 | C06 | C07 | 178.7° | 179.8° |
| N15 | C03 | C02 | H7 | 58.4° | 59.9° |
| N15 | C03 | C02 | H8 | 60.8° | 60.0° |
| N15 | C03 | C04 | H9 | 178.0° | 179.8° |
| N15 | C06 | C07 | C08 | 132.3° | 54.8° |
| N15 | C06 | N05 | H10 | 179.8° | 179.8° |
| N15 | C06 | C07 | H11 | 11.3° | 65.3° |
| N15 | C06 | C07 | H12 | 106.8° | 174.8° |
| C06 | C07 | C08 | H11 | 120.9° | 120.0° |
| C06 | C07 | C08 | H12 | 120.9° | 120.0° |
| C06 | C07 | C08 | C09 | 179.8° | 180.0° |
| C07 | C06 | N05 | H10 | 2.6° | 0.0° |
| C06 | C07 | H11 | H12 | 117.0° | 120.0° |
| C06 | C07 | C08 | H13 | 59.3° | 60.0° |
| C06 | C07 | C08 | H14 | 59.7° | 60.0° |
| C07 | C08 | C09 | H13 | 120.5° | 120.0° |
| C07 | C08 | C09 | H14 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 77.6° | 180.0° |
| C08 | C07 | H11 | H12 | 117.0° | 120.0° |
| C07 | C08 | H13 | H14 | 118.4° | 120.0° |
| C07 | C08 | C09 | H15 | 43.1° | 60.0° |
| C07 | C08 | C09 | H16 | 161.7° | 60.0° |
| C08 | C09 | C10 | H15 | 120.7° | 120.0° |
| C08 | C09 | C10 | H16 | 120.7° | 120.1° |
| C08 | C09 | C10 | N11 | 58.9° | 180.0° |
| C08 | C09 | C10 | H1 | 61.2° | 60.0° |
| C08 | C09 | C10 | H2 | 179.0° | 60.0° |
| C09 | C08 | C07 | H11 | 59.3° | 60.0° |
| C09 | C08 | C07 | H12 | 58.8° | 60.0° |
| C09 | C08 | H13 | H14 | 118.4° | 120.0° |
| C08 | C09 | H15 | H16 | 117.8° | 120.0° |
| C09 | C10 | N11 | H1 | 120.2° | 120.1° |
| C09 | C10 | N11 | H2 | 120.1° | 120.0° |
| C09 | C10 | N11 | C12 | 111.0° | 180.0° |
| C09 | C10 | H1 | H2 | 119.6° | 120.0° |
| C10 | C09 | C08 | H13 | 161.9° | 60.0° |
| C10 | C09 | C08 | H14 | 43.0° | 60.1° |
| C10 | C09 | H15 | H16 | 117.8° | 120.0° |
| C09 | C10 | N11 | H17 | 69.0° | 0.1° |
| C10 | N11 | C12 | H17 | 180.0° | 179.9° |
| C10 | N11 | C12 | O14 | 0.8° | 0.1° |
| C10 | N11 | C12 | C13 | 179.4° | 180.0° |
| N11 | C10 | H1 | H2 | 119.6° | 119.9° |
| N11 | C10 | C09 | H15 | 179.6° | 60.0° |
| N11 | C10 | C09 | H16 | 61.8° | 59.9° |
| N11 | C12 | O14 | C13 | 178.6° | 179.9° |
| C12 | N11 | C10 | H1 | 9.1° | 59.9° |
| C12 | N11 | C10 | H2 | 128.8° | 60.0° |
| N11 | C12 | C13 | H3 | 178.6° | 0.1° |
| N11 | C12 | C13 | H4 | 61.4° | 120.0° |
| N11 | C12 | C13 | H5 | 58.6° | 120.0° |
| O14 | C12 | C13 | H3 | 0.0° | 180.0° |
| O14 | C12 | C13 | H4 | 120.0° | 60.1° |
| O14 | C12 | C13 | H5 | 120.0° | 60.0° |
| O14 | C12 | N11 | H17 | 179.2° | 180.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C12 | N11 | H17 | 0.6° | 0.1° |
| H1 | C10 | C09 | H15 | 59.5° | 60.0° |
| H1 | C10 | C09 | H16 | 178.1° | 180.0° |
| H1 | C10 | N11 | H17 | 170.9° | 120.0° |
| H2 | C10 | C09 | H15 | 60.2° | 180.0° |
| H2 | C10 | C09 | H16 | 58.4° | 60.1° |
| H2 | C10 | N11 | H17 | 51.2° | 120.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | O01 | C02 | H7 | 59.6° | 60.0° |
| H6 | O01 | C02 | H8 | 59.6° | 59.9° |
| H9 | C04 | N05 | H10 | 1.3° | 0.0° |
| H11 | C07 | C08 | H13 | 179.8° | 179.9° |
| H11 | C07 | C08 | H14 | 61.2° | 60.0° |
| H12 | C07 | C08 | H13 | 61.7° | 60.0° |
| H12 | C07 | C08 | H14 | 179.4° | 180.0° |
| H13 | C08 | C09 | H15 | 77.4° | 60.0° |
| H13 | C08 | C09 | H16 | 41.2° | 180.0° |
| H14 | C08 | C09 | H15 | 163.7° | 180.0° |
| H14 | C08 | C09 | H16 | 77.7° | 60.0° |
