9UG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N14 | sing | 1.46Å | 1.46Å | |
| O13 | C12 | doub | 1.22Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.35Å | |
| C12 | N11 | sing | 1.35Å | 1.35Å | |
| C10 | N11 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| N11 | C5 | sing | 1.41Å | 1.41Å | |
| C9 | C16 | sing | 1.53Å | 1.53Å | |
| C9 | O8 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O8 | C6 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| N14 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | C12 | 120.0° | 120.0° |
| N14 | C15 | H10 | 109.5° | 109.4° |
| N14 | C15 | H11 | 109.5° | 109.5° |
| N14 | C15 | H12 | 109.5° | 109.5° |
| C15 | N14 | H16 | 120.0° | 120.1° |
| O13 | C12 | N14 | 119.5° | 120.0° |
| O13 | C12 | N11 | 118.9° | 120.0° |
| N14 | C12 | N11 | 121.6° | 120.0° |
| C12 | N14 | H16 | 120.0° | 119.9° |
| C12 | N11 | C10 | 120.6° | 121.2° |
| C12 | N11 | C5 | 125.9° | 121.2° |
| N11 | C10 | C9 | 104.0° | 107.6° |
| C10 | N11 | C5 | 113.4° | 117.6° |
| N11 | C10 | H4 | 110.8° | 109.9° |
| N11 | C10 | H5 | 110.8° | 109.8° |
| C10 | C9 | C16 | 109.8° | 109.6° |
| C10 | C9 | O8 | 111.5° | 108.8° |
| C10 | C9 | H3 | 108.0° | 109.7° |
| C9 | C10 | H4 | 110.8° | 109.9° |
| C9 | C10 | H5 | 110.8° | 109.8° |
| N11 | C5 | C4 | 123.8° | 120.1° |
| N11 | C5 | C6 | 115.8° | 119.7° |
| C16 | C9 | O8 | 110.1° | 109.6° |
| C16 | C9 | H3 | 108.1° | 109.6° |
| C9 | C16 | H13 | 109.5° | 109.5° |
| C9 | C16 | H14 | 109.5° | 109.5° |
| C9 | C16 | H15 | 109.5° | 109.5° |
| C9 | O8 | C6 | 120.9° | 117.8° |
| O8 | C9 | H3 | 109.3° | 109.5° |
| C4 | C5 | C6 | 120.4° | 120.2° |
| C5 | C4 | C3 | 119.6° | 119.9° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C5 | C6 | O8 | 121.0° | 120.8° |
| C5 | C6 | C7 | 119.6° | 119.5° |
| C4 | C3 | C2 | 119.9° | 120.1° |
| C3 | C4 | H1 | 120.2° | 120.1° |
| C4 | C3 | H6 | 120.0° | 120.0° |
| O8 | C6 | C7 | 119.4° | 119.7° |
| C6 | C7 | C2 | 119.8° | 120.1° |
| C6 | C7 | H2 | 120.1° | 120.0° |
| C3 | C2 | C7 | 120.7° | 120.3° |
| C3 | C2 | C1 | 120.0° | 119.8° |
| C2 | C3 | H6 | 120.1° | 119.9° |
| C7 | C2 | C1 | 119.4° | 119.9° |
| C2 | C7 | H2 | 120.1° | 119.9° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.4° | 109.9° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.4° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N14 | C12 | O13 | 0.4° | 5.1° |
| C15 | N14 | C12 | H16 | 180.0° | 180.0° |
| C15 | N14 | C12 | N11 | 179.8° | 174.9° |
| N14 | C15 | H10 | H11 | 120.0° | 120.0° |
| N14 | C15 | H10 | H12 | 120.0° | 120.0° |
| N14 | C15 | H11 | H12 | 120.0° | 120.0° |
| O13 | C12 | N14 | N11 | 179.7° | 180.0° |
| O13 | C12 | N11 | C10 | 1.7° | 175.9° |
| O13 | C12 | N11 | C5 | 178.4° | 4.1° |
| O13 | C12 | N14 | H16 | 179.6° | 174.8° |
| N14 | C12 | N11 | C10 | 178.5° | 4.1° |
| N14 | C12 | N11 | C5 | 1.9° | 175.9° |
| C12 | N14 | C15 | H10 | 180.0° | 179.9° |
| C12 | N14 | C15 | H11 | 60.0° | 60.1° |
| C12 | N14 | C15 | H12 | 60.0° | 60.0° |
| C12 | N11 | C10 | C5 | 177.0° | 180.0° |
| C12 | N11 | C10 | C9 | 111.8° | 137.9° |
| C12 | N11 | C5 | C4 | 44.9° | 13.9° |
| C12 | N11 | C5 | C6 | 136.5° | 166.1° |
| C12 | N11 | C10 | H4 | 7.4° | 102.5° |
| C12 | N11 | C10 | H5 | 129.1° | 18.4° |
| N11 | C12 | N14 | H16 | 0.2° | 5.2° |
| N11 | C10 | C9 | H4 | 119.1° | 119.6° |
| N11 | C10 | C9 | H5 | 119.1° | 119.5° |
| N11 | C10 | C9 | C16 | 174.2° | 178.0° |
| N11 | C10 | C9 | O8 | 51.9° | 58.2° |
| C10 | N11 | C5 | C4 | 138.3° | 166.2° |
| C10 | N11 | C5 | C6 | 40.4° | 13.9° |
| N11 | C10 | C9 | H3 | 68.1° | 61.7° |
| N11 | C10 | H4 | H5 | 122.5° | 120.9° |
| C9 | C10 | N11 | C5 | 65.2° | 42.0° |
| C10 | C9 | C16 | O8 | 123.1° | 119.4° |
| C10 | C9 | C16 | H3 | 117.6° | 120.4° |
| C10 | C9 | O8 | H3 | 119.3° | 119.9° |
| C10 | C9 | O8 | C6 | 17.0° | 49.4° |
| C9 | C10 | H4 | H5 | 122.5° | 120.9° |
| C10 | C9 | C16 | H13 | 180.0° | 179.3° |
| C10 | C9 | C16 | H14 | 60.0° | 60.6° |
| C10 | C9 | C16 | H15 | 60.0° | 59.3° |
| N11 | C5 | C4 | C6 | 178.6° | 179.9° |
| N11 | C5 | C4 | C3 | 179.7° | 179.7° |
| N11 | C5 | C6 | O8 | 0.6° | 0.5° |
| N11 | C5 | C6 | C7 | 179.7° | 179.6° |
| N11 | C5 | C4 | H1 | 0.3° | 0.5° |
| C5 | N11 | C10 | H4 | 175.6° | 77.5° |
| C5 | N11 | C10 | H5 | 53.9° | 161.5° |
| C16 | C9 | O8 | H3 | 118.6° | 120.2° |
| C16 | C9 | O8 | C6 | 139.2° | 169.3° |
| C16 | C9 | C10 | H4 | 66.6° | 58.4° |
| C16 | C9 | C10 | H5 | 55.1° | 62.5° |
| C9 | C16 | H13 | H14 | 120.0° | 120.0° |
| C9 | C16 | H13 | H15 | 120.0° | 120.0° |
| C9 | C16 | H14 | H15 | 120.0° | 120.0° |
| C9 | O8 | C6 | C5 | 11.5° | 20.3° |
| C9 | O8 | C6 | C7 | 168.8° | 159.9° |
| O8 | C9 | C10 | H4 | 171.1° | 61.4° |
| O8 | C9 | C10 | H5 | 67.2° | 177.7° |
| O8 | C9 | C16 | H13 | 56.9° | 60.0° |
| O8 | C9 | C16 | H14 | 176.9° | 180.0° |
| O8 | C9 | C16 | H15 | 63.1° | 60.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | O8 | 179.3° | 179.5° |
| C4 | C5 | C6 | C7 | 1.0° | 0.3° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | H6 | 179.4° | 179.8° |
| C6 | C5 | C4 | C3 | 1.1° | 0.2° |
| C5 | C6 | O8 | C7 | 179.7° | 179.8° |
| C5 | C6 | C7 | C2 | 0.4° | 0.2° |
| C6 | C5 | C4 | H1 | 178.9° | 179.6° |
| C5 | C6 | C7 | H2 | 179.6° | 179.8° |
| C4 | C3 | C2 | H6 | 180.0° | 179.7° |
| C4 | C3 | C2 | C7 | 0.0° | 0.1° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| O8 | C6 | C7 | C2 | 179.9° | 179.6° |
| O8 | C6 | C7 | H2 | 0.1° | 0.4° |
| C6 | O8 | C9 | H3 | 102.2° | 70.5° |
| C6 | C7 | C2 | C3 | 0.1° | 0.0° |
| C6 | C7 | C2 | H2 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 179.9° | 180.0° |
| C3 | C2 | C7 | C1 | 179.8° | 180.0° |
| C2 | C3 | C4 | H1 | 179.4° | 179.7° |
| C3 | C2 | C7 | H2 | 179.9° | 179.9° |
| C3 | C2 | C1 | H7 | 90.1° | 90.0° |
| C3 | C2 | C1 | H8 | 149.9° | 30.0° |
| C3 | C2 | C1 | H9 | 29.9° | 150.0° |
| C7 | C2 | C3 | H6 | 180.0° | 179.7° |
| C7 | C2 | C1 | H7 | 90.1° | 89.9° |
| C7 | C2 | C1 | H8 | 29.9° | 150.0° |
| C7 | C2 | C1 | H9 | 149.9° | 30.0° |
| C1 | C2 | C7 | H2 | 0.1° | 0.1° |
| C1 | C2 | C3 | H6 | 0.2° | 0.3° |
| C2 | C1 | H7 | H8 | 120.0° | 120.1° |
| C2 | C1 | H7 | H9 | 120.0° | 119.9° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| H1 | C4 | C3 | H6 | 0.6° | 0.0° |
| H3 | C9 | C10 | H4 | 51.0° | 178.8° |
| H3 | C9 | C10 | H5 | 172.8° | 57.8° |
| H3 | C9 | C16 | H13 | 62.4° | 60.2° |
| H3 | C9 | C16 | H14 | 57.6° | 59.8° |
| H3 | C9 | C16 | H15 | 177.6° | 179.7° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H10 | C15 | N14 | H16 | 0.0° | 0.0° |
| H11 | C15 | N14 | H16 | 120.0° | 120.0° |
| H12 | C15 | N14 | H16 | 120.0° | 120.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
