U9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C8 | C5 | sing | 1.54Å | 1.54Å | |
| C6 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C9 | sing | 1.54Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C9 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C10 | sing | 1.51Å | 1.49Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N2 | sing | 1.35Å | 1.39Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| N2 | C1 | sing | 1.34Å | 1.42Å | |
| N2 | C11 | sing | 1.40Å | 1.44Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C11 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | F1 | sing | 1.35Å | 1.36Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 87.2° | 87.2° |
| C7 | C8 | C5 | 87.8° | 87.0° |
| C8 | C7 | H5 | 114.7° | 113.6° |
| C8 | C7 | H6 | 114.7° | 113.6° |
| C7 | C8 | H7 | 114.6° | 113.6° |
| C7 | C8 | H8 | 114.6° | 113.7° |
| C7 | C6 | C5 | 88.2° | 87.1° |
| C7 | C6 | H3 | 114.5° | 113.6° |
| C7 | C6 | H4 | 114.5° | 113.7° |
| C6 | C7 | H5 | 114.8° | 113.5° |
| C6 | C7 | H6 | 114.7° | 113.7° |
| C8 | C5 | C6 | 87.4° | 87.1° |
| C8 | C5 | C4 | 119.2° | 113.6° |
| C8 | C5 | H2 | 111.3° | 113.6° |
| C5 | C8 | H7 | 114.6° | 113.6° |
| C5 | C8 | H8 | 114.6° | 113.7° |
| C6 | C5 | C4 | 113.9° | 113.6° |
| C6 | C5 | H2 | 111.5° | 113.6° |
| C5 | C6 | H3 | 114.5° | 113.6° |
| C5 | C6 | H4 | 114.5° | 113.5° |
| C5 | C4 | C9 | 120.5° | 113.6° |
| C5 | C4 | C3 | 119.1° | 113.6° |
| C5 | C4 | H1 | 108.6° | 112.9° |
| C4 | C5 | H2 | 111.5° | 112.9° |
| C9 | C4 | C3 | 90.2° | 87.3° |
| C4 | C9 | C2 | 89.5° | 86.8° |
| C9 | C4 | H1 | 108.4° | 113.6° |
| C4 | C9 | H9 | 114.2° | 113.7° |
| C4 | C9 | H10 | 114.2° | 113.6° |
| C4 | C3 | C2 | 89.6° | 86.8° |
| C3 | C4 | H1 | 108.5° | 113.6° |
| C4 | C3 | H14 | 114.2° | 113.7° |
| C4 | C3 | H15 | 114.2° | 113.7° |
| C9 | C2 | C3 | 89.9° | 88.1° |
| C9 | C2 | C10 | 112.1° | 115.9° |
| C9 | C2 | N1 | 118.7° | 116.1° |
| C2 | C9 | H9 | 114.2° | 113.7° |
| C2 | C9 | H10 | 114.2° | 113.7° |
| C3 | C2 | C10 | 112.8° | 116.0° |
| C3 | C2 | N1 | 120.1° | 116.1° |
| C2 | C3 | H14 | 114.2° | 113.7° |
| C2 | C3 | H15 | 114.2° | 113.6° |
| C10 | C2 | N1 | 103.4° | 104.7° |
| C2 | C10 | O2 | 126.7° | 127.4° |
| C2 | C10 | N2 | 106.0° | 105.2° |
| C2 | N1 | C1 | 111.7° | 106.1° |
| C2 | N1 | H13 | 124.1° | 126.9° |
| O2 | C10 | N2 | 127.3° | 127.4° |
| C10 | N2 | C1 | 111.4° | 111.6° |
| C10 | N2 | C11 | 123.9° | 124.2° |
| N1 | C1 | N2 | 106.3° | 112.4° |
| N1 | C1 | O1 | 129.0° | 123.8° |
| C1 | N1 | H13 | 124.2° | 127.0° |
| C1 | N2 | C11 | 124.7° | 124.2° |
| N2 | C1 | O1 | 124.6° | 123.8° |
| N2 | C11 | C12 | 119.5° | 120.4° |
| N2 | C11 | C15 | 121.5° | 120.5° |
| C11 | C12 | N3 | 122.6° | 120.7° |
| C12 | C11 | C15 | 119.0° | 119.1° |
| C11 | C12 | H11 | 118.7° | 119.6° |
| C12 | N3 | C13 | 118.8° | 121.8° |
| N3 | C12 | H11 | 118.7° | 119.6° |
| C11 | C15 | C14 | 117.6° | 118.3° |
| C11 | C15 | H16 | 121.2° | 120.8° |
| N3 | C13 | C14 | 120.9° | 120.9° |
| N3 | C13 | H12 | 119.5° | 119.6° |
| C15 | C14 | C13 | 121.0° | 119.2° |
| C15 | C14 | F1 | 120.3° | 120.4° |
| C14 | C15 | H16 | 121.2° | 120.8° |
| C13 | C14 | F1 | 118.8° | 120.4° |
| C14 | C13 | H12 | 119.5° | 119.5° |
| H3 | C6 | H4 | 109.5° | 112.9° |
| H5 | C7 | H6 | 109.4° | 112.9° |
| H7 | C8 | H8 | 109.4° | 112.9° |
| H9 | C9 | H10 | 109.5° | 112.9° |
| H14 | C3 | H15 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H5 | 116.0° | 114.6° |
| C8 | C7 | C6 | H6 | 116.0° | 114.6° |
| C7 | C8 | C5 | H7 | 116.1° | 114.5° |
| C7 | C8 | C5 | H8 | 116.1° | 114.6° |
| C8 | C7 | C6 | C5 | 23.0° | 25.3° |
| C7 | C8 | C5 | C4 | 93.1° | 139.9° |
| C7 | C8 | C5 | H2 | 135.0° | 89.2° |
| C8 | C7 | C6 | H3 | 139.2° | 139.9° |
| C8 | C7 | C6 | H4 | 93.2° | 89.1° |
| C8 | C7 | H5 | H6 | 130.6° | 131.2° |
| C7 | C8 | H7 | H8 | 130.3° | 131.3° |
| C7 | C6 | C5 | H3 | 116.2° | 114.6° |
| C7 | C6 | C5 | H4 | 116.2° | 114.6° |
| C7 | C6 | C5 | C4 | 98.1° | 139.9° |
| C7 | C6 | C5 | H2 | 134.8° | 89.2° |
| C7 | C6 | H3 | H4 | 130.1° | 131.4° |
| C6 | C7 | H5 | H6 | 130.6° | 131.2° |
| C6 | C7 | C8 | H7 | 93.4° | 89.1° |
| C6 | C7 | C8 | H8 | 138.9° | 140.0° |
| C8 | C5 | C6 | C4 | 120.9° | 114.6° |
| C8 | C5 | C6 | H2 | 111.9° | 114.6° |
| C8 | C5 | C4 | H2 | 131.8° | 131.2° |
| C8 | C5 | C4 | C9 | 61.7° | 80.9° |
| C8 | C5 | C4 | C3 | 171.1° | 178.6° |
| C8 | C5 | C4 | H1 | 64.2° | 50.3° |
| C8 | C5 | C6 | H3 | 139.1° | 139.9° |
| C8 | C5 | C6 | H4 | 93.3° | 89.3° |
| C5 | C8 | C7 | H5 | 93.3° | 89.2° |
| C5 | C8 | C7 | H6 | 138.7° | 140.0° |
| C5 | C8 | H7 | H8 | 130.3° | 131.3° |
| C6 | C5 | C4 | H2 | 127.2° | 131.2° |
| C6 | C5 | C4 | C9 | 162.7° | 178.5° |
| C6 | C5 | C4 | C3 | 87.9° | 83.8° |
| C6 | C5 | C4 | H1 | 36.8° | 47.3° |
| C5 | C6 | H3 | H4 | 130.1° | 131.1° |
| C5 | C6 | C7 | H5 | 93.0° | 89.2° |
| C5 | C6 | C7 | H6 | 139.0° | 139.9° |
| C6 | C5 | C8 | H7 | 93.2° | 89.2° |
| C6 | C5 | C8 | H8 | 139.1° | 139.9° |
| C5 | C4 | C9 | C3 | 124.5° | 114.6° |
| C5 | C4 | C9 | H1 | 125.9° | 130.9° |
| C5 | C4 | C3 | H1 | 124.7° | 130.8° |
| C5 | C4 | C9 | C2 | 131.4° | 139.3° |
| C5 | C4 | C3 | C2 | 132.6° | 139.3° |
| C4 | C5 | C6 | H3 | 18.2° | 105.5° |
| C4 | C5 | C6 | H4 | 145.7° | 25.3° |
| C4 | C5 | C8 | H7 | 150.7° | 25.4° |
| C4 | C5 | C8 | H8 | 23.0° | 105.5° |
| C5 | C4 | C9 | H9 | 14.9° | 24.7° |
| C5 | C4 | C9 | H10 | 112.1° | 106.3° |
| C5 | C4 | C3 | H14 | 110.9° | 106.2° |
| C5 | C4 | C3 | H15 | 16.1° | 24.8° |
| C9 | C4 | C3 | H1 | 109.6° | 114.6° |
| C4 | C9 | C2 | H9 | 116.5° | 114.5° |
| C4 | C9 | C2 | H10 | 116.4° | 114.4° |
| C9 | C4 | C3 | C2 | 6.9° | 24.7° |
| C4 | C9 | C2 | C10 | 121.5° | 143.0° |
| C4 | C9 | C2 | N1 | 117.9° | 93.5° |
| C9 | C4 | C5 | H2 | 70.1° | 50.3° |
| C4 | C9 | H9 | H10 | 129.4° | 131.3° |
| C9 | C4 | C3 | H14 | 123.4° | 139.2° |
| C9 | C4 | C3 | H15 | 109.6° | 89.8° |
| C4 | C3 | C2 | H14 | 116.5° | 114.5° |
| C4 | C3 | C2 | H15 | 116.5° | 114.5° |
| C4 | C3 | C2 | C10 | 120.9° | 143.0° |
| C4 | C3 | C2 | N1 | 116.8° | 93.5° |
| C3 | C4 | C5 | H2 | 39.3° | 47.4° |
| C3 | C4 | C9 | H9 | 109.6° | 89.9° |
| C3 | C4 | C9 | H10 | 123.3° | 139.2° |
| C4 | C3 | H14 | H15 | 129.4° | 131.5° |
| C9 | C2 | C3 | C10 | 114.0° | 118.1° |
| C9 | C2 | C3 | N1 | 123.7° | 118.4° |
| C9 | C2 | C10 | N1 | 129.1° | 129.3° |
| C9 | C2 | C10 | O2 | 58.1° | 50.7° |
| C9 | C2 | C10 | N2 | 122.4° | 129.3° |
| C9 | C2 | N1 | C1 | 114.0° | 129.2° |
| C2 | C9 | C4 | H1 | 102.7° | 89.9° |
| C2 | C9 | H9 | H10 | 129.5° | 131.5° |
| C9 | C2 | N1 | H13 | 66.0° | 50.8° |
| C9 | C2 | C3 | H14 | 123.3° | 139.4° |
| C9 | C2 | C3 | H15 | 109.6° | 89.6° |
| C3 | C2 | C10 | N1 | 131.3° | 129.3° |
| C3 | C2 | C10 | O2 | 41.6° | 50.7° |
| C3 | C2 | C10 | N2 | 137.9° | 129.3° |
| C3 | C2 | N1 | C1 | 137.7° | 129.3° |
| C2 | C3 | C4 | H1 | 102.7° | 90.0° |
| C3 | C2 | C9 | H9 | 109.6° | 89.6° |
| C3 | C2 | C9 | H10 | 123.3° | 139.3° |
| C3 | C2 | N1 | H13 | 42.4° | 50.8° |
| C2 | C3 | H14 | H15 | 129.4° | 131.3° |
| C2 | C10 | O2 | N2 | 179.3° | 179.9° |
| C10 | C2 | N1 | C1 | 10.9° | 0.0° |
| C2 | C10 | N2 | C1 | 0.7° | 0.0° |
| C2 | C10 | N2 | C11 | 179.7° | 180.0° |
| C10 | C2 | C9 | H9 | 5.1° | 28.5° |
| C10 | C2 | C9 | H10 | 122.0° | 102.6° |
| C10 | C2 | N1 | H13 | 169.1° | 180.0° |
| C10 | C2 | C3 | H14 | 122.6° | 102.5° |
| C10 | C2 | C3 | H15 | 4.4° | 28.5° |
| N1 | C2 | C10 | O2 | 172.8° | 180.0° |
| N1 | C2 | C10 | N2 | 6.6° | 0.0° |
| C2 | N1 | C1 | H13 | 180.0° | 180.0° |
| C2 | N1 | C1 | N2 | 10.6° | 0.0° |
| C2 | N1 | C1 | O1 | 172.3° | 179.9° |
| N1 | C2 | C9 | H9 | 125.6° | 152.1° |
| N1 | C2 | C9 | H10 | 1.5° | 20.9° |
| N1 | C2 | C3 | H14 | 0.3° | 21.0° |
| N1 | C2 | C3 | H15 | 126.8° | 152.0° |
| O2 | C10 | N2 | C1 | 178.7° | 180.0° |
| O2 | C10 | N2 | C11 | 0.3° | 0.1° |
| C10 | N2 | C1 | N1 | 6.0° | 0.0° |
| C10 | N2 | C1 | C11 | 179.0° | 179.9° |
| C10 | N2 | C1 | O1 | 176.7° | 180.0° |
| C10 | N2 | C11 | C12 | 72.9° | 5.9° |
| C10 | N2 | C11 | C15 | 105.7° | 174.0° |
| N1 | C1 | N2 | O1 | 177.2° | 179.9° |
| N1 | C1 | N2 | C11 | 173.0° | 180.0° |
| C1 | N2 | C11 | C12 | 108.2° | 174.0° |
| C1 | N2 | C11 | C15 | 73.2° | 6.1° |
| N2 | C1 | N1 | H13 | 169.4° | 180.0° |
| C11 | N2 | C1 | O1 | 4.2° | 0.1° |
| N2 | C11 | C12 | C15 | 178.6° | 179.9° |
| N2 | C11 | C12 | N3 | 179.8° | 179.7° |
| N2 | C11 | C15 | C14 | 179.8° | 180.0° |
| N2 | C11 | C12 | H11 | 0.1° | 0.1° |
| N2 | C11 | C15 | H16 | 0.2° | 0.1° |
| O1 | C1 | N1 | H13 | 7.7° | 0.0° |
| C11 | C12 | N3 | H11 | 180.0° | 179.8° |
| C11 | C12 | N3 | C13 | 1.7° | 0.2° |
| C12 | C11 | C15 | C14 | 1.6° | 0.1° |
| C12 | C11 | C15 | H16 | 178.4° | 180.0° |
| N3 | C12 | C11 | C15 | 1.5° | 0.2° |
| C12 | N3 | C13 | C14 | 1.9° | 0.0° |
| C12 | N3 | C13 | H12 | 178.1° | 179.9° |
| C11 | C15 | C14 | H16 | 180.0° | 180.0° |
| C11 | C15 | C14 | C13 | 1.8° | 0.2° |
| C11 | C15 | C14 | F1 | 178.5° | 180.0° |
| C15 | C11 | C12 | H11 | 178.5° | 180.0° |
| N3 | C13 | C14 | C15 | 2.1° | 0.2° |
| N3 | C13 | C14 | H12 | 180.0° | 179.9° |
| N3 | C13 | C14 | F1 | 178.2° | 180.0° |
| C13 | N3 | C12 | H11 | 178.3° | 180.0° |
| C15 | C14 | C13 | F1 | 179.7° | 179.8° |
| C15 | C14 | C13 | H12 | 177.9° | 179.7° |
| C13 | C14 | C15 | H16 | 178.2° | 179.8° |
| F1 | C14 | C13 | H12 | 1.8° | 0.0° |
| F1 | C14 | C15 | H16 | 1.5° | 0.0° |
| H1 | C4 | C5 | H2 | 164.0° | 178.5° |
| H1 | C4 | C9 | H9 | 140.8° | 155.6° |
| H1 | C4 | C9 | H10 | 13.8° | 24.6° |
| H1 | C4 | C3 | H14 | 13.8° | 24.5° |
| H1 | C4 | C3 | H15 | 140.9° | 155.6° |
| H2 | C5 | C6 | H3 | 109.0° | 25.4° |
| H2 | C5 | C6 | H4 | 18.6° | 156.2° |
| H2 | C5 | C8 | H7 | 18.8° | 156.3° |
| H2 | C5 | C8 | H8 | 108.9° | 25.4° |
| H3 | C6 | C7 | H5 | 23.2° | 25.3° |
| H3 | C6 | C7 | H6 | 104.8° | 105.5° |
| H4 | C6 | C7 | H5 | 150.8° | 156.3° |
| H4 | C6 | C7 | H6 | 22.8° | 25.5° |
| H5 | C7 | C8 | H7 | 150.6° | 156.4° |
| H5 | C7 | C8 | H8 | 22.9° | 25.5° |
| H6 | C7 | C8 | H7 | 22.6° | 25.5° |
| H6 | C7 | C8 | H8 | 105.1° | 105.3° |
