8V4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.34Å | 1.34Å | Aromatic |
| O12 | C13 | sing | 1.34Å | 1.34Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.34Å | Aromatic |
| C13 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.47Å | Aromatic |
| C9 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | O8 | doub | 1.22Å | 1.22Å | |
| C7 | N6 | sing | 1.35Å | 1.36Å | |
| N6 | C5 | sing | 1.41Å | 1.42Å | |
| C5 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | N15 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| N15 | N3 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N3 | C2 | sing | 1.46Å | 1.47Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O12 | C13 | 111.1° | 110.9° |
| O12 | C11 | C10 | 108.8° | 109.1° |
| O12 | C11 | H10 | 125.6° | 125.4° |
| O12 | C13 | C9 | 108.2° | 108.4° |
| O12 | C13 | H3 | 125.9° | 125.8° |
| C11 | C10 | C9 | 106.3° | 106.0° |
| C11 | C10 | H2 | 126.8° | 127.1° |
| C10 | C11 | H10 | 125.6° | 125.5° |
| C13 | C9 | C10 | 105.5° | 105.6° |
| C13 | C9 | C7 | 128.3° | 127.2° |
| C9 | C13 | H3 | 125.9° | 125.8° |
| C10 | C9 | C7 | 126.2° | 127.2° |
| C9 | C10 | H2 | 126.8° | 127.0° |
| C9 | C7 | O8 | 117.7° | 120.0° |
| C9 | C7 | N6 | 119.9° | 120.0° |
| O8 | C7 | N6 | 122.4° | 120.0° |
| C7 | N6 | C5 | 123.4° | 120.0° |
| C7 | N6 | H9 | 118.3° | 120.0° |
| N6 | C5 | C14 | 126.8° | 126.1° |
| N6 | C5 | C4 | 126.3° | 126.1° |
| C5 | N6 | H9 | 118.3° | 120.0° |
| C14 | C5 | C4 | 106.9° | 107.9° |
| C5 | C14 | N15 | 109.5° | 108.3° |
| C5 | C14 | H11 | 125.3° | 125.8° |
| C5 | C4 | N3 | 107.8° | 107.6° |
| C5 | C4 | H1 | 126.1° | 126.2° |
| C14 | N15 | N3 | 107.6° | 108.4° |
| N15 | C14 | H11 | 125.2° | 125.8° |
| C4 | N3 | N15 | 108.1° | 107.9° |
| C4 | N3 | C2 | 126.3° | 126.1° |
| N3 | C4 | H1 | 126.1° | 126.2° |
| N15 | N3 | C2 | 125.6° | 126.0° |
| C1 | C2 | N3 | 109.9° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C1 | C2 | H7 | 109.4° | 109.5° |
| C1 | C2 | H8 | 109.4° | 109.4° |
| N3 | C2 | H7 | 109.4° | 109.5° |
| N3 | C2 | H8 | 109.4° | 109.4° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C11 | O12 | C13 | C9 | 0.2° | 0.4° |
| O12 | C11 | C10 | C9 | 0.2° | 0.1° |
| O12 | C11 | C10 | H2 | 179.8° | 179.8° |
| C11 | O12 | C13 | H3 | 179.9° | 179.9° |
| C13 | O12 | C11 | C10 | 0.2° | 0.3° |
| O12 | C13 | C9 | H3 | 180.0° | 179.6° |
| O12 | C13 | C9 | C10 | 0.0° | 0.4° |
| O12 | C13 | C9 | C7 | 179.9° | 179.6° |
| C13 | O12 | C11 | H10 | 179.8° | 179.8° |
| C11 | C10 | C9 | C13 | 0.1° | 0.2° |
| C11 | C10 | C9 | H2 | 180.0° | 179.8° |
| C11 | C10 | C9 | C7 | 179.7° | 179.8° |
| C13 | C9 | C10 | C7 | 179.8° | 180.0° |
| C13 | C9 | C7 | O8 | 177.6° | 180.0° |
| C13 | C9 | C7 | N6 | 3.1° | 0.0° |
| C13 | C9 | C10 | H2 | 179.9° | 180.0° |
| C10 | C9 | C7 | O8 | 2.6° | 0.0° |
| C10 | C9 | C7 | N6 | 176.7° | 179.9° |
| C10 | C9 | C13 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 179.8° | 180.0° |
| C9 | C7 | O8 | N6 | 179.3° | 179.9° |
| C9 | C7 | N6 | C5 | 179.4° | 180.0° |
| C7 | C9 | C10 | H2 | 0.2° | 0.0° |
| C7 | C9 | C13 | H3 | 0.2° | 0.0° |
| C9 | C7 | N6 | H9 | 0.6° | 0.1° |
| O8 | C7 | N6 | C5 | 1.3° | 0.1° |
| O8 | C7 | N6 | H9 | 178.7° | 180.0° |
| C7 | N6 | C5 | H9 | 180.0° | 179.9° |
| C7 | N6 | C5 | C14 | 7.3° | 0.1° |
| C7 | N6 | C5 | C4 | 174.1° | 179.7° |
| N6 | C5 | C14 | C4 | 178.9° | 179.7° |
| N6 | C5 | C14 | N15 | 179.5° | 179.9° |
| N6 | C5 | C4 | N3 | 179.3° | 179.6° |
| N6 | C5 | C4 | H1 | 0.7° | 0.3° |
| N6 | C5 | C14 | H11 | 0.5° | 0.4° |
| C5 | C14 | N15 | H11 | 180.0° | 179.6° |
| C14 | C5 | C4 | N3 | 0.4° | 0.0° |
| C5 | C14 | N15 | N3 | 0.5° | 0.5° |
| C14 | C5 | C4 | H1 | 179.6° | 180.0° |
| C14 | C5 | N6 | H9 | 172.7° | 180.0° |
| C4 | C5 | C14 | N15 | 0.6° | 0.3° |
| C5 | C4 | N3 | H1 | 180.0° | 180.0° |
| C5 | C4 | N3 | N15 | 0.1° | 0.3° |
| C5 | C4 | N3 | C2 | 179.8° | 180.0° |
| C4 | C5 | N6 | H9 | 5.9° | 0.4° |
| C4 | C5 | C14 | H11 | 179.4° | 179.9° |
| C14 | N15 | N3 | C4 | 0.2° | 0.5° |
| C14 | N15 | N3 | C2 | 179.8° | 179.8° |
| C4 | N3 | N15 | C2 | 180.0° | 179.7° |
| C4 | N3 | C2 | C1 | 93.4° | 124.9° |
| C4 | N3 | C2 | H7 | 26.7° | 115.0° |
| C4 | N3 | C2 | H8 | 146.6° | 5.0° |
| N15 | N3 | C2 | C1 | 86.7° | 54.7° |
| N15 | N3 | C4 | H1 | 179.8° | 179.7° |
| N15 | N3 | C2 | H7 | 153.2° | 65.3° |
| N15 | N3 | C2 | H8 | 33.3° | 174.7° |
| N3 | N15 | C14 | H11 | 179.5° | 179.9° |
| C1 | C2 | N3 | H7 | 120.1° | 120.1° |
| C1 | C2 | N3 | H8 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 119.9° |
| C1 | C2 | H7 | H8 | 119.8° | 120.0° |
| C2 | N3 | C4 | H1 | 0.2° | 0.0° |
| N3 | C2 | C1 | H4 | 180.0° | 180.0° |
| N3 | C2 | C1 | H5 | 60.0° | 59.9° |
| N3 | C2 | C1 | H6 | 60.0° | 60.0° |
| N3 | C2 | H7 | H8 | 119.8° | 119.9° |
| H2 | C10 | C11 | H10 | 0.2° | 0.1° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H4 | C1 | C2 | H7 | 59.9° | 60.0° |
| H4 | C1 | C2 | H8 | 60.0° | 60.0° |
| H5 | C1 | C2 | H7 | 60.1° | 180.0° |
| H5 | C1 | C2 | H8 | 180.0° | 60.0° |
| H6 | C1 | C2 | H7 | 179.9° | 60.0° |
| H6 | C1 | C2 | H8 | 60.0° | 180.0° |
