6T5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C3 | doub | 1.22Å | 1.25Å | |
| N1 | C3 | sing | 1.34Å | 1.36Å | |
| N1 | N2 | sing | 1.29Å | 1.37Å | |
| C3 | N | sing | 1.34Å | 1.37Å | |
| N2 | C1 | doub | 1.30Å | 1.29Å | |
| N | C2 | doub | 1.33Å | 1.34Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.45Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C2 | N3 | sing | 1.38Å | 1.35Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| N3 | C4 | sing | 1.40Å | 1.42Å | |
| C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C3 | N1 | 118.7° | 119.8° |
| O | C3 | N | 123.0° | 119.7° |
| C3 | N1 | N2 | 124.4° | 121.4° |
| N1 | C3 | N | 118.3° | 120.5° |
| C3 | N1 | H1 | 117.8° | 119.3° |
| N1 | N2 | C1 | 117.6° | 120.9° |
| N2 | N1 | H1 | 117.8° | 119.3° |
| C3 | N | C2 | 118.8° | 119.1° |
| N2 | C1 | C2 | 120.3° | 119.4° |
| N2 | C1 | C | 117.6° | 120.3° |
| N | C2 | C1 | 120.5° | 118.7° |
| N | C2 | N3 | 114.2° | 120.6° |
| C6 | C5 | C4 | 120.0° | 119.9° |
| C5 | C6 | C7 | 121.2° | 120.1° |
| C5 | C6 | H15 | 119.4° | 120.0° |
| C6 | C5 | H16 | 120.0° | 120.0° |
| C5 | C4 | N3 | 123.5° | 120.1° |
| C5 | C4 | C9 | 119.1° | 119.8° |
| C4 | C5 | H16 | 120.0° | 120.0° |
| C2 | C1 | C | 122.1° | 120.3° |
| C1 | C2 | N3 | 124.3° | 120.7° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.4° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C2 | N3 | C4 | 131.5° | 120.0° |
| C2 | N3 | H5 | 114.2° | 120.0° |
| C6 | C7 | C10 | 122.4° | 119.9° |
| C6 | C7 | C8 | 118.3° | 120.2° |
| C7 | C6 | H15 | 119.4° | 120.0° |
| C11 | C10 | C7 | 113.4° | 109.5° |
| C11 | C10 | C12 | 111.9° | 109.5° |
| C11 | C10 | H8 | 106.2° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.4° | 109.5° |
| N3 | C4 | C9 | 117.3° | 120.1° |
| C4 | N3 | H5 | 114.3° | 120.0° |
| C4 | C9 | C8 | 120.2° | 119.9° |
| C4 | C9 | H6 | 119.9° | 120.0° |
| C10 | C7 | C8 | 119.4° | 119.9° |
| C7 | C10 | C12 | 112.1° | 109.5° |
| C7 | C10 | H8 | 106.3° | 109.5° |
| C7 | C8 | C9 | 121.1° | 120.0° |
| C7 | C8 | H7 | 119.5° | 120.0° |
| C12 | C10 | H8 | 106.2° | 109.5° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C12 | H11 | 109.5° | 109.4° |
| C8 | C9 | H6 | 119.9° | 120.0° |
| C9 | C8 | H7 | 119.4° | 120.0° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
| H9 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C3 | N1 | N | 180.0° | 179.8° |
| O | C3 | N1 | N2 | 178.6° | 180.0° |
| O | C3 | N | C2 | 179.0° | 179.7° |
| O | C3 | N1 | H1 | 1.5° | 0.1° |
| C3 | N1 | N2 | H1 | 180.0° | 179.9° |
| C3 | N1 | N2 | C1 | 2.7° | 0.1° |
| N1 | C3 | N | C2 | 1.0° | 0.5° |
| N2 | N1 | C3 | N | 1.4° | 0.2° |
| N1 | N2 | C1 | C2 | 1.6° | 0.0° |
| N1 | N2 | C1 | C | 179.1° | 180.0° |
| C3 | N | C2 | C1 | 2.0° | 0.5° |
| C3 | N | C2 | N3 | 170.7° | 179.8° |
| N | C3 | N1 | H1 | 178.6° | 179.7° |
| N2 | C1 | C2 | N | 0.7° | 0.3° |
| N2 | C1 | C2 | C | 179.3° | 180.0° |
| N2 | C1 | C2 | N3 | 168.2° | 180.0° |
| C1 | N2 | N1 | H1 | 177.2° | 180.0° |
| N2 | C1 | C | H2 | 0.0° | 0.0° |
| N2 | C1 | C | H3 | 120.0° | 120.0° |
| N2 | C1 | C | H4 | 120.0° | 120.0° |
| N | C2 | C1 | N3 | 167.5° | 179.8° |
| N | C2 | C1 | C | 178.6° | 179.7° |
| N | C2 | N3 | C4 | 19.4° | 5.4° |
| N | C2 | N3 | H5 | 160.6° | 174.5° |
| C6 | C5 | C4 | H16 | 180.0° | 179.4° |
| C5 | C6 | C7 | H15 | 180.0° | 179.9° |
| C6 | C5 | C4 | N3 | 180.0° | 179.7° |
| C6 | C5 | C4 | C9 | 4.6° | 0.6° |
| C5 | C6 | C7 | C10 | 179.3° | 179.7° |
| C5 | C6 | C7 | C8 | 1.4° | 0.2° |
| C5 | C4 | N3 | C2 | 21.5° | 33.4° |
| C4 | C5 | C6 | C7 | 1.4° | 0.5° |
| C5 | C4 | N3 | C9 | 175.4° | 179.7° |
| C5 | C4 | C9 | C8 | 5.2° | 0.3° |
| C5 | C4 | N3 | H5 | 158.5° | 146.6° |
| C5 | C4 | C9 | H6 | 174.8° | 179.8° |
| C4 | C5 | C6 | H15 | 178.6° | 179.6° |
| C1 | C2 | N3 | C4 | 172.4° | 174.3° |
| C2 | C1 | C | H2 | 179.3° | 180.0° |
| C2 | C1 | C | H3 | 59.3° | 60.0° |
| C2 | C1 | C | H4 | 60.7° | 60.0° |
| C1 | C2 | N3 | H5 | 7.6° | 5.7° |
| C | C1 | C2 | N3 | 11.1° | 0.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 120.1° |
| C2 | N3 | C4 | H5 | 180.0° | 180.0° |
| C2 | N3 | C4 | C9 | 163.1° | 146.9° |
| C6 | C7 | C10 | C11 | 42.7° | 60.1° |
| C6 | C7 | C10 | C8 | 179.3° | 179.9° |
| C6 | C7 | C10 | C12 | 85.4° | 59.9° |
| C6 | C7 | C8 | C9 | 0.9° | 0.0° |
| C6 | C7 | C8 | H7 | 179.1° | 179.9° |
| C6 | C7 | C10 | H8 | 159.0° | 180.0° |
| C7 | C6 | C5 | H16 | 178.6° | 180.0° |
| C11 | C10 | C7 | C12 | 128.0° | 120.0° |
| C11 | C10 | C7 | H8 | 116.3° | 120.0° |
| C11 | C10 | C7 | C8 | 136.7° | 120.0° |
| C11 | C10 | C12 | H8 | 115.5° | 120.0° |
| C11 | C10 | C12 | H9 | 180.0° | 60.0° |
| C11 | C10 | C12 | H10 | 60.0° | 60.0° |
| C11 | C10 | C12 | H11 | 60.0° | 180.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| N3 | C4 | C9 | C8 | 179.2° | 180.0° |
| N3 | C4 | C9 | H6 | 0.8° | 0.1° |
| N3 | C4 | C5 | H16 | 0.0° | 0.3° |
| C4 | C9 | C8 | C7 | 2.4° | 0.0° |
| C4 | C9 | C8 | H6 | 180.0° | 179.9° |
| C9 | C4 | N3 | H5 | 16.9° | 33.1° |
| C4 | C9 | C8 | H7 | 177.6° | 180.0° |
| C9 | C4 | C5 | H16 | 175.4° | 180.0° |
| C7 | C10 | C12 | H8 | 115.7° | 120.0° |
| C10 | C7 | C8 | C9 | 179.8° | 180.0° |
| C10 | C7 | C8 | H7 | 0.2° | 0.0° |
| C7 | C10 | C12 | H9 | 51.2° | 60.0° |
| C7 | C10 | C12 | H10 | 68.8° | 180.0° |
| C7 | C10 | C12 | H11 | 171.2° | 60.0° |
| C7 | C10 | C11 | H12 | 180.0° | 60.0° |
| C7 | C10 | C11 | H13 | 60.0° | 180.0° |
| C7 | C10 | C11 | H14 | 60.0° | 60.0° |
| C10 | C7 | C6 | H15 | 0.8° | 0.1° |
| C8 | C7 | C10 | C12 | 95.3° | 120.0° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | H6 | 177.5° | 179.9° |
| C8 | C7 | C10 | H8 | 20.4° | 0.0° |
| C8 | C7 | C6 | H15 | 178.6° | 179.9° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C10 | C12 | H9 | H11 | 120.0° | 120.0° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| C12 | C10 | C11 | H12 | 51.9° | 180.0° |
| C12 | C10 | C11 | H13 | 68.1° | 60.0° |
| C12 | C10 | C11 | H14 | 171.9° | 60.0° |
| H2 | C | H3 | H4 | 120.0° | 120.0° |
| H6 | C9 | C8 | H7 | 2.4° | 0.1° |
| H8 | C10 | C12 | H9 | 64.5° | 180.0° |
| H8 | C10 | C12 | H10 | 175.5° | 60.0° |
| H8 | C10 | C12 | H11 | 55.5° | 60.0° |
| H8 | C10 | C11 | H12 | 63.6° | 60.0° |
| H8 | C10 | C11 | H13 | 176.4° | 60.0° |
| H8 | C10 | C11 | H14 | 56.4° | 180.0° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H15 | C6 | C5 | H16 | 1.4° | 0.2° |
