N6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.43Å | |
| O2 | C10 | sing | 1.34Å | 1.39Å | Aromatic |
| O2 | N2 | sing | 1.21Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.30Å | Aromatic |
| N2 | C8 | doub | 1.31Å | 1.30Å | Aromatic |
| C9 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C8 | N1 | sing | 1.39Å | 1.31Å | |
| N1 | C7 | sing | 1.35Å | 1.41Å | |
| O1 | C7 | doub | 1.22Å | 1.27Å | |
| C7 | N | sing | 1.35Å | 1.37Å | |
| N | C6 | sing | 1.40Å | 1.36Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.44Å | |
| C1 | O | sing | 1.43Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O2 | 123.1° | 126.7° |
| C11 | C10 | C9 | 127.2° | 126.7° |
| C10 | C11 | H10 | 109.5° | 109.4° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | O2 | N2 | 108.2° | 111.7° |
| O2 | C10 | C9 | 109.6° | 106.6° |
| O2 | N2 | C8 | 104.9° | 111.5° |
| C10 | C9 | C8 | 104.6° | 104.0° |
| C10 | C9 | H15 | 127.7° | 128.0° |
| N2 | C8 | C9 | 112.6° | 106.2° |
| N2 | C8 | N1 | 122.7° | 126.9° |
| C9 | C8 | N1 | 124.4° | 126.9° |
| C8 | C9 | H15 | 127.7° | 128.0° |
| C8 | N1 | C7 | 116.9° | 120.0° |
| C8 | N1 | H1 | 121.5° | 120.0° |
| N1 | C7 | O1 | 120.2° | 120.0° |
| N1 | C7 | N | 113.9° | 120.0° |
| C7 | N1 | H1 | 121.5° | 120.0° |
| O1 | C7 | N | 125.9° | 120.0° |
| C7 | N | C6 | 123.2° | 120.0° |
| C7 | N | H4 | 118.4° | 120.0° |
| N | C6 | C5 | 121.9° | 120.1° |
| N | C6 | C12 | 116.2° | 120.1° |
| C6 | N | H4 | 118.4° | 120.0° |
| C6 | C5 | C4 | 119.8° | 119.9° |
| C5 | C6 | C12 | 121.7° | 119.9° |
| C6 | C5 | H3 | 120.1° | 120.1° |
| C5 | C4 | C3 | 119.7° | 120.1° |
| C5 | C4 | H2 | 120.2° | 120.0° |
| C4 | C5 | H3 | 120.1° | 120.0° |
| C6 | C12 | C2 | 116.8° | 119.9° |
| C6 | C12 | H13 | 121.6° | 120.1° |
| C4 | C3 | C2 | 119.5° | 120.1° |
| C3 | C4 | H2 | 120.1° | 119.9° |
| C4 | C3 | H14 | 120.2° | 120.0° |
| C12 | C2 | C3 | 122.5° | 120.0° |
| C12 | C2 | C1 | 122.2° | 120.0° |
| C2 | C12 | H13 | 121.6° | 120.0° |
| C3 | C2 | C1 | 115.3° | 120.0° |
| C2 | C3 | H14 | 120.2° | 119.9° |
| C2 | C1 | O | 109.7° | 109.5° |
| C2 | C1 | H8 | 109.4° | 109.4° |
| C2 | C1 | H9 | 109.4° | 109.5° |
| C1 | O | C | 106.9° | 114.0° |
| O | C1 | H8 | 109.4° | 109.5° |
| O | C1 | H9 | 109.5° | 109.5° |
| O | C | H5 | 109.5° | 109.5° |
| O | C | H6 | 109.4° | 109.5° |
| O | C | H7 | 109.5° | 109.4° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H10 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O2 | C9 | 178.2° | 179.9° |
| C11 | C10 | O2 | N2 | 177.7° | 179.9° |
| C11 | C10 | C9 | C8 | 177.0° | 180.0° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C10 | C11 | H10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H12 | 120.0° | 120.1° |
| C11 | C10 | C9 | H15 | 3.0° | 0.0° |
| C10 | O2 | N2 | C8 | 0.4° | 0.2° |
| O2 | C10 | C9 | C8 | 1.1° | 0.1° |
| O2 | C10 | C11 | H10 | 0.0° | 89.9° |
| O2 | C10 | C11 | H11 | 120.0° | 30.1° |
| O2 | C10 | C11 | H12 | 120.0° | 150.2° |
| O2 | C10 | C9 | H15 | 178.9° | 179.9° |
| N2 | O2 | C10 | C9 | 0.5° | 0.0° |
| O2 | N2 | C8 | C9 | 1.1° | 0.2° |
| O2 | N2 | C8 | N1 | 173.4° | 180.0° |
| C10 | C9 | C8 | N2 | 1.4° | 0.2° |
| C10 | C9 | C8 | H15 | 180.0° | 179.9° |
| C10 | C9 | C8 | N1 | 173.0° | 180.0° |
| C9 | C10 | C11 | H10 | 177.9° | 90.0° |
| C9 | C10 | C11 | H11 | 57.9° | 150.0° |
| C9 | C10 | C11 | H12 | 62.1° | 30.0° |
| N2 | C8 | C9 | N1 | 174.5° | 179.8° |
| N2 | C8 | N1 | C7 | 173.9° | 179.7° |
| N2 | C8 | N1 | H1 | 6.1° | 0.0° |
| N2 | C8 | C9 | H15 | 178.6° | 179.8° |
| C9 | C8 | N1 | C7 | 0.0° | 0.0° |
| C9 | C8 | N1 | H1 | 180.0° | 179.8° |
| C8 | N1 | C7 | H1 | 180.0° | 179.8° |
| C8 | N1 | C7 | O1 | 1.1° | 0.2° |
| C8 | N1 | C7 | N | 179.0° | 179.7° |
| N1 | C8 | C9 | H15 | 7.0° | 0.1° |
| N1 | C7 | O1 | N | 177.6° | 179.9° |
| N1 | C7 | N | C6 | 176.8° | 174.7° |
| N1 | C7 | N | H4 | 3.2° | 5.3° |
| O1 | C7 | N | C6 | 5.5° | 5.4° |
| O1 | C7 | N1 | H1 | 178.8° | 180.0° |
| O1 | C7 | N | H4 | 174.5° | 174.7° |
| C7 | N | C6 | H4 | 180.0° | 180.0° |
| C7 | N | C6 | C5 | 4.8° | 33.2° |
| C7 | N | C6 | C12 | 170.8° | 146.8° |
| N | C7 | N1 | H1 | 1.0° | 0.1° |
| N | C6 | C5 | C12 | 175.3° | 180.0° |
| N | C6 | C5 | C4 | 173.5° | 180.0° |
| N | C6 | C12 | C2 | 173.7° | 179.9° |
| N | C6 | C5 | H3 | 6.5° | 0.1° |
| N | C6 | C12 | H13 | 6.3° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.1° |
| C5 | C6 | C12 | C2 | 1.9° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.7° |
| C5 | C6 | N | H4 | 175.2° | 146.7° |
| C5 | C6 | C12 | H13 | 178.1° | 180.0° |
| C4 | C5 | C6 | C12 | 1.8° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.6° |
| C5 | C4 | C3 | C2 | 1.6° | 0.1° |
| C5 | C4 | C3 | H14 | 178.4° | 179.7° |
| C6 | C12 | C2 | H13 | 180.0° | 180.0° |
| C6 | C12 | C2 | C3 | 0.1° | 0.0° |
| C6 | C12 | C2 | C1 | 178.1° | 180.0° |
| C12 | C6 | C5 | H3 | 178.2° | 179.9° |
| C12 | C6 | N | H4 | 9.2° | 33.3° |
| C4 | C3 | C2 | C12 | 1.6° | 0.0° |
| C4 | C3 | C2 | H14 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 176.4° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C12 | C2 | C3 | C1 | 178.0° | 180.0° |
| C12 | C2 | C1 | O | 9.7° | 90.0° |
| C12 | C2 | C1 | H8 | 110.3° | 30.0° |
| C12 | C2 | C1 | H9 | 129.8° | 150.0° |
| C12 | C2 | C3 | H14 | 178.4° | 179.8° |
| C3 | C2 | C1 | O | 172.2° | 90.0° |
| C2 | C3 | C4 | H2 | 178.4° | 179.7° |
| C3 | C2 | C1 | H8 | 67.7° | 150.0° |
| C3 | C2 | C1 | H9 | 52.2° | 30.0° |
| C3 | C2 | C12 | H13 | 179.8° | 180.0° |
| C2 | C1 | O | H8 | 120.0° | 119.9° |
| C2 | C1 | O | H9 | 120.0° | 120.0° |
| C2 | C1 | O | C | 175.6° | 180.0° |
| C2 | C1 | H8 | H9 | 119.9° | 120.0° |
| C1 | C2 | C12 | H13 | 1.9° | 0.0° |
| C1 | C2 | C3 | H14 | 3.6° | 0.2° |
| C1 | O | C | H5 | 180.0° | 60.0° |
| C1 | O | C | H6 | 60.0° | 180.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| O | C1 | H8 | H9 | 119.9° | 120.0° |
| O | C | H5 | H6 | 120.0° | 120.0° |
| O | C | H5 | H7 | 120.0° | 120.0° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| C | O | C1 | H8 | 64.3° | 60.0° |
| C | O | C1 | H9 | 55.6° | 60.0° |
| H2 | C4 | C5 | H3 | 0.0° | 0.4° |
| H2 | C4 | C3 | H14 | 1.6° | 0.1° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
| H10 | C11 | H11 | H12 | 119.9° | 120.0° |
