N1K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | N15 | sing | 1.28Å | 1.36Å | Aromatic |
| N16 | N17 | doub | 1.29Å | 1.34Å | Aromatic |
| N15 | C14 | doub | 1.31Å | 1.33Å | Aromatic |
| O12 | C11 | doub | 1.21Å | 1.18Å | |
| N17 | N18 | sing | 1.41Å | 1.35Å | Aromatic |
| C14 | N18 | sing | 1.35Å | 1.35Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.45Å | |
| C11 | N13 | sing | 1.35Å | 1.46Å | |
| C11 | C1 | sing | 1.48Å | 1.54Å | |
| C2 | C1 | doub | 1.40Å | 1.48Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.49Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.46Å | |
| C1 | C6 | sing | 1.41Å | 1.55Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.48Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.46Å | 1.37Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.55Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.40Å | Aromatic |
| N7 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| N7 | C10 | sing | 1.47Å | 1.48Å | |
| C20 | C10 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| N13 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | N16 | N17 | 108.2° | 110.3° |
| N16 | N15 | C14 | 107.2° | 110.5° |
| N16 | N17 | N18 | 108.2° | 106.8° |
| N15 | C14 | N18 | 109.3° | 107.1° |
| N15 | C14 | N13 | 126.3° | 126.5° |
| O12 | C11 | N13 | 122.6° | 120.0° |
| O12 | C11 | C1 | 123.0° | 120.0° |
| N17 | N18 | C14 | 107.2° | 105.3° |
| N17 | N18 | C19 | 126.9° | 127.4° |
| N18 | C14 | N13 | 124.4° | 126.5° |
| C14 | N18 | C19 | 126.0° | 127.4° |
| C14 | N13 | C11 | 121.8° | 120.0° |
| C14 | N13 | H19 | 119.1° | 120.0° |
| N13 | C11 | C1 | 114.4° | 120.0° |
| C11 | N13 | H19 | 119.1° | 120.0° |
| C11 | C1 | C2 | 121.5° | 121.1° |
| C11 | C1 | C6 | 117.6° | 121.2° |
| C1 | C2 | C3 | 119.2° | 119.2° |
| C2 | C1 | C6 | 120.9° | 117.7° |
| C1 | C2 | H9 | 120.4° | 120.4° |
| C2 | C3 | N4 | 119.4° | 121.8° |
| C3 | C2 | H9 | 120.4° | 120.4° |
| C2 | C3 | H10 | 120.3° | 119.1° |
| N18 | C19 | H13 | 109.5° | 109.4° |
| N18 | C19 | H14 | 109.5° | 109.5° |
| N18 | C19 | H15 | 109.4° | 109.5° |
| C1 | C6 | C5 | 119.7° | 119.3° |
| C1 | C6 | C9 | 131.0° | 134.3° |
| C3 | N4 | C5 | 120.6° | 122.1° |
| N4 | C3 | H10 | 120.3° | 119.1° |
| C5 | C6 | C9 | 109.3° | 106.3° |
| C6 | C5 | N4 | 120.2° | 119.9° |
| C6 | C5 | N7 | 107.0° | 106.9° |
| C6 | C9 | C8 | 107.0° | 106.9° |
| C6 | C9 | H12 | 126.5° | 126.6° |
| N4 | C5 | N7 | 132.8° | 133.2° |
| C5 | N7 | C8 | 108.5° | 110.0° |
| C5 | N7 | C10 | 126.0° | 125.0° |
| C9 | C8 | N7 | 108.2° | 109.9° |
| C9 | C8 | H11 | 125.9° | 125.0° |
| C8 | C9 | H12 | 126.5° | 126.5° |
| C8 | N7 | C10 | 125.6° | 125.0° |
| N7 | C8 | H11 | 125.9° | 125.0° |
| N7 | C10 | C20 | 110.7° | 109.4° |
| N7 | C10 | H1 | 109.1° | 109.5° |
| N7 | C10 | H2 | 109.2° | 109.5° |
| C10 | C20 | C21 | 106.4° | 109.4° |
| C20 | C10 | H1 | 109.2° | 109.5° |
| C20 | C10 | H2 | 109.2° | 109.5° |
| C10 | C20 | H3 | 110.2° | 109.5° |
| C10 | C20 | H4 | 110.2° | 109.5° |
| C20 | C21 | C22 | 110.2° | 109.5° |
| C21 | C20 | H3 | 110.2° | 109.4° |
| C21 | C20 | H4 | 110.2° | 109.5° |
| C20 | C21 | H5 | 109.3° | 109.5° |
| C20 | C21 | H6 | 109.3° | 109.5° |
| C21 | C22 | C23 | 110.2° | 109.5° |
| C22 | C21 | H5 | 109.3° | 109.4° |
| C22 | C21 | H6 | 109.3° | 109.5° |
| C21 | C22 | H7 | 109.3° | 109.5° |
| C21 | C22 | H8 | 109.3° | 109.5° |
| C23 | C22 | H7 | 109.3° | 109.5° |
| C23 | C22 | H8 | 109.3° | 109.5° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| C22 | C23 | H17 | 109.4° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | N16 | N17 | N18 | 0.5° | 0.1° |
| N16 | N15 | C14 | N18 | 0.1° | 0.0° |
| N16 | N15 | C14 | N13 | 179.2° | 179.7° |
| N17 | N16 | N15 | C14 | 0.2° | 0.1° |
| N16 | N17 | N18 | C14 | 0.6° | 0.0° |
| N16 | N17 | N18 | C19 | 179.1° | 179.8° |
| N15 | C14 | N18 | N17 | 0.5° | 0.0° |
| N15 | C14 | N18 | N13 | 179.1° | 179.7° |
| N15 | C14 | N13 | C11 | 14.3° | 0.3° |
| N15 | C14 | N18 | C19 | 179.2° | 179.7° |
| N15 | C14 | N13 | H19 | 165.7° | 179.6° |
| O12 | C11 | N13 | C14 | 1.1° | 0.0° |
| O12 | C11 | N13 | C1 | 179.3° | 180.0° |
| O12 | C11 | C1 | C2 | 99.6° | 179.7° |
| O12 | C11 | C1 | C6 | 82.8° | 0.0° |
| O12 | C11 | N13 | H19 | 178.9° | 180.0° |
| N17 | N18 | C14 | C19 | 179.7° | 179.7° |
| N17 | N18 | C14 | N13 | 179.6° | 179.7° |
| N17 | N18 | C19 | H13 | 0.0° | 90.3° |
| N17 | N18 | C19 | H14 | 120.0° | 29.7° |
| N17 | N18 | C19 | H15 | 120.0° | 149.7° |
| N18 | C14 | N13 | C11 | 166.7° | 180.0° |
| C14 | N18 | C19 | H13 | 179.6° | 90.0° |
| C14 | N18 | C19 | H14 | 60.4° | 150.0° |
| C14 | N18 | C19 | H15 | 59.6° | 29.9° |
| N18 | C14 | N13 | H19 | 13.3° | 0.0° |
| C14 | N13 | C11 | H19 | 180.0° | 180.0° |
| C14 | N13 | C11 | C1 | 179.6° | 180.0° |
| N13 | C14 | N18 | C19 | 0.1° | 0.0° |
| N13 | C11 | C1 | C2 | 81.1° | 0.3° |
| N13 | C11 | C1 | C6 | 96.5° | 180.0° |
| C11 | C1 | C2 | C6 | 177.5° | 179.8° |
| C11 | C1 | C2 | C3 | 179.2° | 179.8° |
| C11 | C1 | C6 | C5 | 179.2° | 179.7° |
| C11 | C1 | C6 | C9 | 1.7° | 0.2° |
| C11 | C1 | C2 | H9 | 0.8° | 0.3° |
| C1 | C11 | N13 | H19 | 0.4° | 0.0° |
| C1 | C2 | C3 | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 0.8° | 0.0° |
| C2 | C1 | C6 | C5 | 1.6° | 0.0° |
| C2 | C1 | C6 | C9 | 179.3° | 179.9° |
| C1 | C2 | C3 | H10 | 179.2° | 180.0° |
| C3 | C2 | C1 | C6 | 1.7° | 0.0° |
| C2 | C3 | N4 | H10 | 180.0° | 180.0° |
| C2 | C3 | N4 | C5 | 0.3° | 0.0° |
| N18 | C19 | H13 | H14 | 120.0° | 120.0° |
| N18 | C19 | H13 | H15 | 120.0° | 120.0° |
| N18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C1 | C6 | C5 | C9 | 179.3° | 179.9° |
| C1 | C6 | C5 | N4 | 0.5° | 0.0° |
| C1 | C6 | C5 | N7 | 179.0° | 179.9° |
| C1 | C6 | C9 | C8 | 179.1° | 179.9° |
| C6 | C1 | C2 | H9 | 178.3° | 179.9° |
| C1 | C6 | C9 | H12 | 0.9° | 0.1° |
| C3 | N4 | C5 | C6 | 0.4° | 0.0° |
| C3 | N4 | C5 | N7 | 179.8° | 179.9° |
| N4 | C3 | C2 | H9 | 179.2° | 180.0° |
| C6 | C5 | N4 | N7 | 179.4° | 179.9° |
| C5 | C6 | C9 | C8 | 0.1° | 0.0° |
| C6 | C5 | N7 | C8 | 0.3° | 0.0° |
| C6 | C5 | N7 | C10 | 179.3° | 179.9° |
| C5 | C6 | C9 | H12 | 179.9° | 180.0° |
| C9 | C6 | C5 | N4 | 179.8° | 180.0° |
| C9 | C6 | C5 | N7 | 0.2° | 0.0° |
| C6 | C9 | C8 | H12 | 180.0° | 180.0° |
| C6 | C9 | C8 | N7 | 0.1° | 0.0° |
| C6 | C9 | C8 | H11 | 179.9° | 180.0° |
| N4 | C5 | N7 | C8 | 179.8° | 180.0° |
| N4 | C5 | N7 | C10 | 1.2° | 0.1° |
| C5 | N4 | C3 | H10 | 179.7° | 180.0° |
| C5 | N7 | C8 | C9 | 0.3° | 0.0° |
| C5 | N7 | C8 | C10 | 179.0° | 179.9° |
| C5 | N7 | C10 | C20 | 77.1° | 85.1° |
| C5 | N7 | C10 | H1 | 43.1° | 35.0° |
| C5 | N7 | C10 | H2 | 162.7° | 155.0° |
| C5 | N7 | C8 | H11 | 179.7° | 180.0° |
| C9 | C8 | N7 | H11 | 180.0° | 180.0° |
| C9 | C8 | N7 | C10 | 179.3° | 179.9° |
| C8 | N7 | C10 | C20 | 104.1° | 95.1° |
| C8 | N7 | C10 | H1 | 135.7° | 144.9° |
| C8 | N7 | C10 | H2 | 16.1° | 24.9° |
| N7 | C8 | C9 | H12 | 179.9° | 180.0° |
| N7 | C10 | C20 | H1 | 120.2° | 120.0° |
| N7 | C10 | C20 | H2 | 120.2° | 120.0° |
| N7 | C10 | C20 | C21 | 164.3° | 180.0° |
| N7 | C10 | H1 | H2 | 119.4° | 120.0° |
| N7 | C10 | C20 | H3 | 76.2° | 60.1° |
| N7 | C10 | C20 | H4 | 44.8° | 60.0° |
| C10 | N7 | C8 | H11 | 0.7° | 0.1° |
| C10 | C20 | C21 | H3 | 119.5° | 120.0° |
| C10 | C20 | C21 | H4 | 119.5° | 120.0° |
| C10 | C20 | C21 | C22 | 68.0° | 180.0° |
| C20 | C10 | H1 | H2 | 119.4° | 120.0° |
| C10 | C20 | H3 | H4 | 121.4° | 120.1° |
| C10 | C20 | C21 | H5 | 52.1° | 60.0° |
| C10 | C20 | C21 | H6 | 171.8° | 60.0° |
| C20 | C21 | C22 | H5 | 120.1° | 120.0° |
| C20 | C21 | C22 | H6 | 120.1° | 120.0° |
| C20 | C21 | C22 | C23 | 124.0° | 180.0° |
| C21 | C20 | C10 | H1 | 44.1° | 60.0° |
| C21 | C20 | C10 | H2 | 75.5° | 60.0° |
| C21 | C20 | H3 | H4 | 121.4° | 120.0° |
| C20 | C21 | H5 | H6 | 119.6° | 120.0° |
| C20 | C21 | C22 | H7 | 115.9° | 60.0° |
| C20 | C21 | C22 | H8 | 3.9° | 60.0° |
| C21 | C22 | C23 | H7 | 120.1° | 120.0° |
| C21 | C22 | C23 | H8 | 120.1° | 120.0° |
| C22 | C21 | C20 | H3 | 172.4° | 60.0° |
| C22 | C21 | C20 | H4 | 51.5° | 60.0° |
| C22 | C21 | H5 | H6 | 119.7° | 120.0° |
| C21 | C22 | H7 | H8 | 119.7° | 120.0° |
| C21 | C22 | C23 | H16 | 180.0° | 60.0° |
| C21 | C22 | C23 | H17 | 60.0° | 60.0° |
| C21 | C22 | C23 | H18 | 60.0° | 180.0° |
| C23 | C22 | C21 | H5 | 3.9° | 60.0° |
| C23 | C22 | C21 | H6 | 115.9° | 60.0° |
| C23 | C22 | H7 | H8 | 119.6° | 120.0° |
| C22 | C23 | H16 | H17 | 120.0° | 120.0° |
| C22 | C23 | H16 | H18 | 120.0° | 120.0° |
| C22 | C23 | H17 | H18 | 120.0° | 120.0° |
| H1 | C10 | C20 | H3 | 163.6° | 60.0° |
| H1 | C10 | C20 | H4 | 75.4° | 180.0° |
| H2 | C10 | C20 | H3 | 44.0° | 180.0° |
| H2 | C10 | C20 | H4 | 165.0° | 60.0° |
| H3 | C20 | C21 | H5 | 67.5° | 179.9° |
| H3 | C20 | C21 | H6 | 52.3° | 60.0° |
| H4 | C20 | C21 | H5 | 171.6° | 60.0° |
| H4 | C20 | C21 | H6 | 68.6° | 180.0° |
| H5 | C21 | C22 | H7 | 124.0° | 180.0° |
| H5 | C21 | C22 | H8 | 116.2° | 60.0° |
| H6 | C21 | C22 | H7 | 4.2° | 60.0° |
| H6 | C21 | C22 | H8 | 124.0° | 180.0° |
| H7 | C22 | C23 | H16 | 59.9° | 179.9° |
| H7 | C22 | C23 | H17 | 179.9° | 60.0° |
| H7 | C22 | C23 | H18 | 60.1° | 60.0° |
| H8 | C22 | C23 | H16 | 59.9° | 60.0° |
| H8 | C22 | C23 | H17 | 60.2° | 180.0° |
| H8 | C22 | C23 | H18 | 179.9° | 60.0° |
| H9 | C2 | C3 | H10 | 0.8° | 0.0° |
| H11 | C8 | C9 | H12 | 0.1° | 0.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
