2P6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | trip | 1.14Å | 1.18Å | |
| C1 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | N7 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C5 | C6 | sing | 1.55Å | 1.51Å | |
| C6 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O9 | doub | 1.21Å | 1.22Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C10 | N14 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.55Å | 1.50Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| N14 | C15 | sing | 1.35Å | 1.35Å | |
| C15 | O16 | doub | 1.21Å | 1.22Å | |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 166.8° | 179.9° |
| C1 | C3 | C4 | 108.0° | 109.9° |
| C1 | C3 | N7 | 98.1° | 109.9° |
| C1 | C3 | H3 | 116.3° | 109.9° |
| C4 | C3 | N7 | 100.5° | 107.3° |
| C3 | C4 | C5 | 105.7° | 102.9° |
| C4 | C3 | H3 | 115.3° | 109.9° |
| C3 | C4 | H4 | 110.4° | 110.7° |
| C3 | C4 | H4A | 110.4° | 110.7° |
| C3 | N7 | C6 | 113.3° | 108.7° |
| C3 | N7 | C8 | 121.9° | 125.6° |
| N7 | C3 | H3 | 116.4° | 110.0° |
| C4 | C5 | C6 | 104.6° | 101.6° |
| C5 | C4 | H4 | 110.4° | 110.7° |
| C5 | C4 | H4A | 110.4° | 110.7° |
| C4 | C5 | H5 | 110.7° | 111.0° |
| C4 | C5 | H5A | 110.7° | 110.9° |
| C5 | C6 | N7 | 104.1° | 104.8° |
| C6 | C5 | H5 | 110.7° | 111.0° |
| C6 | C5 | H5A | 110.7° | 111.0° |
| C5 | C6 | H6 | 110.8° | 110.4° |
| C5 | C6 | H6A | 110.8° | 110.4° |
| C6 | N7 | C8 | 124.8° | 125.6° |
| N7 | C6 | H6 | 110.8° | 110.3° |
| N7 | C6 | H6A | 110.8° | 110.3° |
| N7 | C8 | O9 | 123.3° | 120.0° |
| N7 | C8 | C10 | 115.6° | 120.0° |
| O9 | C8 | C10 | 121.0° | 120.0° |
| C8 | C10 | C11 | 109.4° | 109.9° |
| C8 | C10 | N14 | 114.0° | 109.9° |
| C8 | C10 | H10 | 108.9° | 110.0° |
| C11 | C10 | N14 | 105.9° | 107.3° |
| C10 | C11 | C12 | 105.9° | 102.9° |
| C11 | C10 | H10 | 108.8° | 109.9° |
| C10 | C11 | H11 | 110.4° | 110.7° |
| C10 | C11 | H11A | 110.4° | 110.7° |
| C10 | N14 | C13 | 112.7° | 108.7° |
| C10 | N14 | C15 | 120.6° | 125.7° |
| N14 | C10 | H10 | 109.7° | 109.9° |
| C11 | C12 | C13 | 107.5° | 101.5° |
| C12 | C11 | H11 | 110.4° | 110.7° |
| C12 | C11 | H11A | 110.4° | 110.7° |
| C11 | C12 | H12 | 110.0° | 111.0° |
| C11 | C12 | H12A | 110.0° | 111.0° |
| C12 | C13 | N14 | 103.4° | 104.7° |
| C13 | C12 | H12 | 110.0° | 111.2° |
| C13 | C12 | H12A | 110.0° | 110.9° |
| C12 | C13 | H13 | 111.0° | 110.3° |
| C12 | C13 | H13A | 111.0° | 110.3° |
| C13 | N14 | C15 | 126.7° | 125.6° |
| N14 | C13 | H13 | 111.0° | 110.7° |
| N14 | C13 | H13A | 111.0° | 110.2° |
| N14 | C15 | O16 | 123.0° | 120.0° |
| N14 | C15 | C17 | 117.0° | 120.0° |
| O16 | C15 | C17 | 120.0° | 120.0° |
| C15 | C17 | C18 | 111.5° | 109.5° |
| C15 | C17 | H17 | 109.0° | 109.4° |
| C15 | C17 | H17A | 109.0° | 109.5° |
| C17 | C18 | C19 | 113.8° | 109.5° |
| C18 | C17 | H17 | 109.0° | 109.4° |
| C18 | C17 | H17A | 108.9° | 109.5° |
| C17 | C18 | H18 | 108.4° | 109.5° |
| C17 | C18 | H18A | 108.3° | 109.4° |
| C18 | C19 | C20 | 114.4° | 109.5° |
| C19 | C18 | H18 | 108.4° | 109.5° |
| C19 | C18 | H18A | 108.4° | 109.5° |
| C18 | C19 | H19 | 108.2° | 109.4° |
| C18 | C19 | H19A | 108.2° | 109.4° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | C25 | 121.6° | 120.0° |
| C20 | C19 | H19 | 108.2° | 109.5° |
| C20 | C19 | H19A | 108.3° | 109.5° |
| C21 | C20 | C25 | 119.0° | 120.1° |
| C20 | C21 | C22 | 120.5° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C20 | C25 | C24 | 120.4° | 120.0° |
| C20 | C25 | H25 | 119.8° | 120.0° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C25 | C24 | H24 | 119.9° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.0° |
| H4 | C4 | H4A | 109.4° | 110.8° |
| H5 | C5 | H5A | 109.4° | 110.9° |
| H6 | C6 | H6A | 109.5° | 110.4° |
| H11 | C11 | H11A | 109.4° | 110.8° |
| H12 | C12 | H12A | 109.5° | 110.9° |
| H13 | C13 | H13A | 109.4° | 110.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | C4 | 76.6° | 148.6° |
| N2 | C1 | C3 | N7 | 27.2° | 30.8° |
| N2 | C1 | C3 | H3 | 152.0° | 90.4° |
| C1 | C3 | C4 | N7 | 102.1° | 119.5° |
| C1 | C3 | C4 | H3 | 131.9° | 121.0° |
| C1 | C3 | N7 | H3 | 124.7° | 121.1° |
| C1 | C3 | C4 | C5 | 68.8° | 141.6° |
| C1 | C3 | N7 | C6 | 87.4° | 118.3° |
| C1 | C3 | N7 | C8 | 90.2° | 61.7° |
| C1 | C3 | C4 | H4 | 50.6° | 23.3° |
| C1 | C3 | C4 | H4A | 171.8° | 100.0° |
| C4 | C3 | N7 | H3 | 125.2° | 119.5° |
| C3 | C4 | C5 | H4 | 119.4° | 118.3° |
| C3 | C4 | C5 | H4A | 119.4° | 118.4° |
| C3 | C4 | C5 | C6 | 32.9° | 35.5° |
| C4 | C3 | N7 | C6 | 22.6° | 1.1° |
| C4 | C3 | N7 | C8 | 159.8° | 178.9° |
| C3 | C4 | H4 | H4A | 121.7° | 123.3° |
| C3 | C4 | C5 | H5 | 86.3° | 153.6° |
| C3 | C4 | C5 | H5A | 152.2° | 82.6° |
| N7 | C3 | C4 | C5 | 33.3° | 22.1° |
| C3 | N7 | C6 | C5 | 3.1° | 24.1° |
| C3 | N7 | C6 | C8 | 177.5° | 180.0° |
| C3 | N7 | C8 | O9 | 1.3° | 0.0° |
| C3 | N7 | C8 | C10 | 178.4° | 180.0° |
| N7 | C3 | C4 | H4 | 152.7° | 96.2° |
| N7 | C3 | C4 | H4A | 86.1° | 140.5° |
| C3 | N7 | C6 | H6 | 116.1° | 94.7° |
| C3 | N7 | C6 | H6A | 122.2° | 143.0° |
| C4 | C5 | C6 | H5 | 119.2° | 118.1° |
| C4 | C5 | C6 | H5A | 119.2° | 118.0° |
| C4 | C5 | C6 | N7 | 18.4° | 37.0° |
| C5 | C4 | C3 | H3 | 159.3° | 97.4° |
| C5 | C4 | H4 | H4A | 121.8° | 123.3° |
| C4 | C5 | H5 | H5A | 122.2° | 123.8° |
| C4 | C5 | C6 | H6 | 137.5° | 81.8° |
| C4 | C5 | C6 | H6A | 100.7° | 155.8° |
| C5 | C6 | N7 | H6 | 119.1° | 118.8° |
| C5 | C6 | N7 | H6A | 119.1° | 118.8° |
| C5 | C6 | N7 | C8 | 179.4° | 155.8° |
| C6 | C5 | C4 | H4 | 152.3° | 82.8° |
| C6 | C5 | C4 | H4A | 86.5° | 153.9° |
| C6 | C5 | H5 | H5A | 122.3° | 124.0° |
| C5 | C6 | H6 | H6A | 122.5° | 122.4° |
| C6 | N7 | C8 | O9 | 178.6° | 180.0° |
| C6 | N7 | C8 | C10 | 1.1° | 0.0° |
| C6 | N7 | C3 | H3 | 147.8° | 120.6° |
| N7 | C6 | C5 | H5 | 100.9° | 155.1° |
| N7 | C6 | C5 | H5A | 137.6° | 81.0° |
| N7 | C6 | H6 | H6A | 122.5° | 122.3° |
| N7 | C8 | O9 | C10 | 179.7° | 180.0° |
| N7 | C8 | C10 | C11 | 87.9° | 61.4° |
| N7 | C8 | C10 | N14 | 153.8° | 179.3° |
| C8 | N7 | C3 | H3 | 34.6° | 59.4° |
| C8 | N7 | C6 | H6 | 61.4° | 85.3° |
| C8 | N7 | C6 | H6A | 60.3° | 37.0° |
| N7 | C8 | C10 | H10 | 30.9° | 59.6° |
| O9 | C8 | C10 | C11 | 91.8° | 118.6° |
| O9 | C8 | C10 | N14 | 26.5° | 0.7° |
| O9 | C8 | C10 | H10 | 149.4° | 120.4° |
| C8 | C10 | C11 | N14 | 123.2° | 119.4° |
| C8 | C10 | C11 | H10 | 118.9° | 121.2° |
| C8 | C10 | N14 | H10 | 122.4° | 121.2° |
| C8 | C10 | C11 | C12 | 134.5° | 97.2° |
| C8 | C10 | N14 | C13 | 117.9° | 120.7° |
| C8 | C10 | N14 | C15 | 63.5° | 59.6° |
| C8 | C10 | C11 | H11 | 15.1° | 21.1° |
| C8 | C10 | C11 | H11A | 106.0° | 144.4° |
| C11 | C10 | N14 | H10 | 117.3° | 119.4° |
| C10 | C11 | C12 | H11 | 119.5° | 118.3° |
| C10 | C11 | C12 | H11A | 119.5° | 118.4° |
| C10 | C11 | C12 | C13 | 20.5° | 35.7° |
| C11 | C10 | N14 | C13 | 2.4° | 1.3° |
| C11 | C10 | N14 | C15 | 176.2° | 179.0° |
| C10 | C11 | H11 | H11A | 121.7° | 123.2° |
| C10 | C11 | C12 | H12 | 140.2° | 82.6° |
| C10 | C11 | C12 | H12A | 99.1° | 153.6° |
| N14 | C10 | C11 | C12 | 11.3° | 22.2° |
| C10 | N14 | C13 | C12 | 14.7° | 24.4° |
| C10 | N14 | C13 | C15 | 178.5° | 179.7° |
| C10 | N14 | C15 | O16 | 0.5° | 0.0° |
| C10 | N14 | C15 | C17 | 179.2° | 180.0° |
| N14 | C10 | C11 | H11 | 108.1° | 140.5° |
| N14 | C10 | C11 | H11A | 130.8° | 96.2° |
| C10 | N14 | C13 | H13 | 104.3° | 94.4° |
| C10 | N14 | C13 | H13A | 133.8° | 143.1° |
| C11 | C12 | C13 | H12 | 119.7° | 118.1° |
| C11 | C12 | C13 | H12A | 119.7° | 118.0° |
| C11 | C12 | C13 | N14 | 21.4° | 37.3° |
| C12 | C11 | C10 | H10 | 106.6° | 141.6° |
| C12 | C11 | H11 | H11A | 121.6° | 123.3° |
| C11 | C12 | H12 | H12A | 120.9° | 123.9° |
| C11 | C12 | C13 | H13 | 97.6° | 81.8° |
| C11 | C12 | C13 | H13A | 140.5° | 155.9° |
| C12 | C13 | N14 | H13 | 119.0° | 118.9° |
| C12 | C13 | N14 | H13A | 119.0° | 118.7° |
| C12 | C13 | N14 | C15 | 163.8° | 155.8° |
| C13 | C12 | C11 | H11 | 98.9° | 154.0° |
| C13 | C12 | C11 | H11A | 140.0° | 82.7° |
| C13 | C12 | H12 | H12A | 120.9° | 123.9° |
| C12 | C13 | H13 | H13A | 122.8° | 122.2° |
| C13 | N14 | C15 | O16 | 178.9° | 179.7° |
| C13 | N14 | C15 | C17 | 0.8° | 0.3° |
| C13 | N14 | C10 | H10 | 119.7° | 118.1° |
| N14 | C13 | C12 | H12 | 141.1° | 80.8° |
| N14 | C13 | C12 | H12A | 98.2° | 155.2° |
| N14 | C13 | H13 | H13A | 122.8° | 122.3° |
| N14 | C15 | O16 | C17 | 179.7° | 180.0° |
| N14 | C15 | C17 | C18 | 175.7° | 180.0° |
| C15 | N14 | C10 | H10 | 58.9° | 61.6° |
| C15 | N14 | C13 | H13 | 77.2° | 85.3° |
| C15 | N14 | C13 | H13A | 44.7° | 37.2° |
| N14 | C15 | C17 | H17 | 64.0° | 60.0° |
| N14 | C15 | C17 | H17A | 55.5° | 59.9° |
| O16 | C15 | C17 | C18 | 4.0° | 0.1° |
| O16 | C15 | C17 | H17 | 116.3° | 120.0° |
| O16 | C15 | C17 | H17A | 124.2° | 120.0° |
| C15 | C17 | C18 | H17 | 120.3° | 119.9° |
| C15 | C17 | C18 | H17A | 120.3° | 120.1° |
| C15 | C17 | C18 | C19 | 159.9° | 180.0° |
| C15 | C17 | H17 | H17A | 119.1° | 120.0° |
| C15 | C17 | C18 | H18 | 39.2° | 60.0° |
| C15 | C17 | C18 | H18A | 79.5° | 60.0° |
| C17 | C18 | C19 | H18 | 120.7° | 120.0° |
| C17 | C18 | C19 | H18A | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 61.5° | 180.0° |
| C18 | C17 | H17 | H17A | 119.1° | 120.0° |
| C17 | C18 | H18 | H18A | 118.0° | 120.0° |
| C17 | C18 | C19 | H19 | 177.8° | 59.9° |
| C17 | C18 | C19 | H19A | 59.3° | 60.0° |
| C18 | C19 | C20 | H19 | 120.7° | 120.0° |
| C18 | C19 | C20 | H19A | 120.7° | 120.0° |
| C18 | C19 | C20 | C21 | 125.9° | 90.0° |
| C18 | C19 | C20 | C25 | 56.0° | 90.3° |
| C19 | C18 | C17 | H17 | 79.8° | 60.0° |
| C19 | C18 | C17 | H17A | 39.6° | 60.0° |
| C19 | C18 | H18 | H18A | 118.0° | 120.0° |
| C18 | C19 | H19 | H19A | 117.8° | 119.9° |
| C19 | C20 | C21 | C25 | 178.1° | 179.7° |
| C19 | C20 | C21 | C22 | 179.0° | 180.0° |
| C19 | C20 | C25 | C24 | 177.8° | 180.0° |
| C20 | C19 | C18 | H18 | 59.2° | 60.0° |
| C20 | C19 | C18 | H18A | 177.9° | 60.0° |
| C20 | C19 | H19 | H19A | 117.8° | 120.1° |
| C19 | C20 | C21 | H21 | 1.0° | 0.0° |
| C19 | C20 | C25 | H25 | 2.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.1° | 0.0° |
| C21 | C20 | C25 | C24 | 0.2° | 0.3° |
| C21 | C20 | C19 | H19 | 113.4° | 30.0° |
| C21 | C20 | C19 | H19A | 5.2° | 150.0° |
| C20 | C21 | C22 | H22 | 178.9° | 180.0° |
| C21 | C20 | C25 | H25 | 179.8° | 179.7° |
| C25 | C20 | C21 | C22 | 0.9° | 0.3° |
| C20 | C25 | C24 | C23 | 1.1° | 0.0° |
| C20 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C20 | C19 | H19 | 64.7° | 149.7° |
| C25 | C20 | C19 | H19A | 176.7° | 29.7° |
| C25 | C20 | C21 | H21 | 179.1° | 179.7° |
| C20 | C25 | C24 | H24 | 178.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.2° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.9° | 0.2° |
| C23 | C22 | C21 | H21 | 178.9° | 180.0° |
| C22 | C23 | C24 | H24 | 179.1° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C23 | C22 | H22 | 179.8° | 179.7° |
| C23 | C24 | C25 | H25 | 178.9° | 180.0° |
| C25 | C24 | C23 | H23 | 179.1° | 180.0° |
| H3 | C3 | C4 | H4 | 81.3° | 144.3° |
| H3 | C3 | C4 | H4A | 39.8° | 21.0° |
| H4 | C4 | C5 | H5 | 33.1° | 35.3° |
| H4 | C4 | C5 | H5A | 88.4° | 159.0° |
| H4A | C4 | C5 | H5 | 154.3° | 88.0° |
| H4A | C4 | C5 | H5A | 32.8° | 35.7° |
| H5 | C5 | C6 | H6 | 18.2° | 36.3° |
| H5 | C5 | C6 | H6A | 140.0° | 86.1° |
| H5A | C5 | C6 | H6 | 103.3° | 160.2° |
| H5A | C5 | C6 | H6A | 18.5° | 37.8° |
| H10 | C10 | C11 | H11 | 134.0° | 100.1° |
| H10 | C10 | C11 | H11A | 12.9° | 23.2° |
| H11 | C11 | C12 | H12 | 20.8° | 35.7° |
| H11 | C11 | C12 | H12A | 141.4° | 88.1° |
| H11A | C11 | C12 | H12 | 100.3° | 159.1° |
| H11A | C11 | C12 | H12A | 20.3° | 35.2° |
| H12 | C12 | C13 | H13 | 22.1° | 160.0° |
| H12 | C12 | C13 | H13A | 99.8° | 37.8° |
| H12A | C12 | C13 | H13 | 142.7° | 36.1° |
| H12A | C12 | C13 | H13A | 20.8° | 86.2° |
| H17 | C17 | C18 | H18 | 159.5° | 60.0° |
| H17 | C17 | C18 | H18A | 40.8° | 180.0° |
| H17A | C17 | C18 | H18 | 81.1° | 180.0° |
| H17A | C17 | C18 | H18A | 160.2° | 60.1° |
| H18 | C18 | C19 | H19 | 61.5° | 179.9° |
| H18 | C18 | C19 | H19A | 179.9° | 60.0° |
| H18A | C18 | C19 | H19 | 57.2° | 60.1° |
| H18A | C18 | C19 | H19A | 61.4° | 180.0° |
| H21 | C21 | C22 | H22 | 1.1° | 0.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
| H23 | C23 | C24 | H24 | 0.9° | 0.0° |
| H24 | C24 | C25 | H25 | 1.1° | 0.0° |
