3P2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| N1 | C4 | doub | 1.30Å | 1.37Å | Aromatic |
| N1 | O1 | sing | 1.21Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.48Å | Aromatic |
| O1 | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.46Å | Aromatic |
| C3 | C8 | sing | 1.48Å | 1.48Å | |
| C2 | C6 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C14 | sing | 1.34Å | 1.34Å | Aromatic |
| N2 | C16 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.48Å | |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C16 | sing | 1.41Å | 1.39Å | Aromatic |
| C25 | N26 | doub | 1.31Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C18 | doub | 1.38Å | 1.47Å | Aromatic |
| C16 | N3 | sing | 1.38Å | 1.35Å | Aromatic |
| N26 | C27 | sing | 1.34Å | 1.34Å | Aromatic |
| N3 | C18 | sing | 1.36Å | 1.33Å | Aromatic |
| N3 | C28 | sing | 1.37Å | 1.34Å | Aromatic |
| C18 | N29 | sing | 1.39Å | 1.37Å | |
| C27 | C28 | doub | 1.35Å | 1.39Å | Aromatic |
| C33 | C30 | sing | 1.53Å | 1.53Å | |
| N29 | C30 | sing | 1.47Å | 1.46Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| N29 | H14 | sing | 1.01Å | 1.00Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N1 | 127.1° | 126.9° |
| C5 | C4 | C3 | 125.6° | 126.9° |
| C4 | C5 | H1 | 109.5° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.4° |
| C4 | C5 | H3 | 109.5° | 109.4° |
| C4 | N1 | O1 | 109.0° | 112.0° |
| N1 | C4 | C3 | 107.2° | 106.2° |
| N1 | O1 | C2 | 112.9° | 111.8° |
| C4 | C3 | C2 | 104.4° | 103.7° |
| C4 | C3 | C8 | 130.0° | 128.1° |
| O1 | C2 | C3 | 106.4° | 106.2° |
| O1 | C2 | C6 | 119.5° | 126.8° |
| C12 | C13 | C8 | 119.8° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.0° |
| C12 | C13 | H7 | 120.1° | 120.0° |
| C13 | C12 | H10 | 120.4° | 120.0° |
| C13 | C8 | C3 | 120.5° | 120.0° |
| C13 | C8 | C9 | 120.9° | 120.0° |
| C8 | C13 | H7 | 120.1° | 120.0° |
| C2 | C3 | C8 | 125.6° | 128.2° |
| C3 | C2 | C6 | 134.0° | 126.9° |
| C3 | C8 | C9 | 118.6° | 120.0° |
| C2 | C6 | H4 | 109.5° | 109.5° |
| C2 | C6 | H5 | 109.5° | 109.5° |
| C2 | C6 | H6 | 109.5° | 109.5° |
| C12 | C11 | C14 | 119.1° | 120.0° |
| C12 | C11 | C10 | 120.9° | 120.0° |
| C11 | C12 | H10 | 120.4° | 120.1° |
| C8 | C9 | C10 | 119.4° | 120.0° |
| C8 | C9 | H8 | 120.3° | 120.0° |
| C14 | N2 | C16 | 109.5° | 109.3° |
| N2 | C14 | C11 | 124.1° | 126.0° |
| N2 | C14 | C18 | 103.8° | 108.0° |
| N2 | C16 | C25 | 129.0° | 132.9° |
| N2 | C16 | N3 | 110.7° | 108.5° |
| C14 | C11 | C10 | 119.5° | 120.0° |
| C11 | C14 | C18 | 131.7° | 126.0° |
| C11 | C10 | C9 | 119.6° | 120.0° |
| C11 | C10 | H9 | 120.2° | 120.0° |
| C16 | C25 | N26 | 119.6° | 119.8° |
| C25 | C16 | N3 | 120.3° | 118.6° |
| C16 | C25 | H11 | 120.2° | 120.1° |
| C25 | N26 | C27 | 119.7° | 121.4° |
| N26 | C25 | H11 | 120.2° | 120.1° |
| C10 | C9 | H8 | 120.3° | 120.0° |
| C9 | C10 | H9 | 120.2° | 120.1° |
| C14 | C18 | N3 | 109.2° | 106.8° |
| C14 | C18 | N29 | 125.8° | 126.6° |
| C16 | N3 | C18 | 106.7° | 107.4° |
| C16 | N3 | C28 | 119.8° | 119.1° |
| N26 | C27 | C28 | 121.4° | 121.3° |
| N26 | C27 | H12 | 119.3° | 119.3° |
| C18 | N3 | C28 | 133.5° | 133.5° |
| N3 | C18 | N29 | 125.0° | 126.6° |
| N3 | C28 | C27 | 119.2° | 119.7° |
| N3 | C28 | H13 | 120.4° | 120.2° |
| C18 | N29 | C30 | 122.8° | 111.0° |
| C18 | N29 | H14 | 106.0° | 111.0° |
| C28 | C27 | H12 | 119.3° | 119.4° |
| C27 | C28 | H13 | 120.4° | 120.1° |
| C33 | C30 | N29 | 110.9° | 109.5° |
| C33 | C30 | C32 | 107.2° | 109.5° |
| C33 | C30 | C31 | 108.8° | 109.4° |
| C30 | C33 | H21 | 109.5° | 109.5° |
| C30 | C33 | H22 | 109.5° | 109.5° |
| C30 | C33 | H23 | 109.5° | 109.5° |
| N29 | C30 | C32 | 111.6° | 109.5° |
| N29 | C30 | C31 | 109.5° | 109.5° |
| C30 | N29 | H14 | 106.1° | 111.0° |
| C32 | C30 | C31 | 108.7° | 109.5° |
| C30 | C32 | H18 | 109.5° | 109.4° |
| C30 | C32 | H19 | 109.5° | 109.5° |
| C30 | C32 | H20 | 109.5° | 109.4° |
| C30 | C31 | H15 | 109.5° | 109.5° |
| C30 | C31 | H16 | 109.4° | 109.5° |
| C30 | C31 | H17 | 109.4° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.6° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H15 | C31 | H17 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.5° | 109.5° |
| H18 | C32 | H20 | 109.5° | 109.4° |
| H19 | C32 | H20 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.4° | 109.4° |
| H21 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N1 | C3 | 179.2° | 180.0° |
| C5 | C4 | N1 | O1 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 179.4° | 180.0° |
| C5 | C4 | C3 | C8 | 1.9° | 0.1° |
| C4 | C5 | H1 | H2 | 120.0° | 120.0° |
| C4 | C5 | H1 | H3 | 120.0° | 120.0° |
| C4 | C5 | H2 | H3 | 120.0° | 119.9° |
| C4 | N1 | O1 | C2 | 0.4° | 0.0° |
| N1 | C4 | C3 | C2 | 1.3° | 0.0° |
| N1 | C4 | C3 | C8 | 178.8° | 180.0° |
| N1 | C4 | C5 | H1 | 0.0° | 90.0° |
| N1 | C4 | C5 | H2 | 120.0° | 30.1° |
| N1 | C4 | C5 | H3 | 120.0° | 150.0° |
| O1 | N1 | C4 | C3 | 1.1° | 0.0° |
| N1 | O1 | C2 | C3 | 0.5° | 0.0° |
| N1 | O1 | C2 | C6 | 178.5° | 180.0° |
| C4 | C3 | C2 | O1 | 1.1° | 0.0° |
| C4 | C3 | C8 | C13 | 50.0° | 115.2° |
| C4 | C3 | C2 | C8 | 177.7° | 180.0° |
| C4 | C3 | C2 | C6 | 178.7° | 180.0° |
| C4 | C3 | C8 | C9 | 130.6° | 65.0° |
| C3 | C4 | C5 | H1 | 179.1° | 89.9° |
| C3 | C4 | C5 | H2 | 60.9° | 150.0° |
| C3 | C4 | C5 | H3 | 59.1° | 30.1° |
| O1 | C2 | C3 | C6 | 177.6° | 179.9° |
| O1 | C2 | C3 | C8 | 178.7° | 180.0° |
| O1 | C2 | C6 | H4 | 0.0° | 0.0° |
| O1 | C2 | C6 | H5 | 120.0° | 120.1° |
| O1 | C2 | C6 | H6 | 120.0° | 119.9° |
| C12 | C13 | C8 | H7 | 180.0° | 179.9° |
| C12 | C13 | C8 | C3 | 179.7° | 180.0° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C12 | C13 | C8 | C9 | 1.0° | 0.2° |
| C13 | C12 | C11 | C14 | 176.2° | 180.0° |
| C13 | C12 | C11 | C10 | 4.2° | 0.3° |
| C13 | C8 | C3 | C2 | 132.9° | 64.7° |
| C13 | C8 | C3 | C9 | 179.4° | 179.7° |
| C8 | C13 | C12 | C11 | 1.4° | 0.0° |
| C13 | C8 | C9 | C10 | 0.5° | 0.2° |
| C13 | C8 | C9 | H8 | 179.5° | 179.7° |
| C8 | C13 | C12 | H10 | 178.6° | 179.9° |
| C2 | C3 | C8 | C9 | 46.4° | 115.0° |
| C3 | C2 | C6 | H4 | 177.4° | 180.0° |
| C3 | C2 | C6 | H5 | 57.4° | 60.0° |
| C3 | C2 | C6 | H6 | 62.6° | 60.0° |
| C8 | C3 | C2 | C6 | 3.6° | 0.0° |
| C3 | C8 | C9 | C10 | 179.9° | 179.9° |
| C3 | C8 | C13 | H7 | 0.3° | 0.0° |
| C3 | C8 | C9 | H8 | 0.1° | 0.0° |
| C2 | C6 | H4 | H5 | 120.0° | 120.0° |
| C2 | C6 | H4 | H6 | 120.0° | 120.0° |
| C2 | C6 | H5 | H6 | 120.0° | 120.0° |
| C12 | C11 | C14 | N2 | 20.8° | 145.0° |
| C12 | C11 | C14 | C10 | 172.1° | 179.6° |
| C12 | C11 | C10 | C9 | 4.6° | 0.4° |
| C12 | C11 | C14 | C18 | 167.6° | 35.3° |
| C11 | C12 | C13 | H7 | 178.6° | 179.9° |
| C12 | C11 | C10 | H9 | 175.4° | 179.7° |
| C8 | C9 | C10 | C11 | 2.2° | 0.1° |
| C8 | C9 | C10 | H8 | 180.0° | 179.9° |
| C9 | C8 | C13 | H7 | 179.1° | 179.7° |
| C8 | C9 | C10 | H9 | 177.8° | 179.9° |
| N2 | C14 | C11 | C18 | 171.6° | 179.7° |
| N2 | C14 | C11 | C10 | 151.3° | 34.6° |
| C14 | N2 | C16 | C25 | 179.5° | 179.7° |
| C14 | N2 | C16 | N3 | 1.1° | 0.3° |
| N2 | C14 | C18 | N3 | 2.0° | 0.3° |
| N2 | C14 | C18 | N29 | 178.8° | 179.7° |
| C16 | N2 | C14 | C11 | 175.3° | 179.7° |
| N2 | C16 | C25 | N3 | 179.4° | 179.4° |
| N2 | C16 | C25 | N26 | 179.8° | 179.4° |
| C16 | N2 | C14 | C18 | 1.8° | 0.0° |
| N2 | C16 | N3 | C18 | 0.2° | 0.5° |
| N2 | C16 | N3 | C28 | 180.0° | 180.0° |
| N2 | C16 | C25 | H11 | 0.2° | 0.6° |
| C14 | C11 | C10 | C9 | 176.6° | 180.0° |
| C11 | C14 | C18 | N3 | 174.8° | 180.0° |
| C11 | C14 | C18 | N29 | 8.4° | 0.0° |
| C14 | C11 | C10 | H9 | 3.4° | 0.0° |
| C14 | C11 | C12 | H10 | 3.8° | 0.1° |
| C11 | C10 | C9 | H9 | 180.0° | 179.9° |
| C10 | C11 | C14 | C18 | 20.2° | 145.0° |
| C11 | C10 | C9 | H8 | 177.8° | 180.0° |
| C10 | C11 | C12 | H10 | 175.8° | 179.8° |
| C16 | C25 | N26 | H11 | 180.0° | 180.0° |
| C16 | C25 | N26 | C27 | 0.8° | 0.8° |
| C25 | C16 | N3 | C18 | 179.2° | 180.0° |
| C25 | C16 | N3 | C28 | 0.6° | 0.5° |
| N26 | C25 | C16 | N3 | 0.9° | 0.0° |
| C25 | N26 | C27 | C28 | 0.5° | 1.3° |
| C25 | N26 | C27 | H12 | 179.5° | 180.0° |
| C14 | C18 | N3 | C16 | 1.4° | 0.4° |
| C14 | C18 | N3 | N29 | 176.8° | 180.0° |
| C14 | C18 | N3 | C28 | 178.9° | 179.9° |
| C14 | C18 | N29 | C30 | 87.7° | 176.4° |
| C14 | C18 | N29 | H14 | 34.2° | 59.7° |
| C16 | N3 | C18 | C28 | 179.8° | 179.5° |
| C16 | N3 | C18 | N29 | 178.2° | 179.5° |
| C16 | N3 | C28 | C27 | 0.2° | 0.0° |
| N3 | C16 | C25 | H11 | 179.1° | 180.0° |
| C16 | N3 | C28 | H13 | 179.7° | 180.0° |
| N26 | C27 | C28 | N3 | 0.2° | 0.9° |
| N26 | C27 | C28 | H12 | 180.0° | 178.7° |
| C27 | N26 | C25 | H11 | 179.2° | 179.1° |
| N26 | C27 | C28 | H13 | 179.8° | 179.1° |
| C18 | N3 | C28 | C27 | 179.5° | 179.4° |
| N3 | C18 | N29 | C30 | 88.7° | 3.6° |
| C18 | N3 | C28 | H13 | 0.5° | 0.6° |
| N3 | C18 | N29 | H14 | 149.5° | 120.3° |
| C28 | N3 | C18 | N29 | 2.0° | 0.1° |
| N3 | C28 | C27 | H13 | 180.0° | 180.0° |
| N3 | C28 | C27 | H12 | 179.8° | 179.6° |
| C18 | N29 | C30 | C33 | 50.7° | 175.7° |
| C18 | N29 | C30 | H14 | 121.8° | 124.0° |
| C18 | N29 | C30 | C32 | 68.7° | 64.2° |
| C18 | N29 | C30 | C31 | 170.9° | 55.8° |
| C33 | C30 | N29 | C32 | 119.5° | 120.0° |
| C33 | C30 | N29 | C31 | 120.1° | 120.0° |
| C33 | C30 | C32 | C31 | 117.5° | 120.0° |
| C33 | C30 | N29 | H14 | 71.1° | 60.3° |
| C33 | C30 | C31 | H15 | 180.0° | 155.8° |
| C33 | C30 | C31 | H16 | 60.0° | 84.3° |
| C33 | C30 | C31 | H17 | 60.0° | 35.8° |
| C33 | C30 | C32 | H18 | 180.0° | 37.7° |
| C33 | C30 | C32 | H19 | 60.0° | 82.3° |
| C33 | C30 | C32 | H20 | 60.0° | 157.6° |
| C30 | C33 | H21 | H22 | 120.0° | 120.0° |
| C30 | C33 | H21 | H23 | 120.0° | 120.1° |
| C30 | C33 | H22 | H23 | 120.0° | 120.0° |
| N29 | C30 | C32 | C31 | 120.8° | 120.0° |
| N29 | C30 | C31 | H15 | 58.6° | 35.9° |
| N29 | C30 | C31 | H16 | 178.6° | 155.8° |
| N29 | C30 | C31 | H17 | 61.4° | 84.2° |
| N29 | C30 | C32 | H18 | 58.4° | 82.3° |
| N29 | C30 | C32 | H19 | 61.7° | 157.6° |
| N29 | C30 | C32 | H20 | 178.3° | 37.6° |
| N29 | C30 | C33 | H21 | 180.0° | 60.0° |
| N29 | C30 | C33 | H22 | 60.0° | 180.0° |
| N29 | C30 | C33 | H23 | 60.0° | 60.0° |
| C32 | C30 | N29 | H14 | 169.4° | 59.8° |
| C32 | C30 | C31 | H15 | 63.5° | 84.2° |
| C32 | C30 | C31 | H16 | 56.5° | 35.8° |
| C32 | C30 | C31 | H17 | 176.5° | 155.8° |
| C30 | C32 | H18 | H19 | 120.0° | 120.0° |
| C30 | C32 | H18 | H20 | 120.0° | 119.9° |
| C30 | C32 | H19 | H20 | 120.0° | 120.0° |
| C32 | C30 | C33 | H21 | 57.9° | 180.0° |
| C32 | C30 | C33 | H22 | 62.0° | 60.0° |
| C32 | C30 | C33 | H23 | 177.9° | 60.0° |
| C31 | C30 | N29 | H14 | 49.1° | 179.8° |
| C30 | C31 | H15 | H16 | 120.0° | 120.0° |
| C30 | C31 | H15 | H17 | 120.0° | 120.0° |
| C30 | C31 | H16 | H17 | 119.9° | 120.1° |
| C31 | C30 | C32 | H18 | 62.5° | 157.7° |
| C31 | C30 | C32 | H19 | 177.5° | 37.6° |
| C31 | C30 | C32 | H20 | 57.5° | 82.4° |
| C31 | C30 | C33 | H21 | 59.5° | 60.0° |
| C31 | C30 | C33 | H22 | 179.5° | 60.0° |
| C31 | C30 | C33 | H23 | 60.5° | 180.0° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | C6 | H5 | H6 | 119.9° | 119.9° |
| H7 | C13 | C12 | H10 | 1.4° | 0.1° |
| H8 | C9 | C10 | H9 | 2.2° | 0.0° |
| H12 | C27 | C28 | H13 | 0.2° | 0.4° |
| H15 | C31 | H16 | H17 | 120.0° | 120.0° |
| H18 | C32 | H19 | H20 | 120.0° | 120.0° |
| H21 | C33 | H22 | H23 | 120.0° | 119.9° |
