P5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N7 | sing | 1.38Å | 1.36Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.47Å | 1.51Å | |
| C6 | N11 | sing | 1.38Å | 1.37Å | |
| C8 | O10 | doub | 1.22Å | 1.23Å | |
| C8 | N9 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.37Å | |
| C13 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| N7 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C24 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C24 | N25 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| N9 | HN9A | sing | 0.97Å | 1.00Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 1.01Å | 1.00Å | |
| N25 | HN2A | sing | 1.01Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N5 | 119.3° | 122.0° |
| N1 | C2 | N7 | 120.9° | 118.9° |
| C2 | N1 | C6 | 122.9° | 120.8° |
| N5 | C2 | N7 | 119.8° | 119.1° |
| C2 | N5 | C3 | 120.0° | 121.2° |
| C2 | N7 | C19 | 122.6° | 119.9° |
| C2 | N7 | HN7 | 105.3° | 120.1° |
| C4 | C3 | N5 | 121.4° | 119.1° |
| C3 | C4 | C6 | 118.4° | 118.2° |
| C3 | C4 | C8 | 119.9° | 120.9° |
| C4 | C3 | H3 | 119.3° | 120.5° |
| N5 | C3 | H3 | 119.3° | 120.5° |
| N1 | C6 | C4 | 117.9° | 118.8° |
| N1 | C6 | N11 | 122.2° | 120.6° |
| C6 | C4 | C8 | 121.8° | 120.9° |
| C4 | C6 | N11 | 119.9° | 120.6° |
| C4 | C8 | O10 | 121.3° | 120.0° |
| C4 | C8 | N9 | 118.0° | 120.0° |
| C6 | N11 | C12 | 127.6° | 120.0° |
| C6 | N11 | HN11 | 116.2° | 119.9° |
| O10 | C8 | N9 | 120.7° | 120.0° |
| C8 | N9 | HN9 | 110.1° | 120.1° |
| C8 | N9 | HN9A | 125.0° | 120.0° |
| C13 | C12 | C17 | 118.5° | 119.9° |
| C13 | C12 | N11 | 123.3° | 120.1° |
| C12 | C13 | C16 | 121.5° | 119.9° |
| C12 | C13 | H13 | 119.2° | 120.0° |
| C17 | C12 | N11 | 118.2° | 120.0° |
| C12 | C17 | C15 | 120.6° | 119.9° |
| C12 | C17 | H17 | 119.7° | 120.1° |
| C12 | N11 | HN11 | 116.2° | 120.0° |
| C13 | C16 | C14 | 119.2° | 120.1° |
| C16 | C13 | H13 | 119.3° | 120.1° |
| C13 | C16 | H16 | 120.4° | 119.9° |
| C15 | C14 | C16 | 119.7° | 120.2° |
| C14 | C15 | C17 | 120.5° | 120.0° |
| C14 | C15 | C18 | 119.8° | 120.0° |
| C15 | C14 | H14 | 120.1° | 119.9° |
| C16 | C14 | H14 | 120.2° | 119.9° |
| C14 | C16 | H16 | 120.4° | 120.0° |
| C17 | C15 | C18 | 119.7° | 120.0° |
| C15 | C17 | H17 | 119.7° | 120.0° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C15 | C18 | H18A | 109.5° | 109.5° |
| C15 | C18 | H18B | 109.4° | 109.5° |
| N7 | C19 | C24 | 112.3° | 109.5° |
| N7 | C19 | C20 | 109.8° | 109.5° |
| C19 | N7 | HN7 | 105.3° | 120.0° |
| N7 | C19 | H19 | 108.1° | 109.5° |
| C24 | C19 | C20 | 111.8° | 109.5° |
| C19 | C24 | N25 | 111.1° | 109.5° |
| C19 | C24 | C23 | 110.9° | 109.5° |
| C24 | C19 | H19 | 105.9° | 109.5° |
| C19 | C24 | H24 | 107.1° | 109.4° |
| C19 | C20 | C21 | 111.7° | 109.5° |
| C20 | C19 | H19 | 108.7° | 109.5° |
| C19 | C20 | H20 | 108.7° | 109.5° |
| C19 | C20 | H20A | 108.2° | 109.5° |
| N25 | C24 | C23 | 108.6° | 109.5° |
| N25 | C24 | H24 | 109.4° | 109.5° |
| C24 | N25 | HN25 | 109.5° | 111.0° |
| C24 | N25 | HN2A | 109.4° | 111.0° |
| C24 | C23 | C22 | 112.2° | 109.5° |
| C23 | C24 | H24 | 109.7° | 109.5° |
| C24 | C23 | H23 | 108.6° | 109.4° |
| C24 | C23 | H23A | 108.0° | 109.4° |
| C23 | C22 | C21 | 113.3° | 109.5° |
| C22 | C23 | H23 | 108.6° | 109.5° |
| C22 | C23 | H23A | 108.0° | 109.5° |
| C23 | C22 | H22 | 108.2° | 109.5° |
| C23 | C22 | H22A | 107.3° | 109.5° |
| C22 | C21 | C20 | 112.6° | 109.5° |
| C21 | C22 | H22 | 108.2° | 109.5° |
| C21 | C22 | H22A | 107.3° | 109.5° |
| C22 | C21 | H21 | 108.5° | 109.5° |
| C22 | C21 | H21A | 107.7° | 109.4° |
| C20 | C21 | H21 | 108.4° | 109.5° |
| C20 | C21 | H21A | 107.8° | 109.5° |
| C21 | C20 | H20 | 108.7° | 109.4° |
| C21 | C20 | H20A | 108.2° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| HN9 | N9 | HN9A | 125.0° | 120.0° |
| HN25 | N25 | HN2A | 109.5° | 111.0° |
| H23 | C23 | H23A | 111.6° | 109.5° |
| H22 | C22 | H22A | 112.5° | 109.4° |
| H21 | C21 | H21A | 111.9° | 109.5° |
| H20 | C20 | H20A | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N5 | N7 | 179.9° | 179.8° |
| N1 | C2 | N5 | C3 | 0.3° | 0.0° |
| C2 | N1 | C6 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | N11 | 179.7° | 180.0° |
| N1 | C2 | N7 | C19 | 8.0° | 180.0° |
| N1 | C2 | N7 | HN7 | 127.9° | 0.1° |
| C2 | N5 | C3 | C4 | 0.0° | 0.0° |
| N5 | C2 | N1 | C6 | 0.4° | 0.0° |
| N5 | C2 | N7 | C19 | 172.1° | 0.2° |
| C2 | N5 | C3 | H3 | 180.0° | 180.0° |
| N5 | C2 | N7 | HN7 | 52.1° | 179.7° |
| N7 | C2 | N5 | C3 | 179.8° | 179.7° |
| N7 | C2 | N1 | C6 | 179.7° | 179.8° |
| C2 | N7 | C19 | HN7 | 120.0° | 179.9° |
| C2 | N7 | C19 | C24 | 85.2° | 155.0° |
| C2 | N7 | C19 | C20 | 149.7° | 85.0° |
| C2 | N7 | C19 | H19 | 31.2° | 35.0° |
| C4 | C3 | N5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C6 | N1 | 0.1° | 0.1° |
| C3 | C4 | C6 | C8 | 180.0° | 179.9° |
| C3 | C4 | C6 | N11 | 180.0° | 180.0° |
| C3 | C4 | C8 | O10 | 179.2° | 174.4° |
| C3 | C4 | C8 | N9 | 0.6° | 5.6° |
| N5 | C3 | C4 | C6 | 0.2° | 0.1° |
| N5 | C3 | C4 | C8 | 179.9° | 180.0° |
| N1 | C6 | C4 | N11 | 179.9° | 179.9° |
| N1 | C6 | C4 | C8 | 180.0° | 180.0° |
| N1 | C6 | N11 | C12 | 2.3° | 7.3° |
| N1 | C6 | N11 | HN11 | 177.7° | 172.7° |
| C6 | C4 | C8 | O10 | 0.9° | 5.7° |
| C6 | C4 | C8 | N9 | 179.3° | 174.3° |
| C4 | C6 | N11 | C12 | 177.6° | 172.8° |
| C6 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C6 | N11 | HN11 | 2.4° | 7.2° |
| C8 | C4 | C6 | N11 | 0.0° | 0.1° |
| C4 | C8 | O10 | N9 | 179.8° | 180.0° |
| C8 | C4 | C3 | H3 | 0.1° | 0.1° |
| C4 | C8 | N9 | HN9 | 0.1° | 0.0° |
| C4 | C8 | N9 | HN9A | 179.9° | 180.0° |
| C6 | N11 | C12 | C13 | 15.2° | 33.5° |
| C6 | N11 | C12 | C17 | 164.7° | 146.7° |
| C6 | N11 | C12 | HN11 | 180.0° | 180.0° |
| O10 | C8 | N9 | HN9 | 179.9° | 180.0° |
| O10 | C8 | N9 | HN9A | 0.1° | 0.0° |
| C8 | N9 | HN9 | HN9A | 180.0° | 180.0° |
| C13 | C12 | C17 | N11 | 179.9° | 179.7° |
| C12 | C13 | C16 | H13 | 180.0° | 180.0° |
| C12 | C13 | C16 | C14 | 0.5° | 0.1° |
| C13 | C12 | C17 | C15 | 0.1° | 0.0° |
| C12 | C13 | C16 | H16 | 179.5° | 180.0° |
| C13 | C12 | C17 | H17 | 179.9° | 180.0° |
| C13 | C12 | N11 | HN11 | 164.8° | 146.5° |
| C17 | C12 | C13 | C16 | 0.3° | 0.0° |
| C12 | C17 | C15 | C14 | 0.4° | 0.0° |
| C12 | C17 | C15 | H17 | 180.0° | 180.0° |
| C12 | C17 | C15 | C18 | 179.1° | 179.9° |
| C17 | C12 | C13 | H13 | 179.7° | 180.0° |
| C17 | C12 | N11 | HN11 | 15.3° | 33.3° |
| N11 | C12 | C13 | C16 | 179.6° | 179.7° |
| N11 | C12 | C17 | C15 | 180.0° | 179.7° |
| N11 | C12 | C13 | H13 | 0.4° | 0.3° |
| N11 | C12 | C17 | H17 | 0.1° | 0.3° |
| C13 | C16 | C14 | C15 | 0.2° | 0.1° |
| C13 | C16 | C14 | H16 | 180.0° | 179.9° |
| C13 | C16 | C14 | H14 | 179.9° | 180.0° |
| C15 | C14 | C16 | H14 | 180.0° | 179.9° |
| C14 | C15 | C17 | C18 | 179.5° | 179.9° |
| C15 | C14 | C16 | H16 | 179.8° | 180.0° |
| C14 | C15 | C17 | H17 | 179.6° | 180.0° |
| C14 | C15 | C18 | H18 | 69.3° | 90.0° |
| C14 | C15 | C18 | H18A | 170.7° | 150.0° |
| C14 | C15 | C18 | H18B | 50.7° | 30.0° |
| C16 | C14 | C15 | C17 | 0.3° | 0.1° |
| C16 | C14 | C15 | C18 | 179.2° | 180.0° |
| C14 | C16 | C13 | H13 | 179.5° | 179.9° |
| C17 | C15 | C14 | H14 | 179.7° | 180.0° |
| C17 | C15 | C18 | H18 | 110.2° | 90.0° |
| C17 | C15 | C18 | H18A | 9.8° | 29.9° |
| C17 | C15 | C18 | H18B | 129.8° | 149.9° |
| C18 | C15 | C14 | H14 | 0.8° | 0.1° |
| C18 | C15 | C17 | H17 | 0.9° | 0.0° |
| C15 | C18 | H18 | H18A | 120.0° | 120.0° |
| C15 | C18 | H18 | H18B | 120.0° | 120.0° |
| C15 | C18 | H18A | H18B | 120.0° | 120.0° |
| N7 | C19 | C24 | C20 | 123.9° | 120.0° |
| N7 | C19 | C24 | H19 | 117.8° | 120.0° |
| N7 | C19 | C20 | H19 | 118.1° | 120.0° |
| N7 | C19 | C24 | N25 | 58.8° | 60.0° |
| N7 | C19 | C24 | C23 | 179.7° | 60.0° |
| N7 | C19 | C20 | C21 | 180.0° | 60.0° |
| N7 | C19 | C24 | H24 | 60.6° | 180.0° |
| N7 | C19 | C20 | H20 | 60.0° | 60.0° |
| N7 | C19 | C20 | H20A | 60.9° | 180.0° |
| C24 | C19 | C20 | H19 | 116.5° | 120.0° |
| C19 | C24 | N25 | C23 | 122.2° | 120.0° |
| C19 | C24 | N25 | H24 | 118.1° | 120.0° |
| C19 | C24 | C23 | H24 | 118.1° | 120.0° |
| C19 | C24 | C23 | C22 | 53.7° | 60.0° |
| C24 | C19 | C20 | C21 | 54.6° | 60.0° |
| C24 | C19 | N7 | HN7 | 34.7° | 25.0° |
| C19 | C24 | N25 | HN25 | 129.6° | 180.0° |
| C19 | C24 | N25 | HN2A | 9.6° | 56.0° |
| C19 | C24 | C23 | H23 | 66.3° | 180.0° |
| C19 | C24 | C23 | H23A | 172.6° | 60.0° |
| C24 | C19 | C20 | H20 | 65.4° | 180.0° |
| C24 | C19 | C20 | H20A | 173.7° | 60.0° |
| C20 | C19 | C24 | N25 | 65.1° | 180.0° |
| C20 | C19 | C24 | C23 | 55.8° | 60.0° |
| C19 | C20 | C21 | C22 | 51.5° | 60.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 119.1° | 120.0° |
| C20 | C19 | N7 | HN7 | 90.3° | 95.0° |
| C20 | C19 | C24 | H24 | 175.4° | 60.0° |
| C19 | C20 | C21 | H21 | 68.5° | 180.0° |
| C19 | C20 | C21 | H21A | 170.2° | 60.0° |
| C19 | C20 | H20 | H20A | 119.1° | 120.1° |
| N25 | C24 | C23 | H24 | 119.6° | 120.0° |
| N25 | C24 | C23 | C22 | 68.7° | 180.0° |
| N25 | C24 | C19 | H19 | 176.7° | 59.9° |
| C24 | N25 | HN25 | HN2A | 120.0° | 124.0° |
| N25 | C24 | C23 | H23 | 171.3° | 60.0° |
| N25 | C24 | C23 | H23A | 50.2° | 60.0° |
| C24 | C23 | C22 | H23 | 120.0° | 119.9° |
| C24 | C23 | C22 | H23A | 118.8° | 120.0° |
| C24 | C23 | C22 | C21 | 51.5° | 60.0° |
| C23 | C24 | C19 | H19 | 62.5° | 180.0° |
| C23 | C24 | N25 | HN25 | 108.2° | 60.0° |
| C23 | C24 | N25 | HN2A | 131.9° | 176.0° |
| C24 | C23 | H23 | H23A | 118.9° | 120.0° |
| C24 | C23 | C22 | H22 | 171.5° | 60.0° |
| C24 | C23 | C22 | H22A | 66.8° | 180.0° |
| C23 | C22 | C21 | H22 | 120.0° | 120.0° |
| C23 | C22 | C21 | H22A | 118.3° | 120.0° |
| C23 | C22 | C21 | C20 | 50.2° | 60.0° |
| C22 | C23 | C24 | H24 | 171.8° | 60.0° |
| C22 | C23 | H23 | H23A | 118.9° | 120.1° |
| C23 | C22 | H22 | H22A | 118.4° | 120.0° |
| C23 | C22 | C21 | H21 | 69.8° | 180.0° |
| C23 | C22 | C21 | H21A | 168.9° | 60.0° |
| C22 | C21 | C20 | H21 | 120.0° | 120.0° |
| C22 | C21 | C20 | H21A | 118.7° | 120.0° |
| C21 | C22 | C23 | H23 | 68.5° | 179.9° |
| C21 | C22 | C23 | H23A | 170.4° | 60.0° |
| C21 | C22 | H22 | H22A | 118.4° | 120.0° |
| C22 | C21 | H21 | H21A | 118.7° | 120.0° |
| C22 | C21 | C20 | H20 | 68.5° | 180.0° |
| C22 | C21 | C20 | H20A | 170.6° | 60.0° |
| C21 | C20 | C19 | H19 | 61.9° | 180.0° |
| C20 | C21 | C22 | H22 | 170.2° | 60.0° |
| C20 | C21 | C22 | H22A | 68.1° | 180.0° |
| C20 | C21 | H21 | H21A | 118.7° | 120.0° |
| C21 | C20 | H20 | H20A | 119.1° | 120.0° |
| H13 | C13 | C16 | H16 | 0.5° | 0.0° |
| H14 | C14 | C16 | H16 | 0.2° | 0.1° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| HN7 | N7 | C19 | H19 | 151.2° | 145.0° |
| H19 | C19 | C24 | H24 | 57.2° | 60.0° |
| H19 | C19 | C20 | H20 | 178.1° | 60.0° |
| H19 | C19 | C20 | H20A | 57.2° | 60.1° |
| H24 | C24 | N25 | HN25 | 11.6° | 60.0° |
| H24 | C24 | N25 | HN2A | 108.4° | 63.9° |
| H24 | C24 | C23 | H23 | 51.8° | 60.0° |
| H24 | C24 | C23 | H23A | 69.4° | 180.0° |
| H23 | C23 | C22 | H22 | 51.5° | 59.9° |
| H23 | C23 | C22 | H22A | 173.2° | 60.0° |
| H23A | C23 | C22 | H22 | 69.6° | 180.0° |
| H23A | C23 | C22 | H22A | 52.0° | 60.1° |
| H22 | C22 | C21 | H21 | 50.2° | 60.0° |
| H22 | C22 | C21 | H21A | 71.1° | 180.0° |
| H22A | C22 | C21 | H21 | 171.9° | 60.0° |
| H22A | C22 | C21 | H21A | 50.5° | 60.0° |
| H21 | C21 | C20 | H20 | 171.5° | 60.0° |
| H21 | C21 | C20 | H20A | 50.6° | 60.0° |
| H21A | C21 | C20 | H20 | 50.2° | 60.0° |
| H21A | C21 | C20 | H20A | 70.7° | 180.0° |
