PN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O2 | doub | 1.21Å | 1.35Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | O4 | sing | 1.42Å | 1.37Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | N14 | sing | 1.47Å | 1.46Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N14 | C15 | sing | 1.35Å | 1.32Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | O16 | doub | 1.21Å | 1.35Å | |
| C15 | O17 | sing | 1.35Å | 1.36Å | |
| O17 | C18 | sing | 1.45Å | 1.45Å | |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C1 | O2 | 119.9° | 120.0° |
| N3 | C1 | H1 | 120.1° | 120.0° |
| C1 | N3 | C5 | 120.9° | 120.0° |
| C1 | N3 | O4 | 119.3° | 120.0° |
| O2 | C1 | H1 | 120.0° | 120.1° |
| C5 | N3 | O4 | 119.8° | 120.0° |
| N3 | C5 | C6 | 110.1° | 109.5° |
| N3 | C5 | H5 | 109.3° | 109.5° |
| N3 | C5 | H5A | 109.3° | 109.5° |
| N3 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | H5 | 109.3° | 109.4° |
| C6 | C5 | H5A | 109.3° | 109.5° |
| C5 | C6 | C7 | 110.6° | 109.5° |
| C5 | C6 | N14 | 111.4° | 109.5° |
| C5 | C6 | H6 | 106.4° | 109.4° |
| H5 | C5 | H5A | 109.7° | 109.5° |
| C7 | C6 | N14 | 106.5° | 109.5° |
| C7 | C6 | H6 | 111.4° | 109.5° |
| C6 | C7 | C8 | 109.9° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.4° |
| C6 | C7 | H7A | 109.3° | 109.5° |
| N14 | C6 | H6 | 110.6° | 109.4° |
| C6 | N14 | C15 | 122.9° | 120.0° |
| C6 | N14 | HN14 | 118.5° | 120.0° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C8 | C7 | H7A | 109.3° | 109.5° |
| C7 | C8 | C9 | 119.2° | 120.0° |
| C7 | C8 | C13 | 120.9° | 120.0° |
| H7 | C7 | H7A | 109.7° | 109.5° |
| C9 | C8 | C13 | 119.9° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C8 | C13 | C12 | 119.8° | 120.0° |
| C8 | C13 | H13 | 120.1° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C11 | C10 | H10 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C15 | N14 | HN14 | 118.6° | 120.0° |
| N14 | C15 | O16 | 122.0° | 120.0° |
| N14 | C15 | O17 | 116.3° | 120.0° |
| O16 | C15 | O17 | 121.7° | 120.0° |
| C15 | O17 | C18 | 120.7° | 117.0° |
| O17 | C18 | C21 | 112.4° | 109.4° |
| O17 | C18 | C20 | 104.2° | 109.5° |
| O17 | C18 | C19 | 109.8° | 109.4° |
| C21 | C18 | C20 | 109.5° | 109.5° |
| C21 | C18 | C19 | 110.8° | 109.5° |
| C18 | C21 | H21 | 109.5° | 109.5° |
| C18 | C21 | H21A | 109.5° | 109.4° |
| C18 | C21 | H21B | 109.4° | 109.5° |
| C20 | C18 | C19 | 110.0° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H20A | 109.5° | 109.5° |
| C18 | C20 | H20B | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H19A | 109.5° | 109.5° |
| C18 | C19 | H19B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C1 | O2 | H1 | 180.0° | 179.8° |
| C1 | N3 | C5 | O4 | 179.3° | 180.0° |
| C1 | N3 | O4 | HO4 | 0.6° | 179.9° |
| C1 | N3 | C5 | C6 | 108.5° | 75.0° |
| C1 | N3 | C5 | H5 | 11.5° | 165.0° |
| C1 | N3 | C5 | H5A | 131.4° | 45.0° |
| O2 | C1 | N3 | C5 | 179.6° | 180.0° |
| O2 | C1 | N3 | O4 | 1.1° | 0.0° |
| H1 | C1 | N3 | C5 | 0.4° | 0.2° |
| H1 | C1 | N3 | O4 | 178.9° | 179.7° |
| C5 | N3 | O4 | HO4 | 179.8° | 0.0° |
| N3 | C5 | C6 | H5 | 120.0° | 120.0° |
| N3 | C5 | C6 | H5A | 120.0° | 120.0° |
| N3 | C5 | H5 | H5A | 119.7° | 120.0° |
| N3 | C5 | C6 | C7 | 171.2° | 175.0° |
| N3 | C5 | C6 | N14 | 70.5° | 55.0° |
| N3 | C5 | C6 | H6 | 50.1° | 65.0° |
| O4 | N3 | C5 | C6 | 72.2° | 105.0° |
| O4 | N3 | C5 | H5 | 167.8° | 15.0° |
| O4 | N3 | C5 | H5A | 47.8° | 135.0° |
| C6 | C5 | H5 | H5A | 119.8° | 120.0° |
| C5 | C6 | C7 | N14 | 121.2° | 120.1° |
| C5 | C6 | C7 | H6 | 118.1° | 120.0° |
| C5 | C6 | N14 | H6 | 118.1° | 120.0° |
| C5 | C6 | C7 | C8 | 175.5° | 175.0° |
| C5 | C6 | C7 | H7 | 64.5° | 65.0° |
| C5 | C6 | C7 | H7A | 55.5° | 55.0° |
| C5 | C6 | N14 | C15 | 103.0° | 84.9° |
| C5 | C6 | N14 | HN14 | 77.0° | 95.0° |
| H5 | C5 | C6 | C7 | 68.8° | 55.1° |
| H5 | C5 | C6 | N14 | 49.5° | 65.0° |
| H5 | C5 | C6 | H6 | 170.1° | 175.1° |
| H5A | C5 | C6 | C7 | 51.2° | 64.9° |
| H5A | C5 | C6 | N14 | 169.5° | 175.0° |
| H5A | C5 | C6 | H6 | 69.9° | 55.0° |
| C7 | C6 | N14 | H6 | 121.1° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 119.9° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 119.8° | 120.0° |
| C6 | C7 | C8 | C9 | 82.9° | 89.8° |
| C6 | C7 | C8 | C13 | 96.9° | 90.0° |
| C7 | C6 | N14 | C15 | 136.2° | 155.0° |
| C7 | C6 | N14 | HN14 | 43.8° | 25.1° |
| N14 | C6 | C7 | C8 | 63.3° | 64.9° |
| N14 | C6 | C7 | H7 | 56.8° | 55.0° |
| N14 | C6 | C7 | H7A | 176.8° | 175.1° |
| C6 | N14 | C15 | HN14 | 180.0° | 179.9° |
| C6 | N14 | C15 | O16 | 3.4° | 0.0° |
| C6 | N14 | C15 | O17 | 178.4° | 180.0° |
| H6 | C6 | C7 | C8 | 57.4° | 55.0° |
| H6 | C6 | C7 | H7 | 177.4° | 175.0° |
| H6 | C6 | C7 | H7A | 62.6° | 65.0° |
| H6 | C6 | N14 | C15 | 15.1° | 35.0° |
| H6 | C6 | N14 | HN14 | 164.9° | 145.1° |
| C8 | C7 | H7 | H7A | 119.8° | 120.0° |
| C7 | C8 | C9 | C13 | 179.8° | 179.8° |
| C7 | C8 | C9 | C10 | 179.8° | 180.0° |
| C7 | C8 | C9 | H9 | 0.2° | 0.0° |
| C7 | C8 | C13 | C12 | 179.9° | 179.7° |
| C7 | C8 | C13 | H13 | 0.0° | 0.0° |
| H7 | C7 | C8 | C9 | 157.1° | 150.3° |
| H7 | C7 | C8 | C13 | 23.1° | 29.9° |
| H7A | C7 | C8 | C9 | 37.1° | 30.2° |
| H7A | C7 | C8 | C13 | 143.1° | 150.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C8 | C13 | C12 | 0.1° | 0.5° |
| C9 | C8 | C13 | H13 | 179.8° | 179.8° |
| C13 | C8 | C9 | C10 | 0.0° | 0.3° |
| C13 | C8 | C9 | H9 | 180.0° | 179.7° |
| C8 | C13 | C12 | C11 | 0.1° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C8 | C13 | C12 | H12 | 179.9° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 179.9° |
| H9 | C9 | C10 | C11 | 179.9° | 180.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.2° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.9° | 179.8° |
| H11 | C11 | C12 | C13 | 179.9° | 179.8° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| N14 | C15 | O16 | O17 | 178.1° | 180.0° |
| N14 | C15 | O17 | C18 | 144.2° | 180.0° |
| HN14 | N14 | C15 | O16 | 176.6° | 179.9° |
| HN14 | N14 | C15 | O17 | 1.6° | 0.0° |
| O16 | C15 | O17 | C18 | 37.6° | 0.0° |
| C15 | O17 | C18 | C21 | 43.1° | 180.0° |
| C15 | O17 | C18 | C20 | 161.6° | 60.0° |
| C15 | O17 | C18 | C19 | 80.7° | 60.0° |
| O17 | C18 | C21 | C20 | 115.3° | 120.0° |
| O17 | C18 | C21 | C19 | 123.3° | 120.0° |
| O17 | C18 | C20 | C19 | 117.6° | 120.0° |
| O17 | C18 | C19 | H19 | 180.0° | 60.0° |
| O17 | C18 | C19 | H19A | 60.0° | 180.0° |
| O17 | C18 | C19 | H19B | 60.0° | 60.0° |
| O17 | C18 | C20 | H20 | 180.0° | 60.0° |
| O17 | C18 | C20 | H20A | 60.0° | 180.0° |
| O17 | C18 | C20 | H20B | 60.0° | 60.0° |
| O17 | C18 | C21 | H21 | 180.0° | 60.0° |
| O17 | C18 | C21 | H21A | 60.0° | 180.0° |
| O17 | C18 | C21 | H21B | 60.0° | 60.0° |
| C21 | C18 | C20 | C19 | 122.0° | 120.1° |
| C21 | C18 | C19 | H19 | 55.2° | 180.0° |
| C21 | C18 | C19 | H19A | 64.7° | 60.0° |
| C21 | C18 | C19 | H19B | 175.2° | 59.9° |
| C21 | C18 | C20 | H20 | 59.5° | 59.9° |
| C21 | C18 | C20 | H20A | 179.5° | 60.0° |
| C21 | C18 | C20 | H20B | 60.5° | 180.0° |
| C18 | C21 | H21 | H21A | 120.0° | 119.9° |
| C18 | C21 | H21 | H21B | 120.0° | 120.0° |
| C18 | C21 | H21A | H21B | 120.0° | 120.0° |
| C20 | C18 | C19 | H19 | 66.0° | 60.0° |
| C20 | C18 | C19 | H19A | 174.1° | 60.0° |
| C20 | C18 | C19 | H19B | 54.0° | 180.0° |
| C18 | C20 | H20 | H20A | 120.0° | 120.0° |
| C18 | C20 | H20 | H20B | 120.0° | 120.0° |
| C18 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | C18 | C21 | H21 | 64.7° | 180.0° |
| C20 | C18 | C21 | H21A | 55.3° | 60.0° |
| C20 | C18 | C21 | H21B | 175.3° | 59.9° |
| C18 | C19 | H19 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19B | 120.0° | 120.1° |
| C18 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C18 | C20 | H20 | 62.4° | 180.0° |
| C19 | C18 | C20 | H20A | 57.6° | 60.0° |
| C19 | C18 | C20 | H20B | 177.6° | 59.9° |
| C19 | C18 | C21 | H21 | 56.8° | 60.0° |
| C19 | C18 | C21 | H21A | 176.8° | 60.0° |
| C19 | C18 | C21 | H21B | 63.3° | 180.0° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.1° |
