P0Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| N04 | C02 | sing | 1.47Å | 1.40Å | |
| N04 | C14 | sing | 1.47Å | 1.39Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C23 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C23 | O22 | sing | 1.43Å | 1.39Å | |
| C15 | O22 | sing | 1.43Å | 1.39Å | |
| C15 | C16 | sing | 1.51Å | 1.57Å | |
| C16 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| N04 | C1 | sing | 1.47Å | 5.13Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | C3 | sing | 1.51Å | 0.00Å | |
| C3 | N1 | sing | 1.35Å | 0.00Å | |
| N1 | C5 | sing | 1.35Å | 0.00Å | |
| C5 | N2 | sing | 1.35Å | 0.00Å | |
| N2 | C7 | sing | 1.46Å | 0.00Å | |
| C3 | O1 | doub | 1.21Å | 0.00Å | |
| C5 | O2 | doub | 1.21Å | 0.00Å | |
| C1 | H17 | sing | 1.09Å | 0.00Å | |
| C1 | H18 | sing | 1.09Å | 0.00Å | |
| C2 | H19 | sing | 1.09Å | 0.00Å | |
| C2 | H20 | sing | 1.09Å | 0.00Å | |
| N1 | H21 | sing | 0.97Å | 0.00Å | |
| N2 | H22 | sing | 0.97Å | 0.00Å | |
| C7 | H23 | sing | 1.09Å | 0.00Å | |
| C7 | H24 | sing | 1.09Å | 0.00Å | |
| C7 | H25 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | N04 | 106.0° | 109.5° |
| C03 | C02 | C01 | 108.5° | 109.5° |
| C03 | C02 | C23 | 107.1° | 109.5° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | N04 | C14 | 115.7° | 110.8° |
| N04 | C02 | C01 | 110.0° | 109.5° |
| N04 | C02 | C23 | 114.0° | 109.3° |
| C02 | N04 | C1 | 132.3° | 111.0° |
| N04 | C14 | C15 | 114.6° | 109.3° |
| N04 | C14 | H11 | 108.2° | 109.5° |
| N04 | C14 | H12 | 108.2° | 109.6° |
| C14 | N04 | C1 | 108.8° | 111.0° |
| C01 | C02 | C23 | 111.0° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C23 | O22 | 111.3° | 109.3° |
| C02 | C23 | H15 | 109.0° | 109.5° |
| C02 | C23 | H16 | 109.0° | 109.5° |
| C14 | C15 | O22 | 113.6° | 109.2° |
| C14 | C15 | C16 | 128.7° | 109.5° |
| C14 | C15 | H1 | 106.6° | 109.5° |
| C15 | C14 | H11 | 108.2° | 109.5° |
| C15 | C14 | H12 | 108.2° | 109.5° |
| C23 | O22 | C15 | 111.2° | 113.7° |
| O22 | C23 | H15 | 109.0° | 109.5° |
| O22 | C23 | H16 | 109.0° | 109.5° |
| O22 | C15 | C16 | 91.7° | 109.5° |
| O22 | C15 | H1 | 108.4° | 109.5° |
| C15 | C16 | C21 | 117.8° | 120.0° |
| C15 | C16 | C17 | 122.6° | 120.0° |
| C16 | C15 | H1 | 106.3° | 109.6° |
| C21 | C16 | C17 | 119.5° | 120.0° |
| C16 | C21 | C20 | 120.6° | 120.0° |
| C16 | C21 | H4 | 119.7° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H2 | 120.0° | 120.0° |
| C21 | C20 | C19 | 119.8° | 120.0° |
| C21 | C20 | H3 | 120.1° | 120.0° |
| C20 | C21 | H4 | 119.7° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | H2 | 120.0° | 120.0° |
| C17 | C18 | H13 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C19 | C20 | H3 | 120.1° | 120.0° |
| C20 | C19 | H14 | 120.1° | 120.0° |
| C19 | C18 | H13 | 119.9° | 120.0° |
| C18 | C19 | H14 | 120.1° | 120.0° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H8 | C03 | H9 | 109.4° | 109.4° |
| H8 | C03 | H10 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| N04 | C1 | C2 | 90.0° | 109.5° |
| N04 | C1 | H17 | 90.0° | 109.4° |
| N04 | C1 | H18 | 90.0° | 109.5° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H17 | 90.0° | 109.5° |
| C2 | C1 | H18 | 90.0° | 109.5° |
| C1 | C2 | H19 | 90.0° | 109.5° |
| C1 | C2 | H20 | 90.0° | 109.5° |
| C2 | C3 | N1 | 90.0° | 120.0° |
| C2 | C3 | O1 | 90.0° | 120.0° |
| C3 | C2 | H19 | 90.0° | 109.5° |
| C3 | C2 | H20 | 90.0° | 109.4° |
| C3 | N1 | C5 | 90.0° | 120.0° |
| N1 | C3 | O1 | 90.0° | 120.0° |
| C3 | N1 | H21 | 90.0° | 120.0° |
| N1 | C5 | N2 | 90.0° | 120.0° |
| N1 | C5 | O2 | 90.0° | 120.0° |
| C5 | N1 | H21 | 90.0° | 120.0° |
| C5 | N2 | C7 | 90.0° | 120.0° |
| N2 | C5 | O2 | 90.0° | 120.0° |
| C5 | N2 | H22 | 90.0° | 120.0° |
| C7 | N2 | H22 | 90.0° | 120.0° |
| N2 | C7 | H23 | 90.0° | 109.5° |
| N2 | C7 | H24 | 90.0° | 109.5° |
| N2 | C7 | H25 | 90.0° | 109.5° |
| H17 | C1 | H18 | 90.0° | 109.5° |
| H19 | C2 | H20 | 90.0° | 109.5° |
| H23 | C7 | H24 | 90.0° | 109.4° |
| H23 | C7 | H25 | 90.0° | 109.4° |
| H24 | C7 | H25 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | N04 | C01 | 117.1° | 120.1° |
| C03 | C02 | N04 | C23 | 117.5° | 120.0° |
| C03 | C02 | N04 | C14 | 142.9° | 61.4° |
| C03 | C02 | C01 | C23 | 117.4° | 120.1° |
| C03 | C02 | C23 | O22 | 87.5° | 63.1° |
| C03 | C02 | C01 | H5 | 180.0° | 60.1° |
| C03 | C02 | C01 | H6 | 60.0° | 59.8° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C02 | C03 | H8 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H10 | 120.0° | 120.1° |
| C03 | C02 | C23 | H15 | 32.8° | 56.8° |
| C03 | C02 | C23 | H16 | 152.3° | 176.9° |
| C03 | C02 | N04 | C1 | 60.3° | 174.8° |
| C02 | N04 | C14 | C1 | 162.1° | 123.8° |
| N04 | C02 | C01 | C23 | 127.1° | 119.8° |
| C02 | N04 | C14 | C15 | 47.1° | 58.6° |
| N04 | C02 | C23 | O22 | 29.4° | 56.8° |
| N04 | C02 | C01 | H5 | 64.5° | 179.8° |
| N04 | C02 | C01 | H6 | 175.5° | 60.3° |
| N04 | C02 | C01 | H7 | 55.5° | 59.9° |
| N04 | C02 | C03 | H8 | 180.0° | 179.9° |
| N04 | C02 | C03 | H9 | 60.0° | 59.9° |
| N04 | C02 | C03 | H10 | 60.0° | 60.1° |
| C02 | N04 | C14 | H11 | 73.7° | 61.4° |
| C02 | N04 | C14 | H12 | 167.8° | 178.6° |
| N04 | C02 | C23 | H15 | 149.7° | 176.8° |
| N04 | C02 | C23 | H16 | 90.9° | 63.1° |
| C02 | N04 | C1 | C2 | 90.0° | 170.0° |
| C02 | N04 | C1 | H17 | 90.0° | 70.0° |
| C02 | N04 | C1 | H18 | 90.0° | 50.0° |
| C14 | N04 | C02 | C01 | 100.1° | 178.5° |
| C14 | N04 | C02 | C23 | 25.3° | 58.6° |
| N04 | C14 | C15 | H11 | 120.8° | 120.0° |
| N04 | C14 | C15 | H12 | 120.7° | 120.0° |
| N04 | C14 | C15 | O22 | 13.4° | 56.8° |
| N04 | C14 | C15 | C16 | 99.5° | 176.8° |
| N04 | C14 | C15 | H1 | 132.6° | 63.1° |
| N04 | C14 | H11 | H12 | 117.6° | 120.1° |
| C14 | N04 | C1 | C2 | 90.0° | 66.4° |
| C14 | N04 | C1 | H17 | 90.0° | 53.7° |
| C14 | N04 | C1 | H18 | 90.0° | 173.6° |
| C01 | C02 | C23 | O22 | 154.3° | 176.8° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 119.9° | 120.1° |
| C01 | C02 | C03 | H8 | 62.0° | 60.0° |
| C01 | C02 | C03 | H9 | 178.1° | 180.0° |
| C01 | C02 | C03 | H10 | 58.1° | 60.0° |
| C01 | C02 | C23 | H15 | 85.4° | 63.3° |
| C01 | C02 | C23 | H16 | 34.0° | 56.8° |
| C01 | C02 | N04 | C1 | 56.8° | 54.8° |
| C02 | C23 | O22 | H15 | 120.3° | 119.9° |
| C02 | C23 | O22 | H16 | 120.3° | 120.0° |
| C02 | C23 | O22 | C15 | 63.0° | 58.7° |
| C23 | C02 | C01 | H5 | 62.6° | 60.0° |
| C23 | C02 | C01 | H6 | 57.4° | 179.9° |
| C23 | C02 | C01 | H7 | 177.4° | 59.9° |
| C23 | C02 | C03 | H8 | 57.9° | 60.1° |
| C23 | C02 | C03 | H9 | 62.1° | 59.9° |
| C23 | C02 | C03 | H10 | 177.9° | 179.9° |
| C02 | C23 | H15 | H16 | 119.2° | 120.1° |
| C23 | C02 | N04 | C1 | 177.8° | 65.2° |
| C14 | C15 | O22 | C23 | 41.2° | 58.7° |
| C14 | C15 | O22 | C16 | 134.0° | 119.9° |
| C14 | C15 | O22 | H1 | 118.2° | 119.9° |
| C14 | C15 | C16 | H1 | 127.9° | 120.1° |
| C14 | C15 | C16 | C21 | 65.0° | 95.2° |
| C14 | C15 | C16 | C17 | 115.2° | 84.8° |
| C15 | C14 | H11 | H12 | 117.7° | 120.1° |
| C15 | C14 | N04 | C1 | 150.8° | 65.2° |
| C23 | O22 | C15 | C16 | 175.2° | 178.6° |
| C23 | O22 | C15 | H1 | 77.0° | 61.3° |
| O22 | C23 | H15 | H16 | 119.2° | 120.1° |
| O22 | C15 | C16 | H1 | 109.7° | 120.1° |
| O22 | C15 | C16 | C21 | 172.6° | 145.1° |
| O22 | C15 | C16 | C17 | 7.2° | 35.0° |
| O22 | C15 | C14 | H11 | 107.4° | 63.1° |
| O22 | C15 | C14 | H12 | 134.1° | 176.9° |
| C15 | O22 | C23 | H15 | 176.7° | 178.7° |
| C15 | O22 | C23 | H16 | 57.3° | 61.3° |
| C15 | C16 | C21 | C17 | 179.8° | 180.0° |
| C15 | C16 | C21 | C20 | 180.0° | 179.4° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C15 | C16 | C17 | H2 | 0.0° | 0.3° |
| C15 | C16 | C21 | H4 | 0.0° | 0.3° |
| C16 | C15 | C14 | H11 | 139.7° | 56.8° |
| C16 | C15 | C14 | H12 | 21.2° | 63.2° |
| C16 | C21 | C20 | H4 | 180.0° | 179.1° |
| C21 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C21 | C20 | C19 | 0.1° | 0.9° |
| C21 | C16 | C15 | H1 | 62.9° | 25.0° |
| C21 | C16 | C17 | H2 | 179.7° | 179.7° |
| C16 | C21 | C20 | H3 | 180.0° | 179.7° |
| C17 | C16 | C21 | C20 | 0.2° | 0.6° |
| C16 | C17 | C18 | H2 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C16 | C15 | H1 | 116.9° | 155.1° |
| C17 | C16 | C21 | H4 | 179.8° | 179.7° |
| C16 | C17 | C18 | H13 | 180.0° | 179.7° |
| C21 | C20 | C19 | H3 | 180.0° | 179.4° |
| C21 | C20 | C19 | C18 | 0.3° | 0.6° |
| C21 | C20 | C19 | H14 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | H14 | 179.8° | 179.4° |
| C20 | C19 | C18 | H14 | 180.0° | 179.4° |
| C19 | C20 | C21 | H4 | 179.9° | 180.0° |
| C20 | C19 | C18 | H13 | 179.7° | 180.0° |
| C19 | C18 | C17 | H2 | 180.0° | 180.0° |
| C18 | C19 | C20 | H3 | 179.7° | 180.0° |
| H1 | C15 | C14 | H11 | 11.9° | 177.0° |
| H1 | C15 | C14 | H12 | 106.6° | 57.0° |
| H2 | C17 | C18 | H13 | 0.0° | 0.1° |
| H3 | C20 | C21 | H4 | 0.1° | 0.6° |
| H3 | C20 | C19 | H14 | 0.3° | 0.6° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H8 | C03 | H9 | H10 | 120.0° | 119.9° |
| H11 | C14 | N04 | C1 | 88.4° | 174.9° |
| H12 | C14 | N04 | C1 | 30.1° | 54.8° |
| H13 | C18 | C19 | H14 | 0.3° | 0.7° |
| N04 | C1 | C2 | H17 | 90.0° | 120.0° |
| N04 | C1 | C2 | H18 | 90.0° | 120.0° |
| N04 | C1 | C2 | C3 | 90.0° | 180.0° |
| N04 | C1 | H17 | H18 | 90.0° | 120.0° |
| N04 | C1 | C2 | H19 | 90.0° | 60.0° |
| N04 | C1 | C2 | H20 | 90.0° | 60.0° |
| C1 | C2 | C3 | H19 | 90.0° | 120.0° |
| C1 | C2 | C3 | H20 | 90.0° | 120.0° |
| C1 | C2 | C3 | N1 | 90.0° | 180.0° |
| C1 | C2 | C3 | O1 | 90.0° | 0.0° |
| C2 | C1 | H17 | H18 | 90.0° | 120.0° |
| C1 | C2 | H19 | H20 | 90.0° | 120.0° |
| C2 | C3 | N1 | O1 | 90.0° | 180.0° |
| C2 | C3 | N1 | C5 | 90.0° | 180.0° |
| C3 | C2 | C1 | H17 | 90.0° | 60.0° |
| C3 | C2 | C1 | H18 | 90.0° | 60.0° |
| C3 | C2 | H19 | H20 | 90.0° | 120.0° |
| C2 | C3 | N1 | H21 | 90.0° | 0.0° |
| C3 | N1 | C5 | H21 | 90.0° | 179.9° |
| C3 | N1 | C5 | N2 | 90.0° | 180.0° |
| C3 | N1 | C5 | O2 | 90.0° | 0.0° |
| N1 | C3 | C2 | H19 | 90.0° | 60.0° |
| N1 | C3 | C2 | H20 | 90.0° | 60.0° |
| N1 | C5 | N2 | O2 | 90.0° | 180.0° |
| N1 | C5 | N2 | C7 | 90.0° | 180.0° |
| C5 | N1 | C3 | O1 | 90.0° | 0.0° |
| N1 | C5 | N2 | H22 | 90.0° | 0.1° |
| C5 | N2 | C7 | H22 | 90.0° | 179.9° |
| N2 | C5 | N1 | H21 | 90.0° | 0.1° |
| C5 | N2 | C7 | H23 | 90.0° | 59.9° |
| C5 | N2 | C7 | H24 | 90.0° | 60.1° |
| C5 | N2 | C7 | H25 | 90.0° | 180.0° |
| C7 | N2 | C5 | O2 | 90.0° | 0.1° |
| N2 | C7 | H23 | H24 | 90.0° | 120.0° |
| N2 | C7 | H23 | H25 | 90.0° | 120.1° |
| N2 | C7 | H24 | H25 | 90.0° | 120.0° |
| O1 | C3 | C2 | H19 | 90.0° | 120.0° |
| O1 | C3 | C2 | H20 | 90.0° | 120.0° |
| O1 | C3 | N1 | H21 | 90.0° | 180.0° |
| O2 | C5 | N1 | H21 | 90.0° | 180.0° |
| O2 | C5 | N2 | H22 | 90.0° | 180.0° |
| H17 | C1 | C2 | H19 | 90.0° | 180.0° |
| H17 | C1 | C2 | H20 | 90.0° | 60.0° |
| H18 | C1 | C2 | H19 | 90.0° | 60.0° |
| H18 | C1 | C2 | H20 | 90.0° | 180.0° |
| H22 | N2 | C7 | H23 | 90.0° | 120.0° |
| H22 | N2 | C7 | H24 | 90.0° | 120.0° |
| H22 | N2 | C7 | H25 | 90.0° | 0.0° |
| H23 | C7 | H24 | H25 | 90.0° | 119.9° |
