ZO5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | C7 | sing | 1.44Å | 1.43Å | |
| C7 | O3 | sing | 1.44Å | 1.43Å | |
| O3 | C8 | sing | 1.37Å | 1.38Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N3 | C14 | sing | 1.35Å | 1.35Å | |
| C14 | O4 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | doub | 1.37Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.37Å | Aromatic |
| C18 | O5 | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| C15 | O5 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 121.2° | 120.0° |
| O1 | C1 | N2 | 121.0° | 120.0° |
| C1 | N1 | C2 | 123.3° | 120.0° |
| N1 | C1 | N2 | 117.8° | 120.0° |
| C1 | N1 | H1 | 118.4° | 120.0° |
| N1 | C2 | C3 | 111.1° | 109.5° |
| C2 | N1 | H1 | 118.4° | 119.9° |
| N1 | C2 | H2 | 109.1° | 109.5° |
| N1 | C2 | H3 | 109.1° | 109.5° |
| C2 | C3 | C4 | 120.1° | 119.9° |
| C2 | C3 | C9 | 120.0° | 119.9° |
| C3 | C2 | H2 | 109.0° | 109.4° |
| C3 | C2 | H3 | 109.1° | 109.5° |
| C3 | C4 | C5 | 122.2° | 120.1° |
| C4 | C3 | C9 | 119.9° | 120.2° |
| C3 | C4 | H4 | 118.9° | 119.9° |
| C4 | C5 | C6 | 116.6° | 120.1° |
| C5 | C4 | H4 | 118.9° | 120.0° |
| C4 | C5 | H5 | 121.7° | 119.9° |
| C5 | C6 | O2 | 128.1° | 131.5° |
| C5 | C6 | C8 | 121.9° | 119.8° |
| C6 | C5 | H5 | 121.7° | 120.0° |
| C6 | O2 | C7 | 105.7° | 105.5° |
| O2 | C6 | C8 | 110.1° | 108.7° |
| O2 | C7 | O3 | 108.5° | 103.7° |
| O2 | C7 | H7 | 109.7° | 110.6° |
| O2 | C7 | H6 | 109.7° | 110.7° |
| C7 | O3 | C8 | 105.6° | 105.5° |
| O3 | C7 | H7 | 109.7° | 110.5° |
| O3 | C7 | H6 | 109.7° | 110.5° |
| O3 | C8 | C9 | 128.1° | 131.5° |
| O3 | C8 | C6 | 109.9° | 108.6° |
| C8 | C9 | C3 | 117.4° | 120.0° |
| C9 | C8 | C6 | 122.0° | 119.9° |
| C8 | C9 | H8 | 121.3° | 120.0° |
| C1 | N2 | C10 | 121.6° | 120.6° |
| C1 | N2 | C13 | 125.1° | 120.7° |
| N2 | C10 | C11 | 111.5° | 108.7° |
| C10 | N2 | C13 | 113.1° | 118.7° |
| N2 | C10 | H9 | 109.0° | 109.6° |
| N2 | C10 | H10 | 109.0° | 109.8° |
| C10 | C11 | N3 | 110.0° | 108.6° |
| C11 | C10 | H9 | 109.0° | 109.6° |
| C11 | C10 | H10 | 109.0° | 109.6° |
| C10 | C11 | H12 | 109.3° | 109.6° |
| C10 | C11 | H11 | 109.4° | 109.6° |
| C11 | N3 | C12 | 110.7° | 118.9° |
| C11 | N3 | C14 | 127.9° | 120.6° |
| N3 | C11 | H12 | 109.4° | 109.6° |
| N3 | C11 | H11 | 109.3° | 109.6° |
| N3 | C12 | C13 | 108.8° | 108.6° |
| C12 | N3 | C14 | 121.3° | 120.6° |
| N3 | C12 | H13 | 109.6° | 109.6° |
| N3 | C12 | H14 | 109.7° | 109.6° |
| C12 | C13 | N2 | 111.4° | 108.4° |
| C12 | C13 | H16 | 109.0° | 109.6° |
| C12 | C13 | H15 | 109.0° | 109.6° |
| C13 | C12 | H13 | 109.7° | 109.6° |
| C13 | C12 | H14 | 109.6° | 109.6° |
| N3 | C14 | O4 | 119.6° | 120.0° |
| N3 | C14 | C15 | 123.8° | 120.0° |
| O4 | C14 | C15 | 116.6° | 120.0° |
| C14 | C15 | C16 | 131.1° | 126.0° |
| C14 | C15 | O5 | 118.7° | 126.0° |
| C15 | C16 | C17 | 107.0° | 106.7° |
| C16 | C15 | O5 | 110.1° | 108.0° |
| C15 | C16 | H17 | 126.5° | 126.7° |
| C16 | C17 | C18 | 106.1° | 107.1° |
| C16 | C17 | H18 | 127.0° | 126.4° |
| C17 | C16 | H17 | 126.5° | 126.6° |
| C17 | C18 | O5 | 110.1° | 108.8° |
| C18 | C17 | H18 | 127.0° | 126.5° |
| C17 | C18 | H19 | 124.9° | 125.7° |
| C18 | O5 | C15 | 106.7° | 109.4° |
| O5 | C18 | H19 | 124.9° | 125.6° |
| C3 | C9 | H8 | 121.3° | 120.0° |
| N2 | C13 | H16 | 109.0° | 109.5° |
| N2 | C13 | H15 | 109.0° | 110.1° |
| H7 | C7 | H6 | 109.5° | 110.5° |
| H9 | C10 | H10 | 109.5° | 109.6° |
| H16 | C13 | H15 | 109.5° | 109.6° |
| H12 | C11 | H11 | 109.5° | 109.8° |
| H13 | C12 | H14 | 109.5° | 109.7° |
| H2 | C2 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 177.9° | 180.0° |
| O1 | C1 | N1 | C2 | 9.8° | 5.2° |
| O1 | C1 | N2 | C10 | 9.2° | 5.2° |
| O1 | C1 | N2 | C13 | 175.3° | 174.6° |
| O1 | C1 | N1 | H1 | 170.2° | 174.5° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 126.2° | 179.7° |
| N1 | C1 | N2 | C10 | 168.7° | 174.8° |
| N1 | C1 | N2 | C13 | 6.8° | 5.5° |
| C1 | N1 | C2 | H2 | 6.0° | 60.3° |
| C1 | N1 | C2 | H3 | 113.6° | 59.6° |
| N1 | C2 | C3 | H2 | 120.2° | 120.0° |
| N1 | C2 | C3 | H3 | 120.3° | 120.1° |
| N1 | C2 | C3 | C4 | 65.2° | 90.0° |
| C2 | N1 | C1 | N2 | 172.3° | 174.9° |
| N1 | C2 | C3 | C9 | 113.0° | 89.5° |
| N1 | C2 | H2 | H3 | 119.3° | 120.0° |
| C2 | C3 | C4 | C9 | 178.2° | 179.5° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| C2 | C3 | C9 | C8 | 179.8° | 179.9° |
| C3 | C2 | N1 | H1 | 53.9° | 0.0° |
| C2 | C3 | C4 | H4 | 0.4° | 0.3° |
| C3 | C2 | H2 | H3 | 119.2° | 120.0° |
| C2 | C3 | C9 | H8 | 0.3° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C4 | C3 | C9 | C8 | 1.5° | 0.4° |
| C3 | C4 | C5 | H5 | 179.6° | 179.8° |
| C4 | C3 | C2 | H2 | 55.0° | 30.0° |
| C4 | C3 | C2 | H3 | 174.5° | 149.9° |
| C4 | C3 | C9 | H8 | 178.5° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C9 | 1.3° | 0.4° |
| C4 | C5 | C6 | C8 | 0.1° | 0.0° |
| C5 | C6 | O2 | C8 | 179.9° | 180.0° |
| C5 | C6 | O2 | C7 | 176.9° | 162.7° |
| C5 | C6 | C8 | O3 | 179.6° | 180.0° |
| C5 | C6 | C8 | C9 | 0.1° | 0.0° |
| C6 | C5 | C4 | H4 | 179.5° | 180.0° |
| C6 | O2 | C7 | O3 | 5.4° | 27.1° |
| O2 | C6 | C8 | O3 | 0.5° | 0.0° |
| O2 | C6 | C8 | C9 | 179.7° | 180.0° |
| O2 | C6 | C5 | H5 | 0.0° | 0.0° |
| C6 | O2 | C7 | H7 | 114.5° | 91.4° |
| C6 | O2 | C7 | H6 | 125.2° | 145.7° |
| O2 | C7 | O3 | H7 | 119.8° | 118.6° |
| O2 | C7 | O3 | H6 | 119.9° | 118.7° |
| O2 | C7 | O3 | C8 | 5.6° | 27.1° |
| C7 | O2 | C6 | C8 | 3.0° | 17.3° |
| O2 | C7 | H7 | H6 | 120.5° | 122.9° |
| C7 | O3 | C8 | C9 | 176.5° | 162.7° |
| C7 | O3 | C8 | C6 | 3.8° | 17.3° |
| O3 | C7 | H7 | H6 | 120.5° | 122.7° |
| O3 | C8 | C9 | C6 | 179.7° | 180.0° |
| O3 | C8 | C9 | C3 | 178.7° | 179.8° |
| C8 | O3 | C7 | H7 | 114.2° | 91.5° |
| C8 | O3 | C7 | H6 | 125.5° | 145.8° |
| O3 | C8 | C9 | H8 | 1.2° | 0.0° |
| C8 | C9 | C3 | H8 | 180.0° | 179.8° |
| C1 | N2 | C10 | C13 | 176.1° | 179.8° |
| C1 | N2 | C10 | C11 | 133.0° | 124.8° |
| C1 | N2 | C13 | C12 | 131.1° | 124.7° |
| N2 | C1 | N1 | H1 | 7.7° | 5.5° |
| C1 | N2 | C10 | H9 | 12.7° | 115.4° |
| C1 | N2 | C10 | H10 | 106.7° | 5.0° |
| C1 | N2 | C13 | H16 | 10.9° | 5.2° |
| C1 | N2 | C13 | H15 | 108.6° | 115.4° |
| N2 | C10 | C11 | H9 | 120.3° | 119.8° |
| N2 | C10 | C11 | H10 | 120.3° | 120.0° |
| N2 | C10 | C11 | N3 | 53.7° | 49.4° |
| C10 | N2 | C13 | C12 | 53.0° | 55.5° |
| N2 | C10 | H9 | H10 | 119.1° | 120.5° |
| C10 | N2 | C13 | H16 | 173.2° | 175.0° |
| C10 | N2 | C13 | H15 | 67.3° | 64.3° |
| N2 | C10 | C11 | H12 | 66.4° | 169.1° |
| N2 | C10 | C11 | H11 | 173.8° | 70.3° |
| C10 | C11 | N3 | H12 | 120.1° | 119.8° |
| C10 | C11 | N3 | H11 | 120.1° | 119.7° |
| C10 | C11 | N3 | C12 | 60.1° | 55.2° |
| C10 | C11 | N3 | C14 | 117.0° | 125.1° |
| C11 | C10 | N2 | C13 | 51.0° | 55.4° |
| C11 | C10 | H9 | H10 | 119.1° | 120.3° |
| C10 | C11 | H12 | H11 | 119.8° | 120.5° |
| C11 | N3 | C12 | C14 | 177.3° | 179.7° |
| C11 | N3 | C12 | C13 | 61.4° | 55.5° |
| C11 | N3 | C14 | O4 | 165.9° | 173.2° |
| C11 | N3 | C14 | C15 | 15.4° | 6.7° |
| N3 | C11 | C10 | H9 | 174.0° | 70.4° |
| N3 | C11 | C10 | H10 | 66.6° | 169.4° |
| N3 | C11 | H12 | H11 | 119.8° | 120.4° |
| C11 | N3 | C12 | H13 | 58.5° | 64.3° |
| C11 | N3 | C12 | H14 | 178.7° | 175.2° |
| N3 | C12 | C13 | H13 | 119.9° | 119.7° |
| N3 | C12 | C13 | H14 | 119.9° | 119.8° |
| C12 | N3 | C14 | O4 | 17.4° | 6.5° |
| C12 | N3 | C14 | C15 | 161.3° | 173.5° |
| N3 | C12 | C13 | N2 | 57.2° | 49.7° |
| N3 | C12 | C13 | H16 | 177.5° | 169.2° |
| N3 | C12 | C13 | H15 | 63.1° | 70.5° |
| C12 | N3 | C11 | H12 | 60.0° | 174.9° |
| C12 | N3 | C11 | H11 | 179.9° | 64.5° |
| N3 | C12 | H13 | H14 | 120.4° | 120.4° |
| C13 | C12 | N3 | C14 | 115.8° | 124.8° |
| C12 | C13 | N2 | H16 | 120.3° | 119.5° |
| C12 | C13 | N2 | H15 | 120.3° | 119.9° |
| C12 | C13 | H16 | H15 | 119.1° | 120.3° |
| C13 | C12 | H13 | H14 | 120.3° | 120.4° |
| N3 | C14 | O4 | C15 | 178.8° | 179.9° |
| N3 | C14 | C15 | C16 | 169.3° | 172.5° |
| N3 | C14 | C15 | O5 | 12.6° | 7.2° |
| C14 | N3 | C11 | H12 | 122.9° | 5.3° |
| C14 | N3 | C11 | H11 | 3.1° | 115.3° |
| C14 | N3 | C12 | H13 | 124.2° | 115.5° |
| C14 | N3 | C12 | H14 | 4.0° | 5.0° |
| O4 | C14 | C15 | C16 | 12.0° | 7.4° |
| O4 | C14 | C15 | O5 | 166.2° | 172.9° |
| C14 | C15 | C16 | O5 | 178.3° | 179.8° |
| C14 | C15 | C16 | C17 | 179.2° | 179.8° |
| C14 | C15 | O5 | C18 | 179.6° | 179.8° |
| C14 | C15 | C16 | H17 | 0.8° | 0.3° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C16 | C15 | O5 | C18 | 1.1° | 0.0° |
| C15 | C16 | C17 | H18 | 179.6° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | O5 | 0.3° | 0.0° |
| C17 | C16 | C15 | O5 | 0.9° | 0.0° |
| C16 | C17 | C18 | H19 | 179.7° | 180.0° |
| C17 | C18 | O5 | H19 | 180.0° | 180.0° |
| C17 | C18 | O5 | C15 | 0.8° | 0.0° |
| C18 | C17 | C16 | H17 | 179.6° | 179.9° |
| O5 | C18 | C17 | H18 | 179.8° | 180.0° |
| C3 | C9 | C8 | C6 | 1.0° | 0.2° |
| C9 | C3 | C4 | H4 | 178.7° | 179.8° |
| C9 | C3 | C2 | H2 | 126.7° | 150.5° |
| C9 | C3 | C2 | H3 | 7.2° | 30.5° |
| C8 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C8 | C9 | H8 | 179.1° | 179.9° |
| C13 | N2 | C10 | H9 | 171.2° | 64.4° |
| C13 | N2 | C10 | H10 | 69.3° | 175.2° |
| N2 | C13 | H16 | H15 | 119.1° | 120.9° |
| N2 | C13 | C12 | H13 | 62.7° | 70.0° |
| N2 | C13 | C12 | H14 | 177.1° | 169.5° |
| O5 | C15 | C16 | H17 | 179.1° | 179.9° |
| C15 | O5 | C18 | H19 | 179.2° | 180.0° |
| H1 | N1 | C2 | H2 | 174.1° | 120.0° |
| H1 | N1 | C2 | H3 | 66.4° | 120.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.0° |
| H9 | C10 | C11 | H12 | 53.9° | 49.4° |
| H9 | C10 | C11 | H11 | 65.9° | 170.0° |
| H10 | C10 | C11 | H12 | 173.3° | 70.9° |
| H10 | C10 | C11 | H11 | 53.5° | 49.7° |
| H16 | C13 | C12 | H13 | 57.6° | 49.4° |
| H16 | C13 | C12 | H14 | 62.6° | 71.0° |
| H15 | C13 | C12 | H13 | 177.0° | 169.8° |
| H15 | C13 | C12 | H14 | 56.8° | 49.3° |
| H18 | C17 | C16 | H17 | 0.4° | 0.1° |
| H18 | C17 | C18 | H19 | 0.3° | 0.0° |
