E5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C15 | sing | 1.34Å | 1.37Å | Aromatic |
| N5 | C14 | doub | 1.30Å | 1.34Å | Aromatic |
| C15 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| C14 | N4 | sing | 1.35Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | N3 | doub | 1.30Å | 1.46Å | |
| N3 | C10 | sing | 1.35Å | 1.35Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.57Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | O3 | doub | 1.22Å | 1.23Å | |
| C7 | C4 | sing | 1.48Å | 1.50Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.77Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | N1 | sing | 1.66Å | 1.61Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N5 | C14 | 107.1° | 109.3° |
| N5 | C15 | C13 | 106.8° | 108.0° |
| N5 | C15 | H16 | 126.6° | 126.0° |
| N5 | C14 | N4 | 111.7° | 108.7° |
| N5 | C14 | H15 | 124.2° | 125.7° |
| C15 | C13 | C12 | 129.3° | 126.6° |
| C15 | C13 | N4 | 108.5° | 106.8° |
| C13 | C15 | H16 | 126.6° | 126.0° |
| C14 | N4 | C13 | 105.9° | 107.2° |
| N4 | C14 | H15 | 124.2° | 125.6° |
| C14 | N4 | H17 | 127.0° | 126.4° |
| C12 | C13 | N4 | 122.2° | 126.6° |
| C13 | C12 | C11 | 114.5° | 109.5° |
| C13 | C12 | H13 | 108.2° | 109.4° |
| C13 | C12 | H14 | 108.2° | 109.4° |
| C13 | N4 | H17 | 127.1° | 126.4° |
| C12 | C11 | N3 | 115.9° | 120.0° |
| C12 | C11 | H12 | 122.1° | 120.0° |
| C11 | C12 | H13 | 108.2° | 109.5° |
| C11 | C12 | H14 | 108.2° | 109.5° |
| C11 | N3 | C10 | 121.4° | 120.0° |
| N3 | C11 | H12 | 122.1° | 120.0° |
| N3 | C10 | O4 | 119.1° | 120.0° |
| N3 | C10 | C9 | 121.8° | 120.0° |
| O4 | C10 | C9 | 119.1° | 120.0° |
| C10 | C9 | C8 | 114.2° | 109.5° |
| C10 | C9 | H10 | 108.3° | 109.5° |
| C10 | C9 | H11 | 108.3° | 109.4° |
| C9 | C8 | N2 | 114.3° | 109.5° |
| C9 | C8 | H8 | 108.3° | 109.5° |
| C9 | C8 | H9 | 108.3° | 109.5° |
| C8 | C9 | H10 | 108.3° | 109.5° |
| C8 | C9 | H11 | 108.3° | 109.4° |
| C8 | N2 | C7 | 125.2° | 120.0° |
| C8 | N2 | H7 | 117.4° | 120.0° |
| N2 | C8 | H8 | 108.2° | 109.4° |
| N2 | C8 | H9 | 108.3° | 109.4° |
| N2 | C7 | O3 | 122.7° | 120.0° |
| N2 | C7 | C4 | 116.5° | 120.0° |
| C7 | N2 | H7 | 117.4° | 120.0° |
| C6 | C5 | C4 | 121.7° | 119.9° |
| C5 | C6 | C1 | 119.0° | 120.2° |
| C6 | C5 | H5 | 119.2° | 120.1° |
| C5 | C6 | H6 | 120.5° | 119.9° |
| C5 | C4 | C7 | 120.4° | 120.2° |
| C5 | C4 | C3 | 118.7° | 119.6° |
| C4 | C5 | H5 | 119.1° | 120.1° |
| O3 | C7 | C4 | 120.7° | 120.0° |
| C7 | C4 | C3 | 120.8° | 120.2° |
| C6 | C1 | C2 | 119.8° | 120.3° |
| C6 | C1 | S1 | 120.2° | 119.9° |
| C1 | C6 | H6 | 120.5° | 119.9° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C4 | C3 | H4 | 120.0° | 120.0° |
| O2 | S1 | C1 | 107.8° | 106.4° |
| O2 | S1 | O1 | 118.6° | 123.1° |
| O2 | S1 | N1 | 105.2° | 106.4° |
| C2 | C1 | S1 | 120.0° | 119.8° |
| C1 | C2 | C3 | 120.8° | 120.1° |
| C1 | C2 | H3 | 119.6° | 119.9° |
| C1 | S1 | O1 | 107.1° | 106.4° |
| C1 | S1 | N1 | 108.6° | 107.2° |
| C3 | C2 | H3 | 119.6° | 119.9° |
| C2 | C3 | H4 | 120.0° | 120.1° |
| O1 | S1 | N1 | 109.2° | 106.4° |
| S1 | N1 | H1 | 109.5° | 120.0° |
| S1 | N1 | H2 | 109.5° | 120.0° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C15 | C13 | H16 | 180.0° | 180.0° |
| C15 | N5 | C14 | N4 | 0.3° | 0.0° |
| N5 | C15 | C13 | C12 | 178.4° | 180.0° |
| N5 | C15 | C13 | N4 | 0.2° | 0.3° |
| C15 | N5 | C14 | H15 | 179.7° | 179.8° |
| C14 | N5 | C15 | C13 | 0.3° | 0.1° |
| N5 | C14 | N4 | H15 | 180.0° | 179.7° |
| N5 | C14 | N4 | C13 | 0.2° | 0.2° |
| C14 | N5 | C15 | H16 | 179.7° | 179.8° |
| N5 | C14 | N4 | H17 | 179.8° | 179.8° |
| C15 | C13 | N4 | C14 | 0.1° | 0.3° |
| C15 | C13 | C12 | N4 | 177.9° | 179.7° |
| C15 | C13 | C12 | C11 | 157.1° | 84.7° |
| C15 | C13 | C12 | H13 | 36.3° | 155.3° |
| C15 | C13 | C12 | H14 | 82.2° | 35.3° |
| C15 | C13 | N4 | H17 | 180.0° | 179.8° |
| C14 | N4 | C13 | C12 | 178.4° | 180.0° |
| C14 | N4 | C13 | H17 | 180.0° | 180.0° |
| C13 | C12 | C11 | H13 | 120.8° | 120.0° |
| C13 | C12 | C11 | H14 | 120.7° | 119.9° |
| C13 | C12 | C11 | N3 | 90.5° | 125.0° |
| C13 | C12 | C11 | H12 | 89.5° | 55.0° |
| C13 | C12 | H13 | H14 | 117.7° | 120.0° |
| C12 | C13 | C15 | H16 | 1.6° | 0.0° |
| C12 | C13 | N4 | H17 | 1.7° | 0.0° |
| N4 | C13 | C12 | C11 | 25.0° | 95.0° |
| N4 | C13 | C12 | H13 | 145.7° | 25.0° |
| N4 | C13 | C12 | H14 | 95.7° | 145.0° |
| C13 | N4 | C14 | H15 | 179.8° | 179.9° |
| N4 | C13 | C15 | H16 | 179.8° | 179.7° |
| C12 | C11 | N3 | H12 | 180.0° | 180.0° |
| C12 | C11 | N3 | C10 | 178.6° | 180.0° |
| C11 | C12 | H13 | H14 | 117.7° | 120.0° |
| C11 | N3 | C10 | O4 | 13.3° | 0.0° |
| C11 | N3 | C10 | C9 | 168.2° | 180.0° |
| N3 | C11 | C12 | H13 | 148.8° | 115.0° |
| N3 | C11 | C12 | H14 | 30.3° | 5.1° |
| N3 | C10 | O4 | C9 | 178.5° | 179.9° |
| N3 | C10 | C9 | C8 | 109.6° | 180.0° |
| N3 | C10 | C9 | H10 | 11.1° | 59.9° |
| N3 | C10 | C9 | H11 | 129.8° | 60.1° |
| C10 | N3 | C11 | H12 | 1.4° | 0.0° |
| O4 | C10 | C9 | C8 | 72.0° | 0.1° |
| O4 | C10 | C9 | H10 | 167.3° | 120.0° |
| O4 | C10 | C9 | H11 | 48.7° | 120.0° |
| C10 | C9 | C8 | H10 | 120.7° | 120.1° |
| C10 | C9 | C8 | H11 | 120.7° | 119.9° |
| C10 | C9 | C8 | N2 | 161.0° | 180.0° |
| C10 | C9 | C8 | H8 | 78.3° | 60.0° |
| C10 | C9 | C8 | H9 | 40.3° | 60.1° |
| C10 | C9 | H10 | H11 | 117.9° | 120.0° |
| C9 | C8 | N2 | H8 | 120.7° | 120.0° |
| C9 | C8 | N2 | H9 | 120.7° | 120.0° |
| C9 | C8 | N2 | C7 | 130.8° | 180.0° |
| C9 | C8 | N2 | H7 | 49.2° | 0.1° |
| C9 | C8 | H8 | H9 | 117.8° | 120.0° |
| C8 | C9 | H10 | H11 | 117.8° | 119.9° |
| C8 | N2 | C7 | H7 | 180.0° | 179.9° |
| C8 | N2 | C7 | O3 | 49.4° | 0.1° |
| C8 | N2 | C7 | C4 | 128.9° | 180.0° |
| N2 | C8 | H8 | H9 | 117.8° | 119.9° |
| N2 | C8 | C9 | H10 | 40.3° | 59.9° |
| N2 | C8 | C9 | H11 | 78.3° | 60.1° |
| N2 | C7 | C4 | C5 | 5.3° | 0.0° |
| N2 | C7 | O3 | C4 | 178.2° | 180.0° |
| N2 | C7 | C4 | C3 | 172.1° | 180.0° |
| C7 | N2 | C8 | H8 | 10.1° | 60.0° |
| C7 | N2 | C8 | H9 | 108.5° | 60.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.6° |
| C6 | C5 | C4 | C7 | 178.8° | 179.8° |
| C5 | C6 | C1 | H6 | 180.0° | 179.4° |
| C6 | C5 | C4 | C3 | 1.3° | 0.2° |
| C5 | C6 | C1 | C2 | 0.4° | 0.6° |
| C5 | C6 | C1 | S1 | 176.9° | 179.7° |
| C5 | C4 | C7 | O3 | 176.4° | 180.0° |
| C5 | C4 | C7 | C3 | 177.4° | 180.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.5° |
| C5 | C4 | C3 | C2 | 1.7° | 0.0° |
| C5 | C4 | C3 | H4 | 178.3° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| O3 | C7 | C4 | C3 | 6.2° | 0.0° |
| O3 | C7 | N2 | H7 | 130.6° | 180.0° |
| C7 | C4 | C3 | C2 | 179.2° | 180.0° |
| C7 | C4 | C3 | H4 | 0.9° | 0.0° |
| C7 | C4 | C5 | H5 | 1.3° | 0.2° |
| C4 | C7 | N2 | H7 | 51.2° | 0.0° |
| C6 | C1 | S1 | O2 | 15.7° | 23.2° |
| C6 | C1 | C2 | S1 | 176.5° | 179.7° |
| C6 | C1 | C2 | C3 | 0.9° | 0.4° |
| C6 | C1 | S1 | O1 | 113.0° | 156.2° |
| C6 | C1 | S1 | N1 | 129.2° | 90.3° |
| C6 | C1 | C2 | H3 | 179.1° | 179.7° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| C4 | C3 | C2 | C1 | 1.6° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 178.5° | 180.0° |
| C3 | C4 | C5 | H5 | 178.7° | 179.8° |
| O2 | S1 | C1 | C2 | 167.8° | 156.4° |
| O2 | S1 | C1 | O1 | 128.7° | 132.9° |
| O2 | S1 | C1 | N1 | 113.5° | 113.5° |
| O2 | S1 | O1 | N1 | 120.4° | 123.0° |
| O2 | S1 | N1 | H1 | 180.0° | 126.5° |
| O2 | S1 | N1 | H2 | 60.0° | 53.7° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | S1 | O1 | 63.5° | 23.5° |
| C2 | C1 | S1 | N1 | 54.3° | 90.0° |
| C1 | C2 | C3 | H4 | 178.5° | 179.9° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| S1 | C1 | C2 | C3 | 177.4° | 179.9° |
| C1 | S1 | O1 | N1 | 117.4° | 114.1° |
| C1 | S1 | N1 | H1 | 64.8° | 120.0° |
| C1 | S1 | N1 | H2 | 175.2° | 59.8° |
| S1 | C1 | C2 | H3 | 2.6° | 0.1° |
| S1 | C1 | C6 | H6 | 3.1° | 0.3° |
| O1 | S1 | N1 | H1 | 51.6° | 6.5° |
| O1 | S1 | N1 | H2 | 68.4° | 173.4° |
| S1 | N1 | H1 | H2 | 120.0° | 179.8° |
| H3 | C2 | C3 | H4 | 1.5° | 0.0° |
| H5 | C5 | C6 | H6 | 0.7° | 0.5° |
| H7 | N2 | C8 | H8 | 169.9° | 120.0° |
| H7 | N2 | C8 | H9 | 71.5° | 120.0° |
| H8 | C8 | C9 | H10 | 161.0° | 179.9° |
| H8 | C8 | C9 | H11 | 42.4° | 59.9° |
| H9 | C8 | C9 | H10 | 80.4° | 60.0° |
| H9 | C8 | C9 | H11 | 161.0° | 180.0° |
| H12 | C11 | C12 | H13 | 31.3° | 64.9° |
| H12 | C11 | C12 | H14 | 149.8° | 175.0° |
| H15 | C14 | N4 | H17 | 0.2° | 0.1° |
