H5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C4 | C2 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.34Å | 1.35Å | Aromatic |
| C5 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | S7 | sing | 1.76Å | 1.75Å | Aromatic |
| N19 | C8 | doub | 1.29Å | 1.28Å | Aromatic |
| O18 | C17 | doub | 1.21Å | 1.20Å | |
| C16 | C14 | sing | 1.52Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C8 | S7 | sing | 1.71Å | 1.70Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C17 | C14 | sing | 1.51Å | 1.50Å | |
| C17 | N10 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | sing | 1.52Å | 1.51Å | |
| C14 | N13 | sing | 1.47Å | 1.45Å | |
| C9 | N10 | sing | 1.46Å | 1.47Å | |
| N10 | C11 | sing | 1.34Å | 1.34Å | |
| N13 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C4 | 108.9° | 109.5° |
| C3 | C2 | C1 | 110.3° | 109.5° |
| C3 | C2 | C5 | 106.9° | 109.4° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C4 | C2 | C1 | 109.3° | 109.5° |
| C4 | C2 | C5 | 114.9° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| C1 | C2 | C5 | 106.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | C5 | C6 | 128.1° | 122.8° |
| C2 | C5 | N19 | 120.5° | 122.7° |
| C6 | C5 | N19 | 111.4° | 114.5° |
| C5 | C6 | S7 | 109.8° | 107.9° |
| C5 | C6 | H10 | 125.1° | 126.1° |
| C5 | N19 | C8 | 118.6° | 117.1° |
| C6 | S7 | C8 | 89.6° | 90.3° |
| S7 | C6 | H10 | 125.1° | 126.0° |
| N19 | C8 | S7 | 110.5° | 110.2° |
| N19 | C8 | C9 | 125.0° | 125.0° |
| O18 | C17 | C14 | 125.6° | 127.3° |
| O18 | C17 | N10 | 128.5° | 127.4° |
| C14 | C16 | C15 | 59.4° | 59.8° |
| C16 | C14 | C17 | 123.8° | 121.9° |
| C16 | C14 | C15 | 60.8° | 60.4° |
| C16 | C14 | N13 | 121.5° | 122.0° |
| C14 | C16 | H14 | 120.1° | 117.5° |
| C14 | C16 | H15 | 120.1° | 117.5° |
| C16 | C15 | C14 | 59.8° | 59.8° |
| C16 | C15 | H12 | 120.0° | 117.5° |
| C16 | C15 | H13 | 120.0° | 117.5° |
| C15 | C16 | H14 | 120.1° | 117.5° |
| C15 | C16 | H15 | 120.1° | 117.5° |
| S7 | C8 | C9 | 124.4° | 124.9° |
| C8 | C9 | N10 | 112.3° | 109.5° |
| C8 | C9 | H16 | 108.8° | 109.4° |
| C8 | C9 | H17 | 108.8° | 109.4° |
| C14 | C17 | N10 | 105.9° | 105.3° |
| C17 | C14 | C15 | 121.5° | 121.9° |
| C17 | C14 | N13 | 103.6° | 104.5° |
| C17 | N10 | C9 | 124.2° | 124.2° |
| C17 | N10 | C11 | 110.9° | 111.6° |
| C15 | C14 | N13 | 122.1° | 122.0° |
| C14 | C15 | H12 | 120.0° | 117.6° |
| C14 | C15 | H13 | 120.0° | 117.6° |
| C14 | N13 | C11 | 107.7° | 106.2° |
| C14 | N13 | H11 | 126.1° | 126.9° |
| C9 | N10 | C11 | 124.9° | 124.2° |
| N10 | C9 | H16 | 108.7° | 109.5° |
| N10 | C9 | H17 | 108.8° | 109.5° |
| N10 | C11 | N13 | 111.9° | 112.4° |
| N10 | C11 | O12 | 126.6° | 123.8° |
| N13 | C11 | O12 | 121.6° | 123.8° |
| C11 | N13 | H11 | 126.2° | 126.9° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H9 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 115.5° |
| H14 | C16 | H15 | 109.4° | 115.6° |
| H16 | C9 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C4 | C1 | 120.6° | 120.0° |
| C3 | C2 | C4 | C5 | 119.9° | 120.0° |
| C3 | C2 | C1 | C5 | 115.6° | 120.0° |
| C3 | C2 | C5 | C6 | 125.1° | 45.0° |
| C3 | C2 | C5 | N19 | 55.4° | 134.7° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 180.0° | 180.0° |
| C3 | C2 | C4 | H8 | 60.0° | 60.0° |
| C3 | C2 | C4 | H9 | 60.0° | 60.0° |
| C4 | C2 | C1 | C5 | 124.7° | 120.0° |
| C4 | C2 | C5 | C6 | 4.1° | 165.0° |
| C4 | C2 | C5 | N19 | 176.3° | 14.8° |
| C4 | C2 | C1 | H1 | 60.3° | 60.0° |
| C4 | C2 | C1 | H2 | 179.7° | 60.0° |
| C4 | C2 | C1 | H3 | 59.7° | 180.0° |
| C4 | C2 | C3 | H4 | 180.0° | 60.0° |
| C4 | C2 | C3 | H5 | 60.0° | 60.0° |
| C4 | C2 | C3 | H6 | 60.0° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | C5 | C6 | 117.0° | 75.0° |
| C1 | C2 | C5 | N19 | 62.5° | 105.3° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 60.0° | 60.0° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 59.9° |
| C1 | C2 | C4 | H7 | 59.4° | 60.0° |
| C1 | C2 | C4 | H8 | 60.6° | 180.0° |
| C1 | C2 | C4 | H9 | 179.4° | 60.0° |
| C2 | C5 | C6 | N19 | 179.6° | 179.8° |
| C2 | C5 | C6 | S7 | 179.4° | 180.0° |
| C2 | C5 | N19 | C8 | 179.9° | 179.7° |
| C5 | C2 | C1 | H1 | 64.4° | 60.0° |
| C5 | C2 | C1 | H2 | 55.6° | 180.0° |
| C5 | C2 | C1 | H3 | 175.6° | 60.0° |
| C5 | C2 | C3 | H4 | 55.3° | 180.0° |
| C5 | C2 | C3 | H5 | 64.7° | 60.0° |
| C5 | C2 | C3 | H6 | 175.3° | 60.0° |
| C5 | C2 | C4 | H7 | 60.1° | 60.0° |
| C5 | C2 | C4 | H8 | 179.9° | 60.0° |
| C5 | C2 | C4 | H9 | 59.9° | 179.9° |
| C2 | C5 | C6 | H10 | 0.6° | 0.0° |
| C5 | C6 | S7 | H10 | 180.0° | 180.0° |
| C6 | C5 | N19 | C8 | 0.3° | 0.5° |
| C5 | C6 | S7 | C8 | 0.5° | 0.0° |
| N19 | C5 | C6 | S7 | 0.2° | 0.2° |
| C5 | N19 | C8 | S7 | 0.7° | 0.5° |
| C5 | N19 | C8 | C9 | 179.6° | 179.8° |
| N19 | C5 | C6 | H10 | 179.8° | 179.8° |
| C6 | S7 | C8 | N19 | 0.6° | 0.3° |
| C6 | S7 | C8 | C9 | 179.5° | 180.0° |
| N19 | C8 | S7 | C9 | 178.9° | 179.7° |
| N19 | C8 | C9 | N10 | 141.4° | 90.3° |
| N19 | C8 | C9 | H16 | 20.9° | 149.7° |
| N19 | C8 | C9 | H17 | 98.2° | 29.7° |
| O18 | C17 | C14 | C16 | 35.7° | 36.2° |
| O18 | C17 | C14 | N10 | 179.7° | 179.9° |
| O18 | C17 | C14 | C15 | 38.2° | 36.4° |
| O18 | C17 | C14 | N13 | 179.8° | 179.9° |
| O18 | C17 | N10 | C9 | 1.6° | 0.2° |
| O18 | C17 | N10 | C11 | 179.5° | 179.9° |
| C14 | C16 | C15 | H14 | 109.3° | 107.4° |
| C14 | C16 | C15 | H15 | 109.3° | 107.4° |
| C16 | C14 | C17 | C15 | 73.8° | 72.7° |
| C16 | C14 | C17 | N13 | 144.1° | 143.7° |
| C16 | C14 | C17 | N10 | 144.0° | 143.7° |
| C16 | C14 | C15 | N13 | 110.9° | 111.4° |
| C16 | C14 | N13 | C11 | 144.8° | 143.6° |
| C16 | C14 | N13 | H11 | 35.2° | 36.4° |
| C14 | C16 | C15 | H12 | 109.4° | 107.5° |
| C14 | C16 | C15 | H13 | 109.4° | 107.5° |
| C14 | C16 | H14 | H15 | 145.0° | 145.7° |
| C16 | C15 | H12 | H13 | 144.8° | 145.7° |
| C15 | C16 | H14 | H15 | 145.1° | 145.9° |
| S7 | C8 | C9 | N10 | 39.9° | 90.0° |
| C8 | S7 | C6 | H10 | 179.5° | 180.0° |
| S7 | C8 | C9 | H16 | 160.3° | 29.9° |
| S7 | C8 | C9 | H17 | 80.5° | 149.9° |
| C8 | C9 | N10 | C17 | 96.7° | 90.2° |
| C8 | C9 | N10 | H16 | 120.4° | 120.0° |
| C8 | C9 | N10 | H17 | 120.4° | 120.0° |
| C8 | C9 | N10 | C11 | 84.6° | 90.0° |
| C8 | C9 | H16 | H17 | 118.7° | 120.0° |
| C17 | C14 | C15 | N13 | 135.2° | 137.4° |
| C14 | C17 | N10 | C9 | 178.7° | 179.7° |
| C14 | C17 | N10 | C11 | 0.2° | 0.1° |
| C17 | C14 | N13 | C11 | 0.3° | 0.0° |
| C17 | C14 | N13 | H11 | 179.7° | 179.9° |
| C17 | C14 | C15 | H12 | 136.7° | 141.3° |
| C17 | C14 | C15 | H13 | 4.5° | 3.9° |
| C17 | C14 | C16 | H14 | 140.5° | 3.8° |
| C17 | C14 | C16 | H15 | 0.9° | 141.3° |
| N10 | C17 | C14 | C15 | 142.1° | 143.7° |
| N10 | C17 | C14 | N13 | 0.0° | 0.0° |
| C17 | N10 | C9 | C11 | 178.7° | 179.7° |
| C17 | N10 | C11 | N13 | 0.4° | 0.0° |
| C17 | N10 | C11 | O12 | 179.8° | 179.9° |
| C17 | N10 | C9 | H16 | 23.8° | 149.8° |
| C17 | N10 | C9 | H17 | 142.9° | 29.8° |
| C15 | C14 | N13 | C11 | 142.1° | 143.6° |
| C15 | C14 | N13 | H11 | 37.9° | 36.4° |
| C14 | C15 | H12 | H13 | 144.9° | 145.9° |
| C14 | N13 | C11 | N10 | 0.4° | 0.0° |
| C14 | N13 | C11 | H11 | 180.0° | 180.0° |
| C14 | N13 | C11 | O12 | 179.8° | 179.9° |
| N13 | C14 | C15 | H12 | 1.5° | 4.0° |
| N13 | C14 | C15 | H13 | 139.7° | 141.2° |
| N13 | C14 | C16 | H14 | 2.4° | 141.2° |
| N13 | C14 | C16 | H15 | 138.9° | 3.9° |
| C9 | N10 | C11 | N13 | 178.4° | 179.7° |
| C9 | N10 | C11 | O12 | 1.3° | 0.3° |
| N10 | C9 | H16 | H17 | 118.7° | 120.0° |
| N10 | C11 | N13 | O12 | 179.8° | 180.0° |
| N10 | C11 | N13 | H11 | 179.6° | 180.0° |
| C11 | N10 | C9 | H16 | 155.0° | 29.9° |
| C11 | N10 | C9 | H17 | 35.8° | 150.0° |
| O12 | C11 | N13 | H11 | 0.2° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 119.9° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H12 | C15 | C16 | H14 | 0.1° | 145.1° |
| H12 | C15 | C16 | H15 | 141.3° | 0.1° |
| H13 | C15 | C16 | H14 | 141.2° | 0.1° |
| H13 | C15 | C16 | H15 | 0.1° | 145.1° |
