4EH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7' | N2' | doub | 1.32Å | 1.34Å | Aromatic |
| C7' | C8' | sing | 1.38Å | 1.38Å | Aromatic |
| N2' | C6' | sing | 1.33Å | 1.36Å | Aromatic |
| C8' | N3' | doub | 1.32Å | 1.35Å | Aromatic |
| C6' | S | sing | 1.76Å | 1.71Å | |
| C6' | C9' | doub | 1.39Å | 1.39Å | Aromatic |
| S | C5' | sing | 1.81Å | 1.78Å | |
| N3' | C9' | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.38Å | Aromatic |
| N6 | C6 | sing | 1.39Å | 1.35Å | |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.46Å | Aromatic |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.46Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C9 | sing | 1.46Å | 1.48Å | Aromatic |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | C1' | sing | 1.55Å | 1.53Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| N7 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C2' | N1' | sing | 1.48Å | 1.47Å | |
| C1' | N1' | sing | 1.49Å | 1.48Å | |
| C9 | C8 | doub | 1.35Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| N1' | C10 | sing | 1.47Å | 1.46Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| N7 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C9' | H18 | sing | 1.08Å | 1.08Å | |
| C8' | H19 | sing | 1.08Å | 1.08Å | |
| C7' | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2' | C7' | C8' | 119.4° | 120.1° |
| C7' | N2' | C6' | 122.1° | 119.9° |
| N2' | C7' | H20 | 120.3° | 119.9° |
| C7' | C8' | N3' | 118.8° | 120.2° |
| C7' | C8' | H19 | 120.6° | 119.9° |
| C8' | C7' | H20 | 120.3° | 120.0° |
| N2' | C6' | S | 118.7° | 120.1° |
| N2' | C6' | C9' | 118.4° | 119.9° |
| C8' | N3' | C9' | 122.4° | 120.1° |
| N3' | C8' | H19 | 120.6° | 119.9° |
| S | C6' | C9' | 122.8° | 120.1° |
| C6' | S | C5' | 113.7° | 103.0° |
| C6' | C9' | N3' | 118.9° | 119.9° |
| C6' | C9' | H18 | 120.6° | 120.1° |
| S | C5' | C4' | 113.8° | 109.5° |
| S | C5' | H4 | 108.4° | 109.4° |
| S | C5' | H5 | 108.4° | 109.5° |
| N3' | C9' | H18 | 120.6° | 120.1° |
| C2 | N1 | C6 | 121.7° | 121.3° |
| N1 | C2 | N3 | 123.2° | 122.4° |
| N1 | C2 | H13 | 118.4° | 118.8° |
| N1 | C6 | N6 | 122.7° | 120.7° |
| N1 | C6 | C5 | 118.2° | 118.6° |
| N6 | C6 | C5 | 119.0° | 120.7° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C2 | N3 | C4 | 118.5° | 120.4° |
| N3 | C2 | H13 | 118.4° | 118.8° |
| C6 | C5 | C4 | 115.7° | 118.1° |
| C6 | C5 | N7 | 136.4° | 134.6° |
| C5' | C4' | C3' | 116.6° | 110.7° |
| C5' | C4' | C1' | 106.8° | 110.7° |
| C5' | C4' | H3 | 109.9° | 110.8° |
| C4' | C5' | H4 | 108.4° | 109.5° |
| C4' | C5' | H5 | 108.4° | 109.5° |
| N3 | C4 | C5 | 122.6° | 119.2° |
| N3 | C4 | C9 | 131.4° | 134.9° |
| C4 | C5 | N7 | 107.9° | 107.3° |
| C5 | C4 | C9 | 106.0° | 106.0° |
| C5 | N7 | C8 | 110.6° | 109.8° |
| C5 | N7 | H15 | 124.7° | 125.1° |
| C4 | C9 | C8 | 104.1° | 107.0° |
| C4 | C9 | C10 | 131.2° | 126.5° |
| C3' | C4' | C1' | 103.5° | 102.9° |
| C4' | C3' | C2' | 105.2° | 105.1° |
| C4' | C3' | O3' | 109.4° | 110.3° |
| C4' | C3' | H2 | 111.0° | 110.4° |
| C3' | C4' | H3 | 110.0° | 110.7° |
| C4' | C1' | N1' | 106.3° | 103.2° |
| C1' | C4' | H3 | 109.8° | 110.7° |
| C4' | C1' | H9 | 110.3° | 110.7° |
| C4' | C1' | H10 | 110.3° | 110.7° |
| C2' | C3' | O3' | 107.6° | 110.3° |
| C3' | C2' | N1' | 100.9° | 107.1° |
| C2' | C3' | H2 | 111.0° | 110.3° |
| C3' | C2' | H6 | 111.6° | 109.9° |
| C3' | C2' | H7 | 111.6° | 109.9° |
| C3' | O3' | H1 | 109.5° | 114.0° |
| O3' | C3' | H2 | 112.4° | 110.3° |
| N7 | C8 | C9 | 111.4° | 109.9° |
| N7 | C8 | H14 | 124.3° | 125.0° |
| C8 | N7 | H15 | 124.7° | 125.1° |
| C2' | N1' | C1' | 108.5° | 105.8° |
| C2' | N1' | C10 | 113.5° | 111.0° |
| N1' | C2' | H6 | 111.6° | 109.9° |
| N1' | C2' | H7 | 111.6° | 109.9° |
| C1' | N1' | C10 | 111.9° | 111.0° |
| N1' | C1' | H9 | 110.3° | 110.7° |
| N1' | C1' | H10 | 110.3° | 110.7° |
| C8 | C9 | C10 | 124.5° | 126.5° |
| C9 | C8 | H14 | 124.3° | 125.0° |
| C9 | C10 | N1' | 123.0° | 109.5° |
| C9 | C10 | H11 | 106.0° | 109.5° |
| C9 | C10 | H12 | 106.0° | 109.5° |
| N1' | C10 | H11 | 106.0° | 109.5° |
| N1' | C10 | H12 | 106.0° | 109.5° |
| H4 | C5' | H5 | 109.5° | 109.4° |
| H6 | C2' | H7 | 109.5° | 110.1° |
| H9 | C1' | H10 | 109.5° | 110.7° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H16 | N6 | H17 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2' | C7' | C8' | H20 | 180.0° | 179.4° |
| N2' | C7' | C8' | N3' | 0.4° | 0.3° |
| C7' | N2' | C6' | S | 179.3° | 179.7° |
| C7' | N2' | C6' | C9' | 1.0° | 0.6° |
| N2' | C7' | C8' | H19 | 179.6° | 179.7° |
| C8' | C7' | N2' | C6' | 1.0° | 0.6° |
| C7' | C8' | N3' | H19 | 180.0° | 180.0° |
| C7' | C8' | N3' | C9' | 0.2° | 0.1° |
| N2' | C6' | S | C9' | 179.7° | 179.7° |
| N2' | C6' | S | C5' | 178.8° | 0.3° |
| N2' | C6' | C9' | N3' | 0.3° | 0.3° |
| N2' | C6' | C9' | H18 | 179.6° | 179.8° |
| C6' | N2' | C7' | H20 | 179.0° | 180.0° |
| C8' | N3' | C9' | C6' | 0.2° | 0.1° |
| C8' | N3' | C9' | H18 | 179.8° | 180.0° |
| N3' | C8' | C7' | H20 | 179.6° | 179.7° |
| S | C6' | C9' | N3' | 180.0° | 180.0° |
| C6' | S | C5' | C4' | 87.0° | 180.0° |
| C6' | S | C5' | H4 | 33.7° | 60.0° |
| C6' | S | C5' | H5 | 152.4° | 60.0° |
| S | C6' | C9' | H18 | 0.0° | 0.1° |
| C9' | C6' | S | C5' | 1.5° | 180.0° |
| C6' | C9' | N3' | H18 | 180.0° | 179.9° |
| S | C5' | C4' | H4 | 120.6° | 120.0° |
| S | C5' | C4' | H5 | 120.6° | 120.0° |
| S | C5' | C4' | C3' | 73.1° | 175.0° |
| S | C5' | C4' | C1' | 171.9° | 71.5° |
| S | C5' | C4' | H3 | 52.9° | 51.7° |
| S | C5' | H4 | H5 | 118.0° | 119.9° |
| C9' | N3' | C8' | H19 | 179.8° | 180.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| N1 | C2 | N3 | H13 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| N1 | C2 | N3 | C4 | 1.0° | 0.0° |
| N1 | C6 | N6 | C5 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.1° | 179.6° |
| C6 | N1 | C2 | H13 | 179.0° | 180.0° |
| N1 | C6 | N6 | H16 | 0.0° | 180.0° |
| N1 | C6 | N6 | H17 | 120.0° | 0.0° |
| N6 | C6 | C5 | C4 | 179.6° | 180.0° |
| N6 | C6 | C5 | N7 | 0.4° | 0.4° |
| C6 | N6 | H16 | H17 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.1° |
| C2 | N3 | C4 | C9 | 178.2° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C6 | C5 | C4 | N7 | 179.4° | 179.7° |
| C6 | C5 | C4 | C9 | 178.3° | 180.0° |
| C6 | C5 | N7 | C8 | 179.0° | 179.9° |
| C6 | C5 | N7 | H15 | 1.0° | 0.5° |
| C5 | C6 | N6 | H16 | 179.5° | 0.1° |
| C5 | C6 | N6 | H17 | 60.5° | 180.0° |
| C5' | C4' | C3' | C1' | 116.8° | 118.3° |
| C5' | C4' | C3' | H3 | 125.9° | 123.3° |
| C5' | C4' | C1' | H3 | 119.1° | 123.3° |
| C5' | C4' | C3' | C2' | 87.2° | 140.3° |
| C5' | C4' | C3' | O3' | 157.5° | 100.8° |
| C5' | C4' | C1' | N1' | 115.5° | 155.8° |
| C5' | C4' | C3' | H2 | 32.9° | 21.4° |
| C4' | C5' | H4 | H5 | 118.0° | 120.0° |
| C5' | C4' | C1' | H9 | 125.0° | 85.8° |
| C5' | C4' | C1' | H10 | 4.0° | 37.3° |
| N3 | C4 | C5 | C9 | 178.1° | 179.9° |
| N3 | C4 | C5 | N7 | 179.3° | 179.7° |
| N3 | C4 | C9 | C8 | 179.5° | 180.0° |
| N3 | C4 | C9 | C10 | 6.3° | 0.2° |
| C4 | N3 | C2 | H13 | 179.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.5° |
| C5 | C4 | C9 | C8 | 1.6° | 0.1° |
| C5 | C4 | C9 | C10 | 175.8° | 179.7° |
| C4 | C5 | N7 | H15 | 179.8° | 180.0° |
| N7 | C5 | C4 | C9 | 1.2° | 0.3° |
| C5 | N7 | C8 | H15 | 180.0° | 179.5° |
| C5 | N7 | C8 | C9 | 0.9° | 0.5° |
| C5 | N7 | C8 | H14 | 179.1° | 179.4° |
| C4 | C9 | C8 | N7 | 1.6° | 0.2° |
| C4 | C9 | C8 | C10 | 174.7° | 179.8° |
| C4 | C9 | C10 | N1' | 71.6° | 80.3° |
| C4 | C9 | C10 | H11 | 166.5° | 39.8° |
| C4 | C9 | C10 | H12 | 50.2° | 159.7° |
| C4 | C9 | C8 | H14 | 178.4° | 179.7° |
| C3' | C4' | C1' | H3 | 117.4° | 118.4° |
| C4' | C3' | C2' | O3' | 116.5° | 118.9° |
| C4' | C3' | C2' | H2 | 120.2° | 119.0° |
| C4' | C3' | O3' | H2 | 123.8° | 122.2° |
| C4' | C3' | C2' | N1' | 39.6° | 1.2° |
| C3' | C4' | C1' | N1' | 8.1° | 37.4° |
| C4' | C3' | O3' | H1 | 180.0° | 177.2° |
| C3' | C4' | C5' | H4 | 166.3° | 55.0° |
| C3' | C4' | C5' | H5 | 47.6° | 65.0° |
| C4' | C3' | C2' | H6 | 79.0° | 118.1° |
| C4' | C3' | C2' | H7 | 158.2° | 120.6° |
| C3' | C4' | C1' | H9 | 111.4° | 155.9° |
| C3' | C4' | C1' | H10 | 127.6° | 81.0° |
| C1' | C4' | C3' | C2' | 29.6° | 21.9° |
| C1' | C4' | C3' | O3' | 85.6° | 140.8° |
| C4' | C1' | N1' | C2' | 17.3° | 39.2° |
| C4' | C1' | N1' | H9 | 119.5° | 118.5° |
| C4' | C1' | N1' | H10 | 119.5° | 118.4° |
| C4' | C1' | N1' | C10 | 143.3° | 159.7° |
| C1' | C4' | C3' | H2 | 149.7° | 97.0° |
| C1' | C4' | C5' | H4 | 51.3° | 168.5° |
| C1' | C4' | C5' | H5 | 67.5° | 48.5° |
| C4' | C1' | H9 | H10 | 121.5° | 123.1° |
| C2' | C3' | O3' | H2 | 122.5° | 122.1° |
| C3' | C2' | N1' | H6 | 118.6° | 119.3° |
| C3' | C2' | N1' | H7 | 118.6° | 119.3° |
| C3' | C2' | N1' | C1' | 35.0° | 25.3° |
| C3' | C2' | N1' | C10 | 160.1° | 145.9° |
| C2' | C3' | O3' | H1 | 66.3° | 61.5° |
| C2' | C3' | C4' | H3 | 146.8° | 96.4° |
| C3' | C2' | H6 | H7 | 124.0° | 121.1° |
| O3' | C3' | C2' | N1' | 76.9° | 117.7° |
| O3' | C3' | C4' | H3 | 31.6° | 22.5° |
| O3' | C3' | C2' | H6 | 164.5° | 123.0° |
| O3' | C3' | C2' | H7 | 41.7° | 1.7° |
| N7 | C8 | C9 | H14 | 180.0° | 179.9° |
| N7 | C8 | C9 | C10 | 176.3° | 180.0° |
| C2' | N1' | C1' | C10 | 126.1° | 120.5° |
| C2' | N1' | C10 | C9 | 72.3° | 69.9° |
| N1' | C2' | C3' | H2 | 159.8° | 120.2° |
| N1' | C2' | H6 | H7 | 124.0° | 121.3° |
| C2' | N1' | C1' | H9 | 136.8° | 157.7° |
| C2' | N1' | C1' | H10 | 102.3° | 79.3° |
| C2' | N1' | C10 | H11 | 165.9° | 170.1° |
| C2' | N1' | C10 | H12 | 49.6° | 50.1° |
| C1' | N1' | C10 | C9 | 51.0° | 172.7° |
| N1' | C1' | C4' | H3 | 125.5° | 81.0° |
| C1' | N1' | C2' | H6 | 83.6° | 94.0° |
| C1' | N1' | C2' | H7 | 153.6° | 144.6° |
| N1' | C1' | H9 | H10 | 121.4° | 123.1° |
| C1' | N1' | C10 | H11 | 70.9° | 52.7° |
| C1' | N1' | C10 | H12 | 172.8° | 67.3° |
| C8 | C9 | C10 | N1' | 115.2° | 100.0° |
| C8 | C9 | C10 | H11 | 6.7° | 140.0° |
| C8 | C9 | C10 | H12 | 122.9° | 20.0° |
| C9 | C8 | N7 | H15 | 179.1° | 179.9° |
| C9 | C10 | N1' | H11 | 121.8° | 120.1° |
| C9 | C10 | N1' | H12 | 121.9° | 120.0° |
| C9 | C10 | H11 | H12 | 113.9° | 120.0° |
| C10 | C9 | C8 | H14 | 3.7° | 0.1° |
| C10 | N1' | C2' | H6 | 41.5° | 26.5° |
| C10 | N1' | C2' | H7 | 81.3° | 94.8° |
| C10 | N1' | C1' | H9 | 97.2° | 81.8° |
| C10 | N1' | C1' | H10 | 23.8° | 41.3° |
| N1' | C10 | H11 | H12 | 113.9° | 120.0° |
| H1 | O3' | C3' | H2 | 56.2° | 60.6° |
| H2 | C3' | C4' | H3 | 93.0° | 144.7° |
| H2 | C3' | C2' | H6 | 41.2° | 0.8° |
| H2 | C3' | C2' | H7 | 81.6° | 120.5° |
| H3 | C4' | C5' | H4 | 67.7° | 68.2° |
| H3 | C4' | C5' | H5 | 173.5° | 171.7° |
| H3 | C4' | C1' | H9 | 6.0° | 37.5° |
| H3 | C4' | C1' | H10 | 115.1° | 160.6° |
| H14 | C8 | N7 | H15 | 0.9° | 0.0° |
| H19 | C8' | C7' | H20 | 0.4° | 0.3° |
