53H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | N2 | sing | 1.35Å | 1.35Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C7 | sing | 1.53Å | 1.54Å | |
| C3 | N4 | sing | 1.47Å | 1.51Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C10 | sing | 1.53Å | 1.52Å | |
| C7 | C11 | sing | 1.53Å | 1.53Å | |
| N2 | S1 | sing | 1.66Å | 1.52Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| O2 | C22 | sing | 1.43Å | 1.42Å | |
| S1 | O1A | doub | 1.42Å | 1.43Å | |
| S1 | O2A | doub | 1.42Å | 1.44Å | |
| S1 | O5 | sing | 1.52Å | 1.62Å | |
| O5 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| C24 | O4 | sing | 1.44Å | 1.43Å | |
| C23 | O3 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | sing | 1.55Å | 1.52Å | |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C21 | O4 | sing | 1.44Å | 1.43Å | |
| C21 | N9 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| N4 | HN4A | sing | 1.01Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | N2 | 115.2° | 120.0° |
| C3 | C1 | O1 | 119.7° | 120.0° |
| C1 | C3 | C7 | 116.8° | 109.5° |
| C1 | C3 | N4 | 109.1° | 109.5° |
| C1 | C3 | H3 | 105.4° | 109.5° |
| N2 | C1 | O1 | 125.0° | 120.0° |
| C1 | N2 | S1 | 124.9° | 120.0° |
| C1 | N2 | HN2 | 117.5° | 120.0° |
| N1 | C2 | N3 | 121.3° | 122.4° |
| C2 | N1 | C6 | 120.5° | 121.2° |
| N1 | C2 | H2 | 119.3° | 118.8° |
| C2 | N3 | C4 | 119.5° | 120.7° |
| N3 | C2 | H2 | 119.3° | 118.8° |
| C7 | C3 | N4 | 111.8° | 109.4° |
| C3 | C7 | C9 | 114.2° | 109.5° |
| C3 | C7 | C10 | 107.8° | 109.5° |
| C3 | C7 | C11 | 111.7° | 109.4° |
| C7 | C3 | H3 | 102.3° | 109.5° |
| N4 | C3 | H3 | 111.1° | 109.4° |
| C3 | N4 | HN4 | 109.5° | 111.1° |
| C3 | N4 | HN4A | 109.5° | 111.0° |
| C5 | C4 | N3 | 120.6° | 119.0° |
| C5 | C4 | N9 | 107.3° | 106.0° |
| C4 | C5 | C6 | 118.2° | 118.2° |
| C4 | C5 | N7 | 107.7° | 107.1° |
| N3 | C4 | N9 | 132.1° | 134.9° |
| C4 | N9 | C8 | 108.8° | 107.4° |
| C4 | N9 | C21 | 123.4° | 126.3° |
| C6 | C5 | N7 | 134.1° | 134.7° |
| C5 | C6 | N1 | 119.8° | 118.5° |
| C5 | C6 | N6 | 120.3° | 120.7° |
| C5 | N7 | C8 | 107.1° | 109.4° |
| N1 | C6 | N6 | 119.8° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| C9 | C7 | C10 | 107.5° | 109.5° |
| C9 | C7 | C11 | 108.7° | 109.4° |
| C7 | C9 | H9 | 109.5° | 109.5° |
| C7 | C9 | H9A | 109.5° | 109.5° |
| C7 | C9 | H9B | 109.5° | 109.5° |
| C10 | C7 | C11 | 106.6° | 109.5° |
| C7 | C10 | H10 | 109.5° | 109.5° |
| C7 | C10 | H10A | 109.5° | 109.5° |
| C7 | C10 | H10B | 109.4° | 109.4° |
| C7 | C11 | H11 | 109.5° | 109.5° |
| C7 | C11 | H11A | 109.5° | 109.5° |
| C7 | C11 | H11B | 109.4° | 109.4° |
| N2 | S1 | O1A | 104.5° | 106.4° |
| N2 | S1 | O2A | 111.6° | 106.4° |
| N2 | S1 | O5 | 112.8° | 107.3° |
| S1 | N2 | HN2 | 117.5° | 120.0° |
| N9 | C8 | N7 | 109.1° | 110.0° |
| C8 | N9 | C21 | 127.8° | 126.2° |
| N9 | C8 | H8 | 125.4° | 125.1° |
| N7 | C8 | H8 | 125.5° | 124.9° |
| O2 | C22 | C23 | 115.2° | 110.5° |
| O2 | C22 | C21 | 112.5° | 110.5° |
| C22 | O2 | HO2 | 109.5° | 113.9° |
| O2 | C22 | H22 | 101.5° | 110.5° |
| O1A | S1 | O2A | 111.5° | 123.1° |
| O1A | S1 | O5 | 108.3° | 106.4° |
| O2A | S1 | O5 | 108.1° | 106.4° |
| S1 | O5 | C25 | 115.8° | 114.0° |
| O5 | C25 | C24 | 105.1° | 109.5° |
| O5 | C25 | H25 | 110.9° | 109.5° |
| O5 | C25 | H25A | 111.9° | 109.5° |
| C25 | C24 | C23 | 111.4° | 110.4° |
| C25 | C24 | O4 | 107.0° | 110.4° |
| C24 | C25 | H25 | 110.9° | 109.4° |
| C24 | C25 | H25A | 111.9° | 109.5° |
| C25 | C24 | H24 | 109.1° | 110.3° |
| C23 | C24 | O4 | 107.3° | 104.8° |
| C24 | C23 | O3 | 108.3° | 110.5° |
| C24 | C23 | C22 | 102.9° | 104.1° |
| C23 | C24 | H24 | 108.9° | 110.4° |
| C24 | C23 | H23 | 114.5° | 110.5° |
| C24 | O4 | C21 | 109.6° | 105.3° |
| O4 | C24 | H24 | 113.1° | 110.5° |
| O3 | C23 | C22 | 109.8° | 110.5° |
| O3 | C23 | H23 | 108.1° | 110.5° |
| C23 | O3 | HO3 | 109.5° | 114.0° |
| C23 | C22 | C21 | 103.3° | 104.0° |
| C22 | C23 | H23 | 113.1° | 110.6° |
| C23 | C22 | H22 | 111.0° | 110.6° |
| C22 | C21 | O4 | 103.5° | 104.8° |
| C22 | C21 | N9 | 110.4° | 110.4° |
| C21 | C22 | H22 | 113.8° | 110.6° |
| C22 | C21 | H21 | 113.7° | 110.4° |
| O4 | C21 | N9 | 112.3° | 110.4° |
| O4 | C21 | H21 | 111.9° | 110.4° |
| N9 | C21 | H21 | 105.2° | 110.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.4° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.4° |
| HN4 | N4 | HN4A | 109.4° | 111.0° |
| H25 | C25 | H25A | 106.2° | 109.4° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | N2 | O1 | 177.5° | 179.7° |
| C1 | C3 | C7 | N4 | 126.6° | 120.0° |
| C1 | C3 | C7 | H3 | 114.5° | 120.0° |
| C1 | C3 | N4 | H3 | 115.8° | 120.0° |
| C1 | C3 | C7 | C9 | 56.6° | 60.0° |
| C1 | C3 | C7 | C10 | 176.0° | 180.0° |
| C1 | C3 | C7 | C11 | 67.3° | 60.0° |
| C3 | C1 | N2 | S1 | 175.9° | 180.0° |
| C3 | C1 | N2 | HN2 | 4.1° | 0.0° |
| C1 | C3 | N4 | HN4 | 178.2° | 60.0° |
| C1 | C3 | N4 | HN4A | 61.8° | 64.0° |
| N2 | C1 | C3 | C7 | 87.1° | 80.1° |
| N2 | C1 | C3 | N4 | 145.0° | 160.0° |
| C1 | N2 | S1 | HN2 | 180.0° | 180.0° |
| C1 | N2 | S1 | O1A | 69.3° | 178.5° |
| C1 | N2 | S1 | O2A | 170.1° | 48.6° |
| C1 | N2 | S1 | O5 | 48.1° | 65.0° |
| N2 | C1 | C3 | H3 | 25.6° | 40.0° |
| O1 | C1 | C3 | C7 | 95.3° | 100.3° |
| O1 | C1 | C3 | N4 | 32.6° | 19.7° |
| O1 | C1 | N2 | S1 | 1.6° | 0.4° |
| O1 | C1 | C3 | H3 | 152.0° | 139.7° |
| O1 | C1 | N2 | HN2 | 178.4° | 179.7° |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 1.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.0° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.0° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.0° |
| C7 | C3 | N4 | H3 | 113.6° | 120.0° |
| C3 | C7 | C9 | C10 | 119.5° | 120.0° |
| C3 | C7 | C9 | C11 | 125.4° | 120.0° |
| C3 | C7 | C10 | C11 | 120.0° | 120.0° |
| C3 | C7 | C9 | H9 | 25.1° | 60.0° |
| C3 | C7 | C9 | H9A | 94.9° | 180.0° |
| C3 | C7 | C9 | H9B | 145.1° | 60.0° |
| C3 | C7 | C10 | H10 | 140.6° | 59.9° |
| C3 | C7 | C10 | H10A | 99.4° | 180.0° |
| C3 | C7 | C10 | H10B | 20.6° | 60.1° |
| C3 | C7 | C11 | H11 | 59.5° | 60.0° |
| C3 | C7 | C11 | H11A | 179.5° | 180.0° |
| C3 | C7 | C11 | H11B | 60.5° | 60.1° |
| C7 | C3 | N4 | HN4 | 51.1° | 60.0° |
| C7 | C3 | N4 | HN4A | 68.9° | 176.0° |
| N4 | C3 | C7 | C9 | 70.0° | 60.0° |
| N4 | C3 | C7 | C10 | 49.4° | 60.0° |
| N4 | C3 | C7 | C11 | 166.1° | 180.0° |
| C3 | N4 | HN4 | HN4A | 120.0° | 124.0° |
| C5 | C4 | N3 | N9 | 179.5° | 180.0° |
| C4 | C5 | C6 | N7 | 179.5° | 180.0° |
| C4 | C5 | C6 | N1 | 1.1° | 0.0° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C21 | 178.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | N9 | C21 | 1.7° | 0.0° |
| C4 | N3 | C2 | H2 | 178.5° | 179.7° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | C21 | 177.8° | 180.0° |
| C4 | N9 | C8 | N7 | 1.0° | 0.0° |
| C4 | N9 | C21 | C22 | 120.6° | 85.0° |
| C4 | N9 | C21 | O4 | 124.4° | 159.6° |
| C4 | N9 | C8 | H8 | 179.0° | 179.9° |
| C4 | N9 | C21 | H21 | 2.5° | 37.3° |
| C5 | C6 | N1 | N6 | 179.0° | 180.0° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN6 | 18.9° | 0.0° |
| C5 | C6 | N6 | HN6A | 101.1° | 180.0° |
| N7 | C5 | C6 | N1 | 179.3° | 180.0° |
| N7 | C5 | C6 | N6 | 0.3° | 0.0° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H8 | 179.1° | 179.9° |
| C6 | N1 | C2 | H2 | 179.5° | 179.7° |
| N1 | C6 | N6 | HN6 | 162.2° | 180.0° |
| N1 | C6 | N6 | HN6A | 77.9° | 0.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| C9 | C7 | C10 | C11 | 116.5° | 120.0° |
| C9 | C7 | C3 | H3 | 171.0° | 180.0° |
| C7 | C9 | H9 | H9A | 120.0° | 120.0° |
| C7 | C9 | H9 | H9B | 120.0° | 120.0° |
| C7 | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | C7 | C10 | H10 | 95.9° | 180.0° |
| C9 | C7 | C10 | H10A | 24.1° | 60.0° |
| C9 | C7 | C10 | H10B | 144.1° | 60.0° |
| C9 | C7 | C11 | H11 | 67.4° | 60.0° |
| C9 | C7 | C11 | H11A | 52.6° | 60.1° |
| C9 | C7 | C11 | H11B | 172.7° | 180.0° |
| C10 | C7 | C3 | H3 | 69.6° | 59.9° |
| C10 | C7 | C9 | H9 | 144.6° | 60.0° |
| C10 | C7 | C9 | H9A | 24.6° | 60.0° |
| C10 | C7 | C9 | H9B | 95.4° | 180.0° |
| C7 | C10 | H10 | H10A | 120.0° | 120.1° |
| C7 | C10 | H10 | H10B | 119.9° | 120.0° |
| C7 | C10 | H10A | H10B | 120.0° | 119.9° |
| C10 | C7 | C11 | H11 | 176.9° | 180.0° |
| C10 | C7 | C11 | H11A | 63.1° | 60.0° |
| C10 | C7 | C11 | H11B | 57.0° | 59.9° |
| C11 | C7 | C3 | H3 | 47.2° | 60.1° |
| C11 | C7 | C9 | H9 | 100.3° | 180.0° |
| C11 | C7 | C9 | H9A | 139.7° | 60.0° |
| C11 | C7 | C9 | H9B | 19.7° | 60.0° |
| C11 | C7 | C10 | H10 | 20.6° | 60.0° |
| C11 | C7 | C10 | H10A | 140.6° | 60.0° |
| C11 | C7 | C10 | H10B | 99.4° | 180.0° |
| C7 | C11 | H11 | H11A | 120.0° | 120.0° |
| C7 | C11 | H11 | H11B | 120.0° | 120.0° |
| C7 | C11 | H11A | H11B | 120.0° | 119.9° |
| N2 | S1 | O1A | O2A | 120.7° | 123.0° |
| N2 | S1 | O1A | O5 | 120.5° | 114.2° |
| N2 | S1 | O2A | O5 | 124.6° | 114.2° |
| N2 | S1 | O5 | C25 | 71.4° | 75.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C21 | C22 | 57.0° | 95.0° |
| C8 | N9 | C21 | O4 | 58.1° | 20.4° |
| C8 | N9 | C21 | H21 | 180.0° | 142.7° |
| N7 | C8 | N9 | C21 | 178.9° | 180.0° |
| O2 | C22 | C23 | C24 | 152.2° | 118.6° |
| O2 | C22 | C23 | O3 | 37.1° | 0.1° |
| O2 | C22 | C23 | C21 | 123.1° | 118.6° |
| O2 | C22 | C23 | H22 | 114.6° | 122.6° |
| O2 | C22 | C21 | H22 | 114.7° | 122.6° |
| O2 | C22 | C21 | O4 | 161.6° | 142.6° |
| O2 | C22 | C21 | N9 | 77.9° | 98.5° |
| O2 | C22 | C23 | H23 | 83.8° | 122.7° |
| O2 | C22 | C21 | H21 | 40.0° | 23.8° |
| O1A | S1 | O2A | O5 | 119.0° | 122.9° |
| O1A | S1 | O5 | C25 | 173.5° | 38.6° |
| O1A | S1 | N2 | HN2 | 110.7° | 1.5° |
| O2A | S1 | O5 | C25 | 52.5° | 171.4° |
| O2A | S1 | N2 | HN2 | 9.9° | 131.4° |
| S1 | O5 | C25 | C24 | 165.6° | 180.0° |
| O5 | S1 | N2 | HN2 | 131.9° | 115.0° |
| S1 | O5 | C25 | H25 | 45.6° | 60.0° |
| S1 | O5 | C25 | H25A | 72.8° | 60.0° |
| O5 | C25 | C24 | H25 | 120.0° | 120.0° |
| O5 | C25 | C24 | H25A | 121.7° | 120.1° |
| O5 | C25 | C24 | C23 | 43.6° | 175.0° |
| O5 | C25 | C24 | O4 | 73.4° | 69.6° |
| O5 | C25 | H25 | H25A | 121.8° | 120.0° |
| O5 | C25 | C24 | H24 | 163.9° | 52.8° |
| C25 | C24 | C23 | O4 | 116.8° | 118.8° |
| C25 | C24 | C23 | H24 | 120.4° | 122.1° |
| C25 | C24 | O4 | H24 | 120.2° | 122.3° |
| C25 | C24 | C23 | O3 | 138.8° | 98.5° |
| C25 | C24 | C23 | C22 | 105.0° | 142.8° |
| C25 | C24 | O4 | C21 | 131.5° | 159.4° |
| C24 | C25 | H25 | H25A | 121.8° | 120.0° |
| C25 | C24 | C23 | H23 | 18.1° | 24.1° |
| C23 | C24 | O4 | H24 | 120.1° | 118.9° |
| C24 | C23 | O3 | C22 | 111.6° | 114.7° |
| C24 | C23 | O3 | H23 | 124.5° | 122.6° |
| C24 | C23 | C22 | H23 | 124.0° | 118.7° |
| C24 | C23 | C22 | C21 | 29.2° | 0.0° |
| C23 | C24 | O4 | C21 | 11.8° | 40.5° |
| C23 | C24 | C25 | H25 | 76.4° | 65.0° |
| C23 | C24 | C25 | H25A | 165.3° | 54.9° |
| C24 | C23 | O3 | HO3 | 102.3° | 180.0° |
| C24 | C23 | C22 | H22 | 93.2° | 118.8° |
| O4 | C24 | C23 | O3 | 104.4° | 142.6° |
| O4 | C24 | C23 | C22 | 11.8° | 24.0° |
| C24 | O4 | C21 | C22 | 30.4° | 40.5° |
| C24 | O4 | C21 | N9 | 149.6° | 159.4° |
| O4 | C24 | C25 | H25 | 166.6° | 50.4° |
| O4 | C24 | C25 | H25A | 48.3° | 170.3° |
| O4 | C24 | C23 | H23 | 134.9° | 94.7° |
| C24 | O4 | C21 | H21 | 92.4° | 78.3° |
| O3 | C23 | C22 | H23 | 120.8° | 122.7° |
| O3 | C23 | C22 | C21 | 86.0° | 118.7° |
| O3 | C23 | C24 | H24 | 18.4° | 23.6° |
| O3 | C23 | C22 | H22 | 151.7° | 122.6° |
| C23 | C22 | C21 | H22 | 120.4° | 118.7° |
| C23 | C22 | C21 | O4 | 36.8° | 24.0° |
| C23 | C22 | C21 | N9 | 157.2° | 142.9° |
| C23 | C22 | O2 | HO2 | 173.3° | 61.5° |
| C22 | C23 | C24 | H24 | 134.6° | 95.0° |
| C22 | C23 | O3 | HO3 | 9.3° | 65.3° |
| C23 | C22 | C21 | H21 | 84.8° | 94.8° |
| C22 | C21 | O4 | N9 | 119.1° | 118.9° |
| C22 | C21 | O4 | H21 | 122.8° | 118.8° |
| C22 | C21 | N9 | H21 | 123.1° | 122.3° |
| C21 | C22 | O2 | HO2 | 68.7° | 176.1° |
| C21 | C22 | C23 | H23 | 153.2° | 118.7° |
| O4 | C21 | N9 | H21 | 121.9° | 122.3° |
| C21 | O4 | C24 | H24 | 108.3° | 78.4° |
| O4 | C21 | C22 | H22 | 83.6° | 94.7° |
| C21 | N9 | C8 | H8 | 1.1° | 0.1° |
| N9 | C21 | C22 | H22 | 36.8° | 24.1° |
| H3 | C3 | N4 | HN4 | 62.5° | 180.0° |
| H3 | C3 | N4 | HN4A | 177.6° | 56.0° |
| HO2 | O2 | C22 | H22 | 53.3° | 61.2° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H25 | C25 | C24 | H24 | 43.9° | 172.8° |
| H25A | C25 | C24 | H24 | 74.5° | 67.3° |
| H24 | C24 | C23 | H23 | 102.3° | 146.3° |
| H23 | C23 | O3 | HO3 | 133.1° | 57.4° |
| H23 | C23 | C22 | H22 | 30.9° | 0.1° |
| H22 | C22 | C21 | H21 | 154.7° | 146.4° |
