MGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| PB | O5' | sing | 1.61Å | 1.64Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | PA | sing | 1.61Å | 1.57Å | |
| O3A | PA | sing | 1.61Å | 1.63Å | |
| O3A | C10 | sing | 1.43Å | 1.42Å | |
| PA | O1A | doub | 1.48Å | 1.47Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.58Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | |
| C5 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.31Å | |
| C2 | N3 | doub | 1.31Å | 1.32Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | O11 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.50Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| O11 | C23 | sing | 1.43Å | 1.40Å | |
| C12 | S12 | sing | 1.76Å | 1.77Å | |
| C12 | C13 | doub | 1.34Å | 1.40Å | |
| S12 | H12 | sing | 1.35Å | 0.95Å | |
| C13 | S13 | sing | 1.76Å | 1.76Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| S13 | H13 | sing | 1.34Å | 0.95Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C14 | C23 | sing | 1.53Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| N15 | C16 | sing | 1.41Å | 1.37Å | |
| N15 | H15 | sing | 0.97Å | 1.02Å | |
| C16 | C17 | sing | 1.40Å | 1.42Å | |
| C16 | C21 | doub | 1.39Å | 1.40Å | |
| C17 | O17 | doub | 1.22Å | 1.25Å | |
| C17 | N18 | sing | 1.35Å | 1.38Å | |
| N18 | C19 | sing | 1.36Å | 1.37Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C19 | N19 | sing | 1.37Å | 1.31Å | |
| C19 | N20 | doub | 1.32Å | 1.31Å | |
| N19 | H191 | sing | 0.97Å | 1.02Å | |
| N19 | H192 | sing | 0.97Å | 1.02Å | |
| N20 | C21 | sing | 1.34Å | 1.35Å | |
| C21 | N22 | sing | 1.39Å | 1.36Å | |
| N22 | C23 | sing | 1.47Å | 1.44Å | |
| N22 | H22 | sing | 0.97Å | 1.02Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 119.4° | 109.4° |
| O1B | PB | O3B | 115.4° | 109.5° |
| O1B | PB | O5' | 108.9° | 109.5° |
| O2B | PB | O3B | 103.8° | 109.5° |
| O2B | PB | O5' | 113.2° | 109.4° |
| PB | O2B | HOB2 | 119.5° | 106.8° |
| O3B | PB | O5' | 92.9° | 109.4° |
| PB | O3B | PA | 137.1° | 106.8° |
| PB | O5' | C5' | 119.2° | 106.8° |
| O3B | PA | O3A | 95.1° | 109.5° |
| O3B | PA | O1A | 109.3° | 109.5° |
| O3B | PA | O2A | 111.5° | 109.5° |
| PA | O3A | C10 | 127.1° | 106.9° |
| O3A | PA | O1A | 111.0° | 109.4° |
| O3A | PA | O2A | 108.1° | 109.5° |
| O3A | C10 | C11 | 104.5° | 109.5° |
| O3A | C10 | H101 | 114.1° | 109.5° |
| O3A | C10 | H102 | 114.1° | 109.5° |
| O1A | PA | O2A | 119.2° | 109.5° |
| PA | O2A | HOA2 | 111.5° | 106.8° |
| O5' | C5' | C4' | 115.3° | 109.5° |
| O5' | C5' | H5'1 | 110.0° | 109.5° |
| O5' | C5' | H5'2 | 110.1° | 109.5° |
| C4' | C5' | H5'1 | 110.1° | 109.4° |
| C4' | C5' | H5'2 | 110.1° | 109.4° |
| C5' | C4' | O4' | 111.1° | 109.9° |
| C5' | C4' | C3' | 113.6° | 109.9° |
| C5' | C4' | H4' | 104.3° | 109.9° |
| H5'1 | C5' | H5'2 | 100.2° | 109.5° |
| O4' | C4' | C3' | 105.9° | 107.5° |
| O4' | C4' | H4' | 112.3° | 109.9° |
| C4' | O4' | C1' | 107.4° | 106.9° |
| C3' | C4' | H4' | 109.8° | 109.8° |
| C4' | C3' | O3' | 106.2° | 110.8° |
| C4' | C3' | C2' | 104.4° | 104.0° |
| C4' | C3' | H3' | 115.5° | 110.4° |
| O4' | C1' | C2' | 103.5° | 103.5° |
| O4' | C1' | N9 | 110.5° | 110.6° |
| O4' | C1' | H1' | 114.1° | 110.6° |
| O3' | C3' | C2' | 111.9° | 110.5° |
| O3' | C3' | H3' | 108.5° | 110.4° |
| C3' | O3' | HO3' | 106.2° | 106.8° |
| C2' | C3' | H3' | 110.2° | 110.5° |
| C3' | C2' | O2' | 111.6° | 110.9° |
| C3' | C2' | C1' | 100.4° | 102.1° |
| C3' | C2' | H2' | 113.6° | 111.0° |
| O2' | C2' | C1' | 108.4° | 110.9° |
| O2' | C2' | H2' | 106.2° | 110.8° |
| C2' | O2' | HO2' | 111.7° | 106.8° |
| C1' | C2' | H2' | 116.6° | 110.9° |
| C2' | C1' | N9 | 113.4° | 110.8° |
| C2' | C1' | H1' | 111.2° | 110.6° |
| N9 | C1' | H1' | 104.4° | 110.5° |
| C1' | N9 | C8 | 128.1° | 126.3° |
| C1' | N9 | C4 | 126.8° | 126.3° |
| C8 | N9 | C4 | 105.0° | 107.4° |
| N9 | C8 | N7 | 113.1° | 109.8° |
| N9 | C8 | H8 | 125.8° | 125.1° |
| N9 | C4 | C5 | 106.6° | 106.2° |
| N9 | C4 | N3 | 127.5° | 134.2° |
| N7 | C8 | H8 | 121.1° | 125.1° |
| C8 | N7 | C5 | 104.5° | 109.3° |
| N7 | C5 | C6 | 130.7° | 134.2° |
| N7 | C5 | C4 | 110.7° | 107.2° |
| C6 | C5 | C4 | 118.6° | 118.6° |
| C5 | C6 | O6 | 121.6° | 120.8° |
| C5 | C6 | N1 | 115.0° | 118.4° |
| C5 | C4 | N3 | 125.9° | 119.6° |
| O6 | C6 | N1 | 123.1° | 120.8° |
| C6 | N1 | C2 | 122.3° | 120.3° |
| C6 | N1 | HN1 | 119.1° | 119.9° |
| C2 | N1 | HN1 | 118.6° | 119.8° |
| N1 | C2 | N2 | 119.5° | 119.1° |
| N1 | C2 | N3 | 122.3° | 121.9° |
| N2 | C2 | N3 | 118.2° | 119.0° |
| C2 | N2 | HN21 | 119.5° | 120.0° |
| C2 | N2 | HN22 | 108.6° | 119.9° |
| C2 | N3 | C4 | 115.9° | 121.1° |
| HN21 | N2 | HN22 | 108.6° | 120.0° |
| C11 | C10 | H101 | 114.1° | 109.4° |
| C11 | C10 | H102 | 114.1° | 109.5° |
| C10 | C11 | O11 | 111.8° | 109.0° |
| C10 | C11 | C12 | 109.9° | 108.9° |
| C10 | C11 | H11 | 108.4° | 109.0° |
| H101 | C10 | H102 | 96.4° | 109.5° |
| O11 | C11 | C12 | 111.7° | 111.8° |
| O11 | C11 | H11 | 106.4° | 109.0° |
| C11 | O11 | C23 | 113.0° | 106.8° |
| C12 | C11 | H11 | 108.5° | 109.0° |
| C11 | C12 | S12 | 117.9° | 119.1° |
| C11 | C12 | C13 | 121.7° | 122.2° |
| O11 | C23 | C14 | 112.4° | 107.9° |
| O11 | C23 | N22 | 108.3° | 109.2° |
| O11 | C23 | H23 | 108.7° | 110.4° |
| S12 | C12 | C13 | 120.4° | 118.7° |
| C12 | S12 | H12 | 117.8° | 100.0° |
| C12 | C13 | S13 | 120.8° | 119.6° |
| C12 | C13 | C14 | 119.8° | 119.5° |
| S13 | C13 | C14 | 119.4° | 120.9° |
| C13 | S13 | H13 | 120.8° | 100.1° |
| C13 | C14 | N15 | 106.4° | 108.9° |
| C13 | C14 | C23 | 108.7° | 108.9° |
| C13 | C14 | H14 | 113.1° | 110.3° |
| N15 | C14 | C23 | 112.8° | 107.9° |
| N15 | C14 | H14 | 109.1° | 110.3° |
| C14 | N15 | C16 | 115.3° | 119.0° |
| C14 | N15 | H15 | 110.1° | 120.6° |
| C23 | C14 | H14 | 106.8° | 110.4° |
| C14 | C23 | N22 | 110.5° | 108.6° |
| C14 | C23 | H23 | 106.4° | 110.4° |
| C16 | N15 | H15 | 110.0° | 120.4° |
| N15 | C16 | C17 | 118.9° | 121.0° |
| N15 | C16 | C21 | 121.3° | 120.0° |
| C17 | C16 | C21 | 119.8° | 119.0° |
| C16 | C17 | O17 | 121.8° | 120.7° |
| C16 | C17 | N18 | 116.1° | 118.6° |
| C16 | C21 | N20 | 119.7° | 119.7° |
| C16 | C21 | N22 | 122.0° | 119.6° |
| O17 | C17 | N18 | 122.1° | 120.7° |
| C17 | N18 | C19 | 121.5° | 120.2° |
| C17 | N18 | H18 | 119.7° | 120.0° |
| C19 | N18 | H18 | 118.8° | 119.9° |
| N18 | C19 | N19 | 119.7° | 119.2° |
| N18 | C19 | N20 | 121.6° | 121.6° |
| N19 | C19 | N20 | 118.7° | 119.2° |
| C19 | N19 | H191 | 119.7° | 120.0° |
| C19 | N19 | H192 | 108.5° | 120.0° |
| C19 | N20 | C21 | 121.4° | 120.9° |
| H191 | N19 | H192 | 108.5° | 120.0° |
| N20 | C21 | N22 | 118.2° | 120.7° |
| C21 | N22 | C23 | 115.6° | 119.5° |
| C21 | N22 | H22 | 110.0° | 120.3° |
| C23 | N22 | H22 | 110.0° | 120.2° |
| N22 | C23 | H23 | 110.6° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 130.3° | 120.0° |
| O1B | PB | O2B | O5' | 130.4° | 120.0° |
| O1B | PB | O3B | O5' | 112.6° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 180.0° |
| O1B | PB | O3B | PA | 3.7° | 60.0° |
| O1B | PB | O5' | C5' | 54.0° | 60.0° |
| O2B | PB | O3B | O5' | 114.8° | 120.0° |
| O2B | PB | O3B | PA | 136.4° | 60.0° |
| O2B | PB | O5' | C5' | 170.5° | 60.0° |
| O3B | PB | O2B | HOB2 | 49.7° | 59.9° |
| PB | O3B | PA | O3A | 82.9° | 180.0° |
| PB | O3B | PA | O1A | 162.8° | 60.0° |
| PB | O3B | PA | O2A | 28.9° | 60.0° |
| O3B | PB | O5' | C5' | 64.1° | 180.0° |
| O5' | PB | O2B | HOB2 | 49.6° | 60.0° |
| O5' | PB | O3B | PA | 108.9° | 180.0° |
| PB | O5' | C5' | C4' | 137.2° | 180.0° |
| PB | O5' | C5' | H5'1 | 11.9° | 60.0° |
| PB | O5' | C5' | H5'2 | 97.5° | 60.0° |
| O3B | PA | O3A | O1A | 112.9° | 120.0° |
| O3B | PA | O3A | O2A | 114.6° | 120.0° |
| O3B | PA | O3A | C10 | 68.6° | 180.0° |
| O3B | PA | O1A | O2A | 129.9° | 120.0° |
| O3B | PA | O2A | HOA2 | 180.0° | 60.0° |
| O3A | PA | O1A | O2A | 126.6° | 120.0° |
| O3A | PA | O2A | HOA2 | 76.7° | 60.0° |
| PA | O3A | C10 | C11 | 131.8° | 180.0° |
| PA | O3A | C10 | H101 | 103.0° | 60.0° |
| PA | O3A | C10 | H102 | 6.5° | 60.0° |
| C10 | O3A | PA | O1A | 44.3° | 60.0° |
| C10 | O3A | PA | O2A | 176.8° | 60.0° |
| O3A | C10 | C11 | H101 | 125.2° | 120.0° |
| O3A | C10 | C11 | H102 | 125.3° | 120.1° |
| O3A | C10 | H101 | H102 | 120.0° | 120.0° |
| O3A | C10 | C11 | O11 | 55.3° | 60.0° |
| O3A | C10 | C11 | C12 | 180.0° | 177.7° |
| O3A | C10 | C11 | H11 | 61.6° | 58.9° |
| O1A | PA | O2A | HOA2 | 51.2° | 180.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 115.9° | 120.0° |
| O5' | C5' | C4' | O4' | 73.1° | 61.7° |
| O5' | C5' | C4' | C3' | 46.1° | 179.7° |
| O5' | C5' | C4' | H4' | 165.6° | 59.3° |
| C4' | C5' | H5'1 | H5'2 | 115.9° | 120.0° |
| C5' | C4' | O4' | C3' | 123.8° | 119.6° |
| C5' | C4' | O4' | H4' | 116.5° | 121.0° |
| C5' | C4' | C3' | H4' | 116.4° | 121.0° |
| C5' | C4' | O4' | C1' | 155.0° | 146.0° |
| C5' | C4' | C3' | O3' | 113.5° | 119.9° |
| C5' | C4' | C3' | C2' | 128.1° | 121.4° |
| C5' | C4' | C3' | H3' | 6.8° | 2.8° |
| H5'1 | C5' | C4' | O4' | 161.7° | 58.3° |
| H5'1 | C5' | C4' | C3' | 79.1° | 59.7° |
| H5'1 | C5' | C4' | H4' | 40.4° | 179.3° |
| H5'2 | C5' | C4' | O4' | 52.1° | 178.3° |
| H5'2 | C5' | C4' | C3' | 171.4° | 60.3° |
| H5'2 | C5' | C4' | H4' | 69.1° | 60.7° |
| O4' | C4' | C3' | H4' | 121.5° | 119.5° |
| O4' | C4' | C3' | O3' | 124.3° | 120.6° |
| O4' | C4' | C3' | C2' | 5.9° | 1.9° |
| O4' | C4' | C3' | H3' | 115.3° | 116.7° |
| C4' | O4' | C1' | C2' | 44.6° | 40.0° |
| C4' | O4' | C1' | N9 | 166.3° | 158.7° |
| C4' | O4' | C1' | H1' | 76.5° | 78.5° |
| C3' | C4' | O4' | C1' | 31.2° | 26.4° |
| C4' | C3' | O3' | C2' | 113.3° | 114.8° |
| C4' | C3' | O3' | H3' | 124.8° | 122.7° |
| C4' | C3' | C2' | H3' | 124.7° | 118.5° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 133.8° | 139.2° |
| C4' | C3' | C2' | C1' | 19.0° | 21.0° |
| C4' | C3' | C2' | H2' | 106.2° | 97.2° |
| H4' | C4' | O4' | C1' | 88.6° | 93.1° |
| H4' | C4' | C3' | O3' | 2.8° | 1.1° |
| H4' | C4' | C3' | C2' | 115.5° | 117.6° |
| H4' | C4' | C3' | H3' | 123.2° | 123.8° |
| O4' | C1' | C2' | C3' | 37.5° | 37.1° |
| O4' | C1' | C2' | O2' | 154.7° | 155.3° |
| O4' | C1' | C2' | N9 | 119.8° | 118.6° |
| O4' | C1' | C2' | H1' | 122.9° | 118.5° |
| O4' | C1' | C2' | H2' | 85.6° | 81.2° |
| O4' | C1' | N9 | H1' | 123.1° | 122.8° |
| O4' | C1' | N9 | C8 | 91.7° | 28.6° |
| O4' | C1' | N9 | C4 | 84.7° | 151.8° |
| O3' | C3' | C2' | H3' | 120.9° | 122.5° |
| O3' | C3' | C2' | O2' | 19.3° | 20.2° |
| O3' | C3' | C2' | C1' | 95.4° | 98.0° |
| O3' | C3' | C2' | H2' | 139.4° | 143.8° |
| C2' | C3' | O3' | HO3' | 66.7° | 61.4° |
| C3' | C2' | O2' | C1' | 109.7° | 112.7° |
| C3' | C2' | O2' | H2' | 124.3° | 123.8° |
| C3' | C2' | C1' | H2' | 123.1° | 118.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 67.3° |
| C3' | C2' | C1' | N9 | 157.3° | 155.7° |
| C3' | C2' | C1' | H1' | 85.4° | 81.4° |
| H3' | C3' | O3' | HO3' | 55.2° | 61.1° |
| H3' | C3' | C2' | O2' | 101.5° | 102.3° |
| H3' | C3' | C2' | C1' | 143.7° | 139.6° |
| H3' | C3' | C2' | H2' | 18.5° | 21.4° |
| O2' | C2' | C1' | H2' | 119.7° | 123.5° |
| O2' | C2' | C1' | N9 | 85.6° | 86.1° |
| O2' | C2' | C1' | H1' | 31.7° | 36.8° |
| C1' | C2' | O2' | HO2' | 70.4° | 180.0° |
| C2' | C1' | N9 | H1' | 121.2° | 123.0° |
| C2' | C1' | N9 | C8 | 24.0° | 85.6° |
| C2' | C1' | N9 | C4 | 159.6° | 94.1° |
| H2' | C2' | O2' | HO2' | 55.7° | 56.4° |
| H2' | C2' | C1' | N9 | 34.2° | 37.4° |
| H2' | C2' | C1' | H1' | 151.5° | 160.3° |
| C1' | N9 | C8 | C4 | 177.0° | 179.7° |
| C1' | N9 | C8 | N7 | 176.8° | 179.9° |
| C1' | N9 | C8 | H8 | 3.2° | 0.0° |
| C1' | N9 | C4 | C5 | 177.4° | 179.9° |
| C1' | N9 | C4 | N3 | 2.5° | 0.8° |
| H1' | C1' | N9 | C8 | 145.2° | 151.4° |
| H1' | C1' | N9 | C4 | 38.4° | 28.9° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.4° |
| C8 | N9 | C4 | N3 | 179.6° | 179.5° |
| C4 | N9 | C8 | N7 | 0.2° | 0.3° |
| C4 | N9 | C8 | H8 | 179.8° | 179.7° |
| N9 | C4 | C5 | N7 | 0.7° | 0.4° |
| N9 | C4 | C5 | C6 | 179.3° | 179.8° |
| N9 | C4 | C5 | N3 | 179.9° | 179.2° |
| N9 | C4 | N3 | C2 | 179.9° | 179.6° |
| C8 | N7 | C5 | C6 | 179.2° | 179.9° |
| C8 | N7 | C5 | C4 | 0.8° | 0.3° |
| H8 | C8 | N7 | C5 | 179.4° | 180.0° |
| N7 | C5 | C6 | C4 | 180.0° | 179.6° |
| N7 | C5 | C6 | O6 | 7.2° | 0.1° |
| N7 | C5 | C6 | N1 | 179.0° | 180.0° |
| N7 | C5 | C4 | N3 | 179.2° | 179.7° |
| C5 | C6 | O6 | N1 | 173.2° | 179.9° |
| C5 | C6 | N1 | C2 | 0.5° | 0.1° |
| C5 | C6 | N1 | HN1 | 179.5° | 179.9° |
| C6 | C5 | C4 | N3 | 0.8° | 0.6° |
| C4 | C5 | C6 | O6 | 172.8° | 179.7° |
| C4 | C5 | C6 | N1 | 1.0° | 0.4° |
| C5 | C4 | N3 | C2 | 0.0° | 0.6° |
| O6 | C6 | N1 | C2 | 173.2° | 180.0° |
| O6 | C6 | N1 | HN1 | 6.8° | 0.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| N1 | C2 | N2 | N3 | 179.9° | 179.8° |
| N1 | C2 | N2 | HN21 | 180.0° | 180.0° |
| N1 | C2 | N2 | HN22 | 54.8° | 0.2° |
| N1 | C2 | N3 | C4 | 0.5° | 0.4° |
| HN1 | N1 | C2 | N2 | 0.2° | 0.1° |
| HN1 | N1 | C2 | N3 | 179.7° | 179.9° |
| C2 | N2 | HN21 | HN22 | 125.2° | 179.9° |
| N2 | C2 | N3 | C4 | 179.6° | 179.8° |
| N3 | C2 | N2 | HN21 | 0.1° | 0.1° |
| N3 | C2 | N2 | HN22 | 125.1° | 180.0° |
| C11 | C10 | H101 | H102 | 120.0° | 119.9° |
| C10 | C11 | O11 | C12 | 123.6° | 120.4° |
| C10 | C11 | O11 | H11 | 118.1° | 118.9° |
| C10 | C11 | C12 | H11 | 118.3° | 118.8° |
| C10 | C11 | O11 | C23 | 170.1° | 175.0° |
| C10 | C11 | C12 | S12 | 43.0° | 41.7° |
| C10 | C11 | C12 | C13 | 138.0° | 138.5° |
| H101 | C10 | C11 | O11 | 69.9° | 180.0° |
| H101 | C10 | C11 | C12 | 54.7° | 57.8° |
| H101 | C10 | C11 | H11 | 173.2° | 61.1° |
| H102 | C10 | C11 | O11 | 179.3° | 60.0° |
| H102 | C10 | C11 | C12 | 54.7° | 62.2° |
| H102 | C10 | C11 | H11 | 63.7° | 178.9° |
| O11 | C11 | C12 | H11 | 117.0° | 120.7° |
| O11 | C11 | C12 | S12 | 167.7° | 162.2° |
| O11 | C11 | C12 | C13 | 13.3° | 18.0° |
| C11 | O11 | C23 | C14 | 69.0° | 75.2° |
| C11 | O11 | C23 | N22 | 168.7° | 166.9° |
| C11 | O11 | C23 | H23 | 48.5° | 45.5° |
| C12 | C11 | O11 | C23 | 46.5° | 54.6° |
| C11 | C12 | S12 | C13 | 179.0° | 179.9° |
| C11 | C12 | S12 | H12 | 180.0° | 174.8° |
| C11 | C12 | C13 | S13 | 179.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.4° |
| H11 | C11 | O11 | C23 | 71.7° | 66.1° |
| H11 | C11 | C12 | S12 | 75.3° | 77.2° |
| H11 | C11 | C12 | C13 | 103.6° | 102.7° |
| O11 | C23 | C14 | C13 | 50.9° | 55.4° |
| O11 | C23 | C14 | N15 | 66.9° | 62.7° |
| O11 | C23 | C14 | N22 | 121.0° | 118.3° |
| O11 | C23 | C14 | H23 | 118.8° | 120.7° |
| O11 | C23 | C14 | H14 | 173.3° | 176.7° |
| O11 | C23 | N22 | C21 | 80.2° | 71.8° |
| O11 | C23 | N22 | H23 | 119.0° | 121.6° |
| O11 | C23 | N22 | H22 | 154.6° | 108.1° |
| S12 | C12 | C13 | S13 | 0.0° | 0.1° |
| S12 | C12 | C13 | C14 | 179.4° | 179.8° |
| C13 | C12 | S12 | H12 | 1.0° | 5.1° |
| C12 | C13 | S13 | C14 | 179.5° | 179.7° |
| C12 | C13 | S13 | H13 | 180.0° | 125.0° |
| C12 | C13 | C14 | N15 | 103.7° | 99.1° |
| C12 | C13 | C14 | C23 | 18.0° | 18.4° |
| C12 | C13 | C14 | H14 | 136.5° | 139.7° |
| S13 | C13 | C14 | N15 | 76.8° | 80.7° |
| S13 | C13 | C14 | C23 | 161.5° | 161.9° |
| S13 | C13 | C14 | H14 | 42.9° | 40.6° |
| C14 | C13 | S13 | H13 | 0.6° | 55.3° |
| C13 | C14 | N15 | C23 | 119.1° | 118.1° |
| C13 | C14 | N15 | H14 | 122.3° | 121.2° |
| C13 | C14 | C23 | H14 | 122.4° | 121.3° |
| C13 | C14 | N15 | C16 | 159.4° | 161.6° |
| C13 | C14 | N15 | H15 | 75.4° | 18.5° |
| C13 | C14 | C23 | N22 | 171.9° | 173.7° |
| C13 | C14 | C23 | H23 | 68.0° | 65.3° |
| N15 | C14 | C23 | H14 | 119.8° | 120.6° |
| C14 | N15 | C16 | H15 | 125.3° | 179.9° |
| C14 | N15 | C16 | C17 | 166.5° | 164.3° |
| C14 | N15 | C16 | C21 | 15.3° | 15.9° |
| N15 | C14 | C23 | N22 | 54.2° | 55.6° |
| N15 | C14 | C23 | H23 | 174.3° | 176.6° |
| C23 | C14 | N15 | C16 | 40.3° | 43.5° |
| C23 | C14 | N15 | H15 | 165.5° | 136.6° |
| C14 | C23 | N22 | C21 | 43.3° | 45.6° |
| C14 | C23 | N22 | H23 | 117.5° | 121.0° |
| C14 | C23 | N22 | H22 | 81.9° | 134.5° |
| H14 | C14 | N15 | C16 | 78.2° | 77.2° |
| H14 | C14 | N15 | H15 | 47.0° | 102.7° |
| H14 | C14 | C23 | N22 | 65.7° | 65.1° |
| H14 | C14 | C23 | H23 | 54.5° | 55.9° |
| N15 | C16 | C17 | C21 | 178.2° | 179.9° |
| N15 | C16 | C17 | O17 | 1.1° | 0.2° |
| N15 | C16 | C17 | N18 | 179.1° | 180.0° |
| N15 | C16 | C21 | N20 | 178.6° | 179.7° |
| N15 | C16 | C21 | N22 | 4.3° | 0.6° |
| H15 | N15 | C16 | C17 | 41.3° | 15.6° |
| H15 | N15 | C16 | C21 | 140.6° | 164.2° |
| C16 | C17 | O17 | N18 | 177.9° | 179.8° |
| C16 | C17 | N18 | C19 | 0.9° | 0.5° |
| C16 | C17 | N18 | H18 | 179.1° | 179.9° |
| C17 | C16 | C21 | N20 | 0.4° | 0.2° |
| C17 | C16 | C21 | N22 | 177.5° | 179.6° |
| C21 | C16 | C17 | O17 | 177.1° | 179.9° |
| C21 | C16 | C17 | N18 | 0.9° | 0.1° |
| C16 | C21 | N20 | C19 | 0.2° | 0.1° |
| C16 | C21 | N20 | N22 | 177.2° | 179.8° |
| C16 | C21 | N22 | C23 | 19.5° | 17.5° |
| C16 | C21 | N22 | H22 | 105.8° | 162.6° |
| O17 | C17 | N18 | C19 | 177.1° | 179.7° |
| O17 | C17 | N18 | H18 | 2.9° | 0.1° |
| C17 | N18 | C19 | H18 | 180.0° | 179.6° |
| C17 | N18 | C19 | N19 | 179.4° | 179.6° |
| C17 | N18 | C19 | N20 | 0.4° | 0.6° |
| N18 | C19 | N19 | N20 | 179.8° | 179.8° |
| N18 | C19 | N19 | H191 | 180.0° | 179.8° |
| N18 | C19 | N19 | H192 | 54.7° | 0.5° |
| N18 | C19 | N20 | C21 | 0.2° | 0.3° |
| H18 | N18 | C19 | N19 | 0.7° | 0.0° |
| H18 | N18 | C19 | N20 | 179.6° | 179.8° |
| C19 | N19 | H191 | H192 | 125.3° | 179.7° |
| N19 | C19 | N20 | C21 | 179.9° | 180.0° |
| N20 | C19 | N19 | H191 | 0.3° | 0.0° |
| N20 | C19 | N19 | H192 | 125.5° | 179.7° |
| C19 | N20 | C21 | N22 | 177.1° | 179.7° |
| N20 | C21 | N22 | C23 | 163.4° | 162.7° |
| N20 | C21 | N22 | H22 | 71.4° | 17.1° |
| C21 | N22 | C23 | H22 | 125.2° | 179.8° |
| C21 | N22 | C23 | H23 | 160.8° | 166.7° |
| H22 | N22 | C23 | H23 | 35.6° | 13.5° |
