PGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | doub | 1.48Å | 1.71Å | |
| PB | O2B | sing | 1.61Å | 1.70Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| PB | O5' | sing | 1.61Å | 1.72Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | PA | sing | 1.61Å | 1.62Å | |
| O3A | PA | sing | 1.61Å | 1.74Å | |
| O3A | C10 | sing | 1.43Å | 1.39Å | |
| PA | O1A | doub | 1.48Å | 1.70Å | |
| PA | O2A | sing | 1.61Å | 1.69Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| 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 | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.39Å | |
| C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.41Å | |
| C2 | N3 | doub | 1.31Å | 1.37Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.37Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O11 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.50Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| O11 | C23 | sing | 1.43Å | 1.40Å | |
| C12 | S12 | sing | 1.76Å | 1.82Å | |
| C12 | C13 | doub | 1.32Å | 1.35Å | |
| S12 | H12 | sing | 1.34Å | 0.95Å | |
| C13 | S13 | sing | 1.76Å | 1.79Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| S13 | H13 | sing | 1.34Å | 0.95Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| C14 | C23 | sing | 1.53Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| N15 | C16 | doub | 1.29Å | 1.44Å | |
| C16 | C17 | sing | 1.49Å | 1.40Å | |
| C16 | C21 | sing | 1.49Å | 1.39Å | |
| C17 | O17 | doub | 1.22Å | 1.22Å | |
| C17 | N18 | sing | 1.34Å | 1.36Å | |
| N18 | C19 | doub | 1.32Å | 1.36Å | |
| C19 | N19 | sing | 1.37Å | 1.42Å | |
| C19 | N20 | sing | 1.34Å | 1.36Å | |
| N19 | H191 | sing | 0.97Å | 1.02Å | |
| N19 | H192 | sing | 0.97Å | 1.02Å | |
| N20 | C21 | doub | 1.31Å | 1.36Å | |
| C21 | N22 | sing | 1.37Å | 1.43Å | |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| N22 | H22 | sing | 0.97Å | 1.02Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 115.0° | 109.4° |
| O1B | PB | O3B | 103.4° | 109.5° |
| O1B | PB | O5' | 113.2° | 109.5° |
| O2B | PB | O3B | 109.6° | 109.5° |
| O2B | PB | O5' | 109.8° | 109.5° |
| PB | O2B | HOB2 | 115.0° | 106.8° |
| O3B | PB | O5' | 105.1° | 109.5° |
| PB | O3B | PA | 137.5° | 106.8° |
| PB | O5' | C5' | 115.9° | 106.8° |
| O3B | PA | O3A | 101.6° | 109.5° |
| O3B | PA | O1A | 109.4° | 109.5° |
| O3B | PA | O2A | 107.7° | 109.5° |
| PA | O3A | C10 | 108.4° | 106.8° |
| O3A | PA | O1A | 109.0° | 109.5° |
| O3A | PA | O2A | 112.2° | 109.4° |
| O3A | C10 | C11 | 104.2° | 109.5° |
| O3A | C10 | H101 | 114.3° | 109.5° |
| O3A | C10 | H102 | 114.2° | 109.5° |
| O1A | PA | O2A | 115.9° | 109.5° |
| PA | O2A | HOA2 | 107.7° | 106.8° |
| O5' | C5' | C4' | 104.6° | 109.5° |
| O5' | C5' | H5'1 | 114.0° | 109.4° |
| O5' | C5' | H5'2 | 114.0° | 109.5° |
| C4' | C5' | H5'1 | 114.1° | 109.5° |
| C4' | C5' | H5'2 | 114.1° | 109.4° |
| C5' | C4' | O4' | 108.8° | 110.4° |
| C5' | C4' | C3' | 111.5° | 110.5° |
| C5' | C4' | H4' | 108.0° | 110.3° |
| H5'1 | C5' | H5'2 | 96.4° | 109.5° |
| O4' | C4' | C3' | 107.7° | 104.8° |
| O4' | C4' | H4' | 111.8° | 110.4° |
| C4' | O4' | C1' | 103.1° | 105.3° |
| C3' | C4' | H4' | 109.1° | 110.3° |
| C4' | C3' | O3' | 109.1° | 110.6° |
| C4' | C3' | C2' | 104.1° | 104.1° |
| C4' | C3' | H3' | 114.6° | 110.5° |
| O4' | C1' | C2' | 103.9° | 104.9° |
| O4' | C1' | N9 | 108.0° | 110.4° |
| O4' | C1' | H1' | 115.2° | 110.4° |
| O3' | C3' | C2' | 113.5° | 110.5° |
| O3' | C3' | H3' | 105.5° | 110.4° |
| C3' | O3' | HO3' | 109.0° | 106.8° |
| C2' | C3' | H3' | 110.3° | 110.6° |
| C3' | C2' | O2' | 113.5° | 110.5° |
| C3' | C2' | C1' | 101.0° | 104.0° |
| C3' | C2' | H2' | 112.6° | 110.5° |
| O2' | C2' | C1' | 110.0° | 110.8° |
| O2' | C2' | H2' | 104.1° | 110.5° |
| C2' | O2' | HO2' | 113.4° | 106.8° |
| C1' | C2' | H2' | 116.0° | 110.4° |
| C2' | C1' | N9 | 113.0° | 110.3° |
| C2' | C1' | H1' | 110.4° | 110.4° |
| N9 | C1' | H1' | 106.5° | 110.3° |
| C1' | N9 | C8 | 128.8° | 126.3° |
| C1' | N9 | C4 | 127.4° | 126.3° |
| C8 | N9 | C4 | 103.7° | 107.4° |
| N9 | C8 | N7 | 112.9° | 109.8° |
| N9 | C8 | H8 | 123.7° | 125.1° |
| N9 | C4 | C5 | 110.0° | 106.1° |
| N9 | C4 | N3 | 125.6° | 134.2° |
| N7 | C8 | H8 | 123.4° | 125.1° |
| C8 | N7 | C5 | 103.8° | 109.3° |
| N7 | C5 | C6 | 130.9° | 134.1° |
| N7 | C5 | C4 | 109.6° | 107.3° |
| C6 | C5 | C4 | 119.5° | 118.6° |
| C5 | C6 | O6 | 126.5° | 120.8° |
| C5 | C6 | N1 | 116.9° | 118.4° |
| C5 | C4 | N3 | 124.3° | 119.7° |
| O6 | C6 | N1 | 116.6° | 120.8° |
| C6 | N1 | C2 | 122.4° | 120.3° |
| C6 | N1 | HN1 | 118.3° | 119.8° |
| C2 | N1 | HN1 | 119.4° | 119.8° |
| N1 | C2 | N2 | 118.1° | 119.1° |
| N1 | C2 | N3 | 120.9° | 121.9° |
| N2 | C2 | N3 | 120.9° | 119.0° |
| C2 | N2 | HN21 | 118.1° | 120.0° |
| C2 | N2 | HN22 | 109.1° | 120.0° |
| C2 | N3 | C4 | 115.9° | 121.1° |
| HN21 | N2 | HN22 | 109.1° | 120.0° |
| C11 | C10 | H101 | 114.1° | 109.5° |
| C11 | C10 | H102 | 114.2° | 109.4° |
| C10 | C11 | O11 | 105.8° | 109.2° |
| C10 | C11 | C12 | 108.8° | 109.2° |
| C10 | C11 | H11 | 113.6° | 109.2° |
| H101 | C10 | H102 | 96.3° | 109.5° |
| O11 | C11 | C12 | 113.0° | 110.7° |
| O11 | C11 | H11 | 109.4° | 109.2° |
| C11 | O11 | C23 | 110.3° | 107.1° |
| C12 | C11 | H11 | 106.4° | 109.3° |
| C11 | C12 | S12 | 122.7° | 118.8° |
| C11 | C12 | C13 | 121.2° | 122.2° |
| O11 | C23 | C14 | 111.0° | 109.2° |
| O11 | C23 | N22 | 110.0° | 109.5° |
| O11 | C23 | H23 | 107.6° | 109.5° |
| S12 | C12 | C13 | 115.1° | 118.9° |
| C12 | S12 | H12 | 122.7° | 100.1° |
| C12 | C13 | S13 | 118.9° | 119.8° |
| C12 | C13 | C14 | 121.7° | 120.6° |
| S13 | C13 | C14 | 119.1° | 119.6° |
| C13 | S13 | H13 | 118.9° | 100.0° |
| C13 | C14 | N15 | 111.3° | 109.4° |
| C13 | C14 | C23 | 105.9° | 109.2° |
| C13 | C14 | H14 | 111.4° | 109.3° |
| N15 | C14 | C23 | 111.6° | 111.0° |
| N15 | C14 | H14 | 105.8° | 109.3° |
| C14 | N15 | C16 | 116.8° | 122.4° |
| C23 | C14 | H14 | 111.1° | 108.7° |
| C14 | C23 | N22 | 107.7° | 109.6° |
| C14 | C23 | H23 | 109.8° | 109.5° |
| N15 | C16 | C17 | 123.3° | 122.6° |
| N15 | C16 | C21 | 119.0° | 120.8° |
| C17 | C16 | C21 | 117.7° | 116.6° |
| C16 | C17 | O17 | 121.7° | 121.5° |
| C16 | C17 | N18 | 119.7° | 116.9° |
| C16 | C21 | N20 | 121.1° | 118.6° |
| C16 | C21 | N22 | 121.6° | 118.2° |
| O17 | C17 | N18 | 118.6° | 121.5° |
| C17 | N18 | C19 | 121.4° | 122.0° |
| N18 | C19 | N19 | 121.3° | 117.7° |
| N18 | C19 | N20 | 119.9° | 124.7° |
| N19 | C19 | N20 | 118.8° | 117.7° |
| C19 | N19 | H191 | 121.3° | 120.0° |
| C19 | N19 | H192 | 108.0° | 120.0° |
| C19 | N20 | C21 | 120.3° | 121.2° |
| H191 | N19 | H192 | 108.0° | 120.0° |
| N20 | C21 | N22 | 117.3° | 123.2° |
| C21 | N22 | C23 | 119.4° | 116.8° |
| C21 | N22 | H22 | 108.7° | 121.6° |
| C23 | N22 | H22 | 108.6° | 121.6° |
| N22 | C23 | H23 | 110.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 116.0° | 120.0° |
| O1B | PB | O2B | O5' | 129.0° | 120.0° |
| O1B | PB | O3B | O5' | 118.9° | 120.0° |
| O1B | PB | O2B | HOB2 | 179.9° | 180.0° |
| O1B | PB | O3B | PA | 177.0° | 60.0° |
| O1B | PB | O5' | C5' | 58.6° | 60.0° |
| O2B | PB | O3B | O5' | 117.9° | 120.0° |
| O2B | PB | O3B | PA | 53.9° | 60.0° |
| O2B | PB | O5' | C5' | 171.4° | 60.0° |
| O3B | PB | O2B | HOB2 | 63.9° | 60.0° |
| PB | O3B | PA | O3A | 156.4° | 180.0° |
| PB | O3B | PA | O1A | 88.4° | 60.0° |
| PB | O3B | PA | O2A | 38.4° | 60.0° |
| O3B | PB | O5' | C5' | 53.6° | 180.0° |
| O5' | PB | O2B | HOB2 | 51.1° | 60.0° |
| O5' | PB | O3B | PA | 64.1° | 180.0° |
| PB | O5' | C5' | C4' | 143.5° | 180.0° |
| PB | O5' | C5' | H5'1 | 18.2° | 60.0° |
| PB | O5' | C5' | H5'2 | 91.2° | 60.0° |
| O3B | PA | O3A | O1A | 115.5° | 120.0° |
| O3B | PA | O3A | O2A | 114.8° | 120.0° |
| O3B | PA | O3A | C10 | 73.7° | 180.0° |
| O3B | PA | O1A | O2A | 122.0° | 120.0° |
| O3B | PA | O2A | HOA2 | 180.0° | 60.0° |
| O3A | PA | O1A | O2A | 127.7° | 120.0° |
| O3A | PA | O2A | HOA2 | 69.0° | 60.0° |
| PA | O3A | C10 | C11 | 178.5° | 180.0° |
| PA | O3A | C10 | H101 | 56.3° | 60.1° |
| PA | O3A | C10 | H102 | 53.2° | 60.0° |
| C10 | O3A | PA | O1A | 170.8° | 60.0° |
| C10 | O3A | PA | O2A | 41.0° | 60.0° |
| O3A | C10 | C11 | H101 | 125.3° | 120.0° |
| O3A | C10 | C11 | H102 | 125.3° | 120.0° |
| O3A | C10 | H101 | H102 | 120.2° | 120.0° |
| O3A | C10 | C11 | O11 | 85.4° | 59.4° |
| O3A | C10 | C11 | C12 | 152.9° | 179.4° |
| O3A | C10 | C11 | H11 | 34.6° | 60.0° |
| O1A | PA | O2A | HOA2 | 57.1° | 180.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
| O5' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
| O5' | C5' | C4' | O4' | 50.2° | 61.5° |
| O5' | C5' | C4' | C3' | 68.4° | 176.9° |
| O5' | C5' | C4' | H4' | 171.8° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 120.0° | 119.9° |
| C5' | C4' | O4' | C3' | 121.0° | 119.0° |
| C5' | C4' | O4' | H4' | 119.2° | 122.2° |
| C5' | C4' | C3' | H4' | 119.2° | 122.3° |
| C5' | C4' | O4' | C1' | 153.3° | 159.5° |
| C5' | C4' | C3' | O3' | 112.4° | 98.4° |
| C5' | C4' | C3' | C2' | 126.1° | 142.9° |
| C5' | C4' | C3' | H3' | 5.5° | 24.2° |
| H5'1 | C5' | C4' | O4' | 175.5° | 178.5° |
| H5'1 | C5' | C4' | C3' | 56.8° | 63.1° |
| H5'1 | C5' | C4' | H4' | 63.0° | 59.2° |
| H5'2 | C5' | C4' | O4' | 75.1° | 58.6° |
| H5'2 | C5' | C4' | C3' | 166.3° | 56.9° |
| H5'2 | C5' | C4' | H4' | 46.5° | 179.2° |
| O4' | C4' | C3' | H4' | 121.6° | 118.8° |
| O4' | C4' | C3' | O3' | 128.3° | 142.8° |
| O4' | C4' | C3' | C2' | 6.8° | 24.1° |
| O4' | C4' | C3' | H3' | 113.8° | 94.7° |
| C4' | O4' | C1' | C2' | 45.3° | 40.5° |
| C4' | O4' | C1' | N9 | 165.5° | 159.3° |
| C4' | O4' | C1' | H1' | 75.5° | 78.4° |
| C3' | C4' | O4' | C1' | 32.3° | 40.5° |
| C4' | C3' | O3' | C2' | 115.6° | 114.7° |
| C4' | C3' | O3' | H3' | 123.5° | 122.6° |
| C4' | C3' | C2' | H3' | 123.4° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 137.3° | 118.8° |
| C4' | C3' | C2' | C1' | 19.6° | 0.1° |
| C4' | C3' | C2' | H2' | 104.7° | 118.6° |
| H4' | C4' | O4' | C1' | 87.5° | 78.3° |
| H4' | C4' | C3' | O3' | 6.7° | 23.9° |
| H4' | C4' | C3' | C2' | 114.7° | 94.8° |
| H4' | C4' | C3' | H3' | 124.7° | 146.5° |
| O4' | C1' | C2' | C3' | 40.0° | 23.9° |
| O4' | C1' | C2' | O2' | 160.2° | 142.6° |
| O4' | C1' | C2' | N9 | 116.7° | 118.9° |
| O4' | C1' | C2' | H1' | 124.1° | 118.9° |
| O4' | C1' | C2' | H2' | 82.0° | 94.7° |
| O4' | C1' | N9 | H1' | 124.3° | 122.3° |
| O4' | C1' | N9 | C8 | 89.7° | 27.0° |
| O4' | C1' | N9 | C4 | 88.7° | 153.0° |
| O3' | C3' | C2' | H3' | 118.1° | 122.6° |
| O3' | C3' | C2' | O2' | 18.8° | 0.1° |
| O3' | C3' | C2' | C1' | 98.8° | 118.8° |
| O3' | C3' | C2' | H2' | 136.8° | 122.7° |
| C2' | C3' | O3' | HO3' | 64.4° | 65.3° |
| C3' | C2' | O2' | C1' | 112.3° | 114.7° |
| C3' | C2' | O2' | H2' | 122.8° | 122.6° |
| C3' | C2' | C1' | H2' | 122.0° | 118.6° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 156.8° | 142.7° |
| C3' | C2' | C1' | H1' | 84.1° | 95.1° |
| H3' | C3' | O3' | HO3' | 56.5° | 57.4° |
| H3' | C3' | C2' | O2' | 99.3° | 122.5° |
| H3' | C3' | C2' | C1' | 143.1° | 118.6° |
| H3' | C3' | C2' | H2' | 18.7° | 0.1° |
| O2' | C2' | C1' | H2' | 117.8° | 122.7° |
| O2' | C2' | C1' | N9 | 83.1° | 98.5° |
| O2' | C2' | C1' | H1' | 36.1° | 23.7° |
| C1' | C2' | O2' | HO2' | 67.7° | 176.2° |
| C2' | C1' | N9 | H1' | 121.4° | 122.2° |
| C2' | C1' | N9 | C8 | 24.6° | 88.5° |
| C2' | C1' | N9 | C4 | 157.0° | 91.6° |
| H2' | C2' | O2' | HO2' | 57.2° | 61.1° |
| H2' | C2' | C1' | N9 | 34.7° | 24.2° |
| H2' | C2' | C1' | H1' | 153.9° | 146.4° |
| C1' | N9 | C8 | C4 | 178.7° | 179.9° |
| C1' | N9 | C8 | N7 | 178.9° | 179.9° |
| C1' | N9 | C8 | H8 | 1.0° | 0.1° |
| C1' | N9 | C4 | C5 | 179.0° | 179.9° |
| C1' | N9 | C4 | N3 | 1.3° | 0.0° |
| H1' | C1' | N9 | C8 | 146.0° | 149.3° |
| H1' | C1' | N9 | C4 | 35.6° | 30.7° |
| N9 | C8 | N7 | H8 | 179.9° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| N9 | C4 | C5 | N3 | 179.7° | 180.0° |
| N9 | C4 | N3 | C2 | 179.6° | 180.0° |
| C8 | N7 | C5 | C6 | 179.7° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| N7 | C5 | C6 | C4 | 179.6° | 180.0° |
| N7 | C5 | C6 | O6 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 179.3° | 179.8° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | C6 | O6 | N1 | 179.5° | 179.8° |
| C5 | C6 | N1 | C2 | 1.4° | 0.5° |
| C5 | C6 | N1 | HN1 | 178.6° | 179.9° |
| C6 | C5 | C4 | N3 | 0.4° | 0.0° |
| C4 | C5 | C6 | O6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.2° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| O6 | C6 | N1 | C2 | 179.1° | 179.8° |
| O6 | C6 | N1 | HN1 | 1.0° | 0.2° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.6° |
| C6 | N1 | C2 | N2 | 179.5° | 179.7° |
| C6 | N1 | C2 | N3 | 2.0° | 0.4° |
| N1 | C2 | N2 | N3 | 178.5° | 179.8° |
| N1 | C2 | N2 | HN21 | 180.0° | 179.8° |
| N1 | C2 | N2 | HN22 | 54.7° | 0.5° |
| N1 | C2 | N3 | C4 | 1.3° | 0.1° |
| HN1 | N1 | C2 | N2 | 0.6° | 0.1° |
| HN1 | N1 | C2 | N3 | 178.0° | 180.0° |
| C2 | N2 | HN21 | HN22 | 125.3° | 179.7° |
| N2 | C2 | N3 | C4 | 179.8° | 180.0° |
| N3 | C2 | N2 | HN21 | 1.4° | 0.0° |
| N3 | C2 | N2 | HN22 | 126.7° | 179.6° |
| C11 | C10 | H101 | H102 | 120.1° | 120.0° |
| C10 | C11 | O11 | C12 | 118.9° | 120.3° |
| C10 | C11 | O11 | H11 | 122.7° | 119.4° |
| C10 | C11 | C12 | H11 | 122.7° | 119.4° |
| C10 | C11 | O11 | C23 | 166.5° | 177.2° |
| C10 | C11 | C12 | S12 | 58.0° | 38.3° |
| C10 | C11 | C12 | C13 | 133.6° | 141.3° |
| H101 | C10 | C11 | O11 | 39.9° | 60.6° |
| H101 | C10 | C11 | C12 | 81.8° | 60.6° |
| H101 | C10 | C11 | H11 | 159.8° | 180.0° |
| H102 | C10 | C11 | O11 | 149.3° | 179.4° |
| H102 | C10 | C11 | C12 | 27.6° | 59.4° |
| H102 | C10 | C11 | H11 | 90.7° | 60.0° |
| O11 | C11 | C12 | H11 | 120.0° | 120.3° |
| O11 | C11 | C12 | S12 | 175.2° | 158.6° |
| O11 | C11 | C12 | C13 | 16.4° | 21.1° |
| C11 | O11 | C23 | C14 | 70.4° | 73.8° |
| C11 | O11 | C23 | N22 | 170.6° | 166.2° |
| C11 | O11 | C23 | H23 | 49.7° | 46.1° |
| C12 | C11 | O11 | C23 | 47.6° | 57.0° |
| C11 | C12 | S12 | C13 | 169.1° | 179.7° |
| C11 | C12 | S12 | H12 | 180.0° | 95.4° |
| C11 | C12 | C13 | S13 | 179.6° | 179.9° |
| C11 | C12 | C13 | C14 | 6.7° | 0.3° |
| H11 | C11 | O11 | C23 | 70.8° | 63.4° |
| H11 | C11 | C12 | S12 | 64.7° | 81.1° |
| H11 | C11 | C12 | C13 | 103.7° | 99.3° |
| O11 | C23 | C14 | C13 | 55.9° | 49.9° |
| O11 | C23 | C14 | N15 | 65.3° | 70.7° |
| O11 | C23 | C14 | N22 | 120.4° | 119.9° |
| O11 | C23 | C14 | H23 | 118.8° | 119.9° |
| O11 | C23 | C14 | H14 | 177.0° | 169.1° |
| O11 | C23 | N22 | C21 | 80.9° | 70.5° |
| O11 | C23 | N22 | H23 | 118.8° | 120.1° |
| O11 | C23 | N22 | H22 | 153.8° | 109.5° |
| S12 | C12 | C13 | S13 | 10.3° | 0.3° |
| S12 | C12 | C13 | C14 | 176.0° | 180.0° |
| C13 | C12 | S12 | H12 | 10.9° | 85.0° |
| C12 | C13 | S13 | C14 | 173.9° | 179.8° |
| C12 | C13 | S13 | H13 | 180.0° | 5.4° |
| C12 | C13 | C14 | N15 | 96.9° | 108.1° |
| C12 | C13 | C14 | C23 | 24.5° | 13.6° |
| C12 | C13 | C14 | H14 | 145.3° | 132.3° |
| S13 | C13 | C14 | N15 | 76.8° | 72.1° |
| S13 | C13 | C14 | C23 | 161.8° | 166.2° |
| S13 | C13 | C14 | H14 | 40.9° | 47.4° |
| C14 | C13 | S13 | H13 | 6.1° | 174.8° |
| C13 | C14 | N15 | C23 | 118.1° | 120.6° |
| C13 | C14 | N15 | H14 | 121.1° | 119.6° |
| C13 | C14 | C23 | H14 | 121.1° | 119.1° |
| C13 | C14 | N15 | C16 | 163.5° | 148.3° |
| C13 | C14 | C23 | N22 | 176.3° | 169.9° |
| C13 | C14 | C23 | H23 | 62.9° | 70.0° |
| N15 | C14 | C23 | H14 | 117.7° | 120.2° |
| C14 | N15 | C16 | C17 | 162.0° | 178.6° |
| C14 | N15 | C16 | C21 | 17.3° | 1.8° |
| N15 | C14 | C23 | N22 | 55.1° | 49.2° |
| N15 | C14 | C23 | H23 | 175.9° | 169.3° |
| C23 | C14 | N15 | C16 | 45.5° | 27.7° |
| C14 | C23 | N22 | C21 | 40.2° | 49.3° |
| C14 | C23 | N22 | H23 | 120.1° | 120.2° |
| C14 | C23 | N22 | H22 | 85.1° | 130.7° |
| H14 | C14 | N15 | C16 | 75.4° | 92.1° |
| H14 | C14 | C23 | N22 | 62.6° | 71.0° |
| H14 | C14 | C23 | H23 | 58.2° | 49.1° |
| N15 | C16 | C17 | C21 | 179.3° | 179.5° |
| N15 | C16 | C17 | O17 | 1.5° | 0.5° |
| N15 | C16 | C17 | N18 | 179.4° | 179.5° |
| N15 | C16 | C21 | N20 | 178.9° | 179.3° |
| N15 | C16 | C21 | N22 | 0.0° | 1.0° |
| C16 | C17 | O17 | N18 | 179.1° | 180.0° |
| C16 | C17 | N18 | C19 | 0.3° | 0.2° |
| C17 | C16 | C21 | N20 | 0.5° | 1.2° |
| C17 | C16 | C21 | N22 | 179.4° | 178.5° |
| C21 | C16 | C17 | O17 | 179.2° | 179.0° |
| C21 | C16 | C17 | N18 | 0.1° | 1.0° |
| C16 | C21 | N20 | C19 | 0.9° | 0.6° |
| C16 | C21 | N20 | N22 | 179.0° | 179.7° |
| C16 | C21 | N22 | C23 | 13.9° | 24.5° |
| C16 | C21 | N22 | H22 | 111.4° | 155.5° |
| O17 | C17 | N18 | C19 | 179.4° | 179.8° |
| C17 | N18 | C19 | N19 | 179.5° | 179.5° |
| C17 | N18 | C19 | N20 | 0.2° | 0.5° |
| N18 | C19 | N19 | N20 | 179.7° | 180.0° |
| N18 | C19 | N19 | H191 | 179.9° | 0.1° |
| N18 | C19 | N19 | H192 | 54.7° | 180.0° |
| N18 | C19 | N20 | C21 | 0.8° | 0.3° |
| C19 | N19 | H191 | H192 | 125.2° | 179.9° |
| N19 | C19 | N20 | C21 | 178.9° | 179.7° |
| N20 | C19 | N19 | H191 | 0.4° | 179.9° |
| N20 | C19 | N19 | H192 | 125.6° | 0.0° |
| C19 | N20 | C21 | N22 | 179.9° | 179.1° |
| N20 | C21 | N22 | C23 | 167.1° | 155.2° |
| N20 | C21 | N22 | H22 | 67.6° | 24.8° |
| C21 | N22 | C23 | H22 | 125.3° | 180.0° |
| C21 | N22 | C23 | H23 | 160.3° | 169.4° |
| H22 | N22 | C23 | H23 | 35.0° | 10.6° |
