FCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.46Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O5B | sing | 1.61Å | 1.55Å | |
| PA | O3P | sing | 1.61Å | 1.66Å | |
| O2A | HO2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.47Å | |
| C5B | C4B | sing | 1.53Å | 1.46Å | |
| C5B | H11 | sing | 1.09Å | 1.11Å | |
| C5B | H12 | sing | 1.09Å | 1.12Å | |
| C4B | O4B | sing | 1.44Å | 1.41Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | H5 | sing | 1.09Å | 1.12Å | |
| O4B | C1B | sing | 1.44Å | 1.39Å | |
| C1B | N9A | sing | 1.47Å | 1.43Å | |
| C1B | C2B | sing | 1.55Å | 1.56Å | |
| C1B | H1' | sing | 1.09Å | 1.12Å | |
| N9A | C4A | sing | 1.37Å | 1.36Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.37Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.40Å | Aromatic |
| C4A | C5A | doub | 1.41Å | 1.40Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.41Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.39Å | Aromatic |
| C2A | H7 | sing | 1.08Å | 1.10Å | |
| N1A | C6A | doub | 1.33Å | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| C6A | C5A | sing | 1.41Å | 1.47Å | Aromatic |
| N6A | HN61 | sing | 0.97Å | 1.02Å | |
| N6A | HN62 | sing | 0.97Å | 1.02Å | |
| C5A | N7A | sing | 1.35Å | 1.36Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.29Å | Aromatic |
| C8A | H8 | sing | 1.08Å | 1.10Å | |
| C2B | O2B | sing | 1.43Å | 1.45Å | |
| C2B | C3B | sing | 1.55Å | 1.52Å | |
| C2B | H111 | sing | 1.09Å | 1.12Å | |
| O2B | H122 | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | H15 | sing | 1.09Å | 1.12Å | |
| O3B | H16 | sing | 0.97Å | 0.95Å | |
| O3P | P | sing | 1.61Å | 1.69Å | |
| P | O1P | doub | 1.48Å | 1.44Å | |
| P | O2P | sing | 1.61Å | 1.47Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.51Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.43Å | 1.37Å | |
| C4' | C3' | sing | 1.53Å | 1.67Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | H3 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.53Å | 1.56Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.48Å | |
| C2' | C1' | sing | 1.53Å | 1.48Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C1' | N10 | sing | 1.47Å | 1.55Å | |
| C1' | H1'1 | sing | 1.09Å | 1.11Å | |
| C1' | H1'2 | sing | 1.09Å | 1.11Å | |
| N10 | C10 | sing | 1.47Å | 1.47Å | |
| N10 | C9A | sing | 1.40Å | 1.48Å | |
| C10 | N1 | sing | 1.46Å | 1.38Å | |
| C10 | C4X | sing | 1.52Å | 1.48Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.34Å | 1.42Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.20Å | |
| C2 | N3 | sing | 1.34Å | 1.39Å | |
| N3 | C4 | sing | 1.46Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | sing | 1.43Å | 1.21Å | |
| C4 | C4X | sing | 1.53Å | 1.62Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4X | N5 | sing | 1.47Å | 1.44Å | |
| C4X | C11 | sing | 1.54Å | 1.61Å | |
| N5 | C5X | sing | 1.40Å | 1.43Å | |
| N5 | C13 | sing | 1.48Å | 1.50Å | |
| C9A | C5X | doub | 1.39Å | 1.49Å | Aromatic |
| C9A | C9 | sing | 1.39Å | 1.44Å | Aromatic |
| C5X | C6 | sing | 1.40Å | 1.51Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C7M | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.38Å | 1.51Å | Aromatic |
| C7M | H7M1 | sing | 1.09Å | 1.12Å | |
| C7M | H7M2 | sing | 1.09Å | 1.12Å | |
| C7M | H7M3 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.55Å | 1.56Å | |
| C11 | H141 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.54Å | 1.59Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H142 | sing | 1.09Å | 1.11Å | |
| C13 | O14 | sing | 1.43Å | 1.47Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| C8M | C8 | sing | 1.51Å | 1.31Å | |
| C8M | H8M1 | sing | 1.09Å | 1.12Å | |
| C8M | H8M2 | sing | 1.09Å | 1.11Å | |
| C8M | H8M3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 122.5° | 109.4° |
| O1A | PA | O5B | 108.7° | 109.5° |
| O1A | PA | O3P | 108.6° | 109.5° |
| O2A | PA | O5B | 109.7° | 109.5° |
| O2A | PA | O3P | 102.4° | 109.5° |
| PA | O2A | HO2 | 122.5° | 106.8° |
| O5B | PA | O3P | 103.1° | 109.5° |
| PA | O5B | C5B | 125.2° | 106.8° |
| PA | O3P | P | 124.9° | 106.8° |
| O5B | C5B | C4B | 106.1° | 109.5° |
| O5B | C5B | H11 | 113.5° | 109.4° |
| O5B | C5B | H12 | 113.4° | 109.5° |
| C4B | C5B | H11 | 113.5° | 109.5° |
| C4B | C5B | H12 | 113.5° | 109.5° |
| C5B | C4B | O4B | 112.2° | 109.9° |
| C5B | C4B | C3B | 116.7° | 109.9° |
| C5B | C4B | H5 | 101.4° | 109.8° |
| H11 | C5B | H12 | 97.0° | 109.4° |
| O4B | C4B | C3B | 107.1° | 107.4° |
| O4B | C4B | H5 | 112.2° | 109.8° |
| C4B | O4B | C1B | 113.1° | 106.9° |
| C3B | C4B | H5 | 107.1° | 109.9° |
| C4B | C3B | C2B | 105.9° | 104.0° |
| C4B | C3B | O3B | 110.5° | 110.8° |
| C4B | C3B | H15 | 111.3° | 110.4° |
| O4B | C1B | N9A | 117.7° | 110.6° |
| O4B | C1B | C2B | 106.4° | 103.5° |
| O4B | C1B | H1' | 109.5° | 110.6° |
| N9A | C1B | C2B | 117.8° | 110.7° |
| N9A | C1B | H1' | 95.3° | 110.6° |
| C1B | N9A | C4A | 127.5° | 126.2° |
| C1B | N9A | C8A | 127.0° | 126.3° |
| C2B | C1B | H1' | 109.4° | 110.7° |
| C1B | C2B | O2B | 118.1° | 110.9° |
| C1B | C2B | C3B | 103.2° | 102.1° |
| C1B | C2B | H111 | 111.1° | 110.9° |
| C4A | N9A | C8A | 105.4° | 107.4° |
| N9A | C4A | N3A | 127.4° | 134.9° |
| N9A | C4A | C5A | 105.4° | 106.0° |
| N9A | C8A | N7A | 114.3° | 110.0° |
| N9A | C8A | H8 | 125.5° | 125.0° |
| N3A | C4A | C5A | 127.2° | 119.1° |
| C4A | N3A | C2A | 114.5° | 120.6° |
| C4A | C5A | C6A | 114.5° | 118.1° |
| C4A | C5A | N7A | 110.4° | 107.1° |
| N3A | C2A | N1A | 123.2° | 122.5° |
| N3A | C2A | H7 | 119.2° | 118.8° |
| N1A | C2A | H7 | 117.7° | 118.7° |
| C2A | N1A | C6A | 120.2° | 121.2° |
| N1A | C6A | N6A | 120.2° | 120.8° |
| N1A | C6A | C5A | 120.4° | 118.5° |
| N6A | C6A | C5A | 119.4° | 120.7° |
| C6A | N6A | HN61 | 108.4° | 120.0° |
| C6A | N6A | HN62 | 120.2° | 120.0° |
| C6A | C5A | N7A | 135.0° | 134.7° |
| HN61 | N6A | HN62 | 108.4° | 120.0° |
| C5A | N7A | C8A | 104.4° | 109.4° |
| N7A | C8A | H8 | 120.2° | 125.0° |
| O2B | C2B | C3B | 116.9° | 110.9° |
| O2B | C2B | H111 | 95.3° | 110.8° |
| C2B | O2B | H122 | 118.1° | 106.8° |
| C3B | C2B | H111 | 112.5° | 111.0° |
| C2B | C3B | O3B | 109.7° | 110.5° |
| C2B | C3B | H15 | 112.0° | 110.5° |
| O3B | C3B | H15 | 107.5° | 110.4° |
| C3B | O3B | H16 | 110.5° | 106.8° |
| O3P | P | O1P | 99.5° | 109.5° |
| O3P | P | O2P | 109.0° | 109.5° |
| O3P | P | O5' | 100.4° | 109.5° |
| O1P | P | O2P | 124.3° | 109.4° |
| O1P | P | O5' | 111.8° | 109.4° |
| O2P | P | O5' | 108.7° | 109.5° |
| P | O2P | H2P | 109.0° | 106.7° |
| P | O5' | C5' | 125.3° | 106.8° |
| O5' | C5' | C4' | 105.0° | 109.4° |
| O5' | C5' | H5'1 | 113.9° | 109.4° |
| O5' | C5' | H5'2 | 113.9° | 109.4° |
| C4' | C5' | H5'1 | 113.9° | 109.5° |
| C4' | C5' | H5'2 | 113.9° | 109.5° |
| C5' | C4' | O4' | 116.4° | 109.5° |
| C5' | C4' | C3' | 104.8° | 109.4° |
| C5' | C4' | H4' | 109.6° | 109.5° |
| H5'1 | C5' | H5'2 | 96.6° | 109.5° |
| O4' | C4' | C3' | 113.7° | 109.5° |
| O4' | C4' | H4' | 99.9° | 109.5° |
| C4' | O4' | H3 | 116.4° | 106.8° |
| C3' | C4' | H4' | 112.6° | 109.4° |
| C4' | C3' | O3' | 109.7° | 109.5° |
| C4' | C3' | C2' | 106.7° | 109.5° |
| C4' | C3' | H3' | 111.6° | 109.4° |
| O3' | C3' | C2' | 111.1° | 109.5° |
| O3' | C3' | H3' | 107.4° | 109.4° |
| C3' | O3' | H2 | 109.7° | 106.8° |
| C2' | C3' | H3' | 110.3° | 109.5° |
| C3' | C2' | O2' | 109.9° | 109.5° |
| C3' | C2' | C1' | 103.0° | 109.5° |
| C3' | C2' | H2' | 113.6° | 109.4° |
| O2' | C2' | C1' | 110.0° | 109.5° |
| O2' | C2' | H2' | 107.0° | 109.5° |
| C2' | O2' | H1 | 109.9° | 106.8° |
| C1' | C2' | H2' | 113.5° | 109.5° |
| C2' | C1' | N10 | 116.5° | 109.5° |
| C2' | C1' | H1'1 | 109.7° | 109.5° |
| C2' | C1' | H1'2 | 109.7° | 109.5° |
| N10 | C1' | H1'1 | 109.6° | 109.5° |
| N10 | C1' | H1'2 | 109.6° | 109.4° |
| C1' | N10 | C10 | 117.3° | 106.7° |
| C1' | N10 | C9A | 120.0° | 106.7° |
| H1'1 | C1' | H1'2 | 100.5° | 109.5° |
| C10 | N10 | C9A | 122.7° | 108.1° |
| N10 | C10 | N1 | 120.5° | 109.1° |
| N10 | C10 | C4X | 113.6° | 108.9° |
| N10 | C10 | H10 | 119.5° | 109.6° |
| N10 | C9A | C5X | 117.2° | 123.4° |
| N10 | C9A | C9 | 124.2° | 116.9° |
| N1 | C10 | C4X | 125.0° | 110.2° |
| N1 | C10 | H10 | 63.7° | 109.6° |
| C10 | N1 | C2 | 122.4° | 122.0° |
| C10 | N1 | HN1 | 107.6° | 119.0° |
| C4X | C10 | H10 | 97.8° | 109.5° |
| C10 | C4X | C4 | 103.2° | 110.3° |
| C10 | C4X | N5 | 123.0° | 111.3° |
| C10 | C4X | C11 | 110.1° | 110.2° |
| C2 | N1 | HN1 | 107.6° | 119.0° |
| N1 | C2 | O2 | 121.4° | 118.7° |
| N1 | C2 | N3 | 112.4° | 122.7° |
| O2 | C2 | N3 | 126.1° | 118.6° |
| C2 | N3 | C4 | 129.3° | 121.2° |
| C2 | N3 | HN3 | 114.5° | 119.4° |
| C4 | N3 | HN3 | 116.2° | 119.4° |
| N3 | C4 | O4 | 125.0° | 109.4° |
| N3 | C4 | C4X | 114.1° | 110.0° |
| N3 | C4 | H4 | 100.3° | 109.4° |
| O4 | C4 | C4X | 120.9° | 109.4° |
| O4 | C4 | H4 | 31.9° | 109.4° |
| C4 | O4 | HO4 | 125.0° | 106.8° |
| C4X | C4 | H4 | 140.5° | 109.1° |
| C4 | C4X | N5 | 111.0° | 110.1° |
| C4 | C4X | C11 | 108.2° | 110.0° |
| N5 | C4X | C11 | 101.0° | 104.8° |
| C4X | N5 | C5X | 118.0° | 109.8° |
| C4X | N5 | C13 | 110.8° | 106.2° |
| C4X | C11 | C12 | 101.7° | 103.0° |
| C4X | C11 | H141 | 115.2° | 110.7° |
| C4X | C11 | H112 | 115.2° | 110.7° |
| C5X | N5 | C13 | 115.7° | 106.1° |
| N5 | C5X | C9A | 121.2° | 124.7° |
| N5 | C5X | C6 | 120.5° | 116.4° |
| N5 | C13 | C12 | 105.2° | 107.2° |
| N5 | C13 | O14 | 103.9° | 110.0° |
| N5 | C13 | H13 | 118.3° | 109.9° |
| C5X | C9A | C9 | 118.5° | 119.7° |
| C9A | C5X | C6 | 118.3° | 118.9° |
| C9A | C9 | C8 | 122.0° | 120.7° |
| C9A | C9 | H9 | 122.3° | 119.7° |
| C5X | C6 | C7 | 121.0° | 121.1° |
| C5X | C6 | H6 | 122.3° | 119.6° |
| C8 | C9 | H9 | 115.7° | 119.7° |
| C9 | C8 | C7 | 124.1° | 119.8° |
| C9 | C8 | C8M | 111.7° | 120.1° |
| C7 | C6 | H6 | 116.7° | 119.3° |
| C6 | C7 | C7M | 118.7° | 120.0° |
| C6 | C7 | C8 | 116.0° | 119.9° |
| C7M | C7 | C8 | 125.3° | 120.1° |
| C7 | C7M | H7M1 | 108.9° | 109.4° |
| C7 | C7M | H7M2 | 118.7° | 109.5° |
| C7 | C7M | H7M3 | 108.9° | 109.5° |
| C7 | C8 | C8M | 124.2° | 120.1° |
| H7M1 | C7M | H7M2 | 108.9° | 109.5° |
| H7M1 | C7M | H7M3 | 101.2° | 109.5° |
| H7M2 | C7M | H7M3 | 108.9° | 109.5° |
| C12 | C11 | H141 | 115.2° | 110.7° |
| C12 | C11 | H112 | 115.2° | 110.7° |
| C11 | C12 | C13 | 103.0° | 105.2° |
| C11 | C12 | H121 | 114.7° | 110.3° |
| C11 | C12 | H142 | 114.7° | 110.3° |
| H141 | C11 | H112 | 95.3° | 110.8° |
| C13 | C12 | H121 | 114.7° | 110.3° |
| C13 | C12 | H142 | 114.7° | 110.3° |
| C12 | C13 | O14 | 116.4° | 109.9° |
| C12 | C13 | H13 | 106.2° | 109.9° |
| H121 | C12 | H142 | 95.8° | 110.4° |
| O14 | C13 | H13 | 107.4° | 109.9° |
| C13 | O14 | H14 | 103.9° | 106.7° |
| C8 | C8M | H8M1 | 111.4° | 109.5° |
| C8 | C8M | H8M2 | 111.7° | 109.5° |
| C8 | C8M | H8M3 | 111.4° | 109.5° |
| H8M1 | C8M | H8M2 | 111.4° | 109.4° |
| H8M1 | C8M | H8M3 | 98.9° | 109.5° |
| H8M2 | C8M | H8M3 | 111.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 129.2° | 120.0° |
| O1A | PA | O2A | O3P | 121.9° | 120.0° |
| O1A | PA | O5B | O3P | 115.1° | 120.0° |
| O1A | PA | O2A | HO2 | 180.0° | 180.0° |
| O1A | PA | O5B | C5B | 179.2° | 55.0° |
| O1A | PA | O3P | P | 45.8° | 45.0° |
| O2A | PA | O5B | O3P | 108.5° | 120.0° |
| O2A | PA | O5B | C5B | 42.8° | 65.0° |
| O2A | PA | O3P | P | 176.7° | 75.0° |
| O5B | PA | O2A | HO2 | 50.8° | 60.0° |
| PA | O5B | C5B | C4B | 136.5° | 180.0° |
| PA | O5B | C5B | H11 | 11.2° | 60.0° |
| PA | O5B | C5B | H12 | 98.2° | 60.0° |
| O5B | PA | O3P | P | 69.4° | 165.0° |
| O3P | PA | O2A | HO2 | 58.1° | 60.0° |
| O3P | PA | O5B | C5B | 65.7° | 175.0° |
| PA | O3P | P | O1P | 156.4° | 40.0° |
| PA | O3P | P | O2P | 24.9° | 80.0° |
| PA | O3P | P | O5' | 89.2° | 160.0° |
| O5B | C5B | C4B | H11 | 125.3° | 120.0° |
| O5B | C5B | C4B | H12 | 125.2° | 120.0° |
| O5B | C5B | H11 | H12 | 119.3° | 120.0° |
| O5B | C5B | C4B | O4B | 164.5° | 66.7° |
| O5B | C5B | C4B | C3B | 71.5° | 175.3° |
| O5B | C5B | C4B | H5 | 44.5° | 54.3° |
| C4B | C5B | H11 | H12 | 119.4° | 120.0° |
| C5B | C4B | O4B | C3B | 129.3° | 119.6° |
| C5B | C4B | O4B | H5 | 113.4° | 120.9° |
| C5B | C4B | C3B | H5 | 112.8° | 120.9° |
| C5B | C4B | O4B | C1B | 137.1° | 146.0° |
| C5B | C4B | C3B | C2B | 120.2° | 121.4° |
| C5B | C4B | C3B | O3B | 121.1° | 119.8° |
| C5B | C4B | C3B | H15 | 1.7° | 2.9° |
| H11 | C5B | C4B | O4B | 70.2° | 53.3° |
| H11 | C5B | C4B | C3B | 53.8° | 64.7° |
| H11 | C5B | C4B | H5 | 169.8° | 174.3° |
| H12 | C5B | C4B | O4B | 39.2° | 173.3° |
| H12 | C5B | C4B | C3B | 163.3° | 55.2° |
| H12 | C5B | C4B | H5 | 80.7° | 65.8° |
| O4B | C4B | C3B | H5 | 120.6° | 119.5° |
| C4B | O4B | C1B | N9A | 153.0° | 158.7° |
| C4B | O4B | C1B | C2B | 18.4° | 40.0° |
| C4B | O4B | C1B | H1' | 99.8° | 78.5° |
| O4B | C4B | C3B | C2B | 6.4° | 1.9° |
| O4B | C4B | C3B | O3B | 112.3° | 120.6° |
| O4B | C4B | C3B | H15 | 128.4° | 116.7° |
| C3B | C4B | O4B | C1B | 7.8° | 26.4° |
| C4B | C3B | C2B | C1B | 16.1° | 21.0° |
| C4B | C3B | C2B | O2B | 147.5° | 139.2° |
| C4B | C3B | C2B | O3B | 119.2° | 119.0° |
| C4B | C3B | C2B | H15 | 121.5° | 118.5° |
| C4B | C3B | C2B | H111 | 103.8° | 97.2° |
| C4B | C3B | O3B | H15 | 121.6° | 122.7° |
| C4B | C3B | O3B | H16 | 180.0° | 176.2° |
| H5 | C4B | O4B | C1B | 109.5° | 93.1° |
| H5 | C4B | C3B | C2B | 127.0° | 117.6° |
| H5 | C4B | C3B | O3B | 8.3° | 1.2° |
| H5 | C4B | C3B | H15 | 111.1° | 123.8° |
| O4B | C1B | N9A | C2B | 129.5° | 114.1° |
| O4B | C1B | N9A | H1' | 115.3° | 122.9° |
| O4B | C1B | C2B | H1' | 118.2° | 118.5° |
| O4B | C1B | N9A | C4A | 104.3° | 156.7° |
| O4B | C1B | N9A | C8A | 74.5° | 23.6° |
| O4B | C1B | C2B | O2B | 151.6° | 155.3° |
| O4B | C1B | C2B | C3B | 20.9° | 37.1° |
| O4B | C1B | C2B | H111 | 99.8° | 81.1° |
| N9A | C1B | C2B | H1' | 107.2° | 123.0° |
| C1B | N9A | C4A | C8A | 179.0° | 179.7° |
| C1B | N9A | C4A | N3A | 0.8° | 0.7° |
| C1B | N9A | C4A | C5A | 179.2° | 179.9° |
| C1B | N9A | C8A | N7A | 179.4° | 180.0° |
| C1B | N9A | C8A | H8 | 0.6° | 0.1° |
| N9A | C1B | C2B | O2B | 73.8° | 86.2° |
| N9A | C1B | C2B | C3B | 155.5° | 155.6° |
| N9A | C1B | C2B | H111 | 34.8° | 37.4° |
| C2B | C1B | N9A | C4A | 126.2° | 89.1° |
| C2B | C1B | N9A | C8A | 55.1° | 90.5° |
| C1B | C2B | O2B | C3B | 124.1° | 112.6° |
| C1B | C2B | O2B | H111 | 117.4° | 123.6° |
| C1B | C2B | C3B | H111 | 119.9° | 118.2° |
| C1B | C2B | O2B | H122 | 180.0° | 180.0° |
| C1B | C2B | C3B | O3B | 103.1° | 97.9° |
| C1B | C2B | C3B | H15 | 137.6° | 139.6° |
| H1' | C1B | N9A | C4A | 11.0° | 33.9° |
| H1' | C1B | N9A | C8A | 170.3° | 146.4° |
| H1' | C1B | C2B | O2B | 33.5° | 36.7° |
| H1' | C1B | C2B | C3B | 97.3° | 81.4° |
| H1' | C1B | C2B | H111 | 142.0° | 160.3° |
| N9A | C4A | N3A | C5A | 180.0° | 179.1° |
| N9A | C4A | N3A | C2A | 179.5° | 179.6° |
| N9A | C4A | C5A | C6A | 179.7° | 179.8° |
| N9A | C4A | C5A | N7A | 0.1° | 0.3° |
| C4A | N9A | C8A | N7A | 0.5° | 0.3° |
| C4A | N9A | C8A | H8 | 179.5° | 179.8° |
| C8A | N9A | C4A | N3A | 179.8° | 179.6° |
| C8A | N9A | C4A | C5A | 0.2° | 0.4° |
| N9A | C8A | N7A | C5A | 0.5° | 0.0° |
| N9A | C8A | N7A | H8 | 180.0° | 179.9° |
| C4A | N3A | C2A | N1A | 0.3° | 0.2° |
| C4A | N3A | C2A | H7 | 179.7° | 179.8° |
| N3A | C4A | C5A | C6A | 0.3° | 0.4° |
| N3A | C4A | C5A | N7A | 180.0° | 179.7° |
| C5A | C4A | N3A | C2A | 0.5° | 0.4° |
| C4A | C5A | C6A | N1A | 0.1° | 0.2° |
| C4A | C5A | C6A | N6A | 179.9° | 179.7° |
| C4A | C5A | C6A | N7A | 179.7° | 179.8° |
| C4A | C5A | N7A | C8A | 0.3° | 0.2° |
| N3A | C2A | N1A | H7 | 180.0° | 180.0° |
| N3A | C2A | N1A | C6A | 0.0° | 0.0° |
| C2A | N1A | C6A | N6A | 180.0° | 180.0° |
| C2A | N1A | C6A | C5A | 0.2° | 0.0° |
| H7 | C2A | N1A | C6A | 180.0° | 180.0° |
| N1A | C6A | N6A | C5A | 179.8° | 179.9° |
| N1A | C6A | N6A | HN61 | 54.7° | 180.0° |
| N1A | C6A | N6A | HN62 | 180.0° | 0.1° |
| N1A | C6A | C5A | N7A | 179.6° | 180.0° |
| C6A | N6A | HN61 | HN62 | 131.9° | 179.9° |
| N6A | C6A | C5A | N7A | 0.2° | 0.1° |
| C5A | C6A | N6A | HN61 | 125.1° | 0.1° |
| C5A | C6A | N6A | HN62 | 0.2° | 180.0° |
| C6A | C5A | N7A | C8A | 179.3° | 180.0° |
| C5A | N7A | C8A | H8 | 179.5° | 180.0° |
| O2B | C2B | C3B | H111 | 108.7° | 123.6° |
| O2B | C2B | C3B | O3B | 28.3° | 20.2° |
| O2B | C2B | C3B | H15 | 91.0° | 102.3° |
| C3B | C2B | O2B | H122 | 55.8° | 67.3° |
| C2B | C3B | O3B | H15 | 122.1° | 122.5° |
| C2B | C3B | O3B | H16 | 63.7° | 61.4° |
| H111 | C2B | O2B | H122 | 62.7° | 56.4° |
| H111 | C2B | C3B | O3B | 137.1° | 143.8° |
| H111 | C2B | C3B | H15 | 17.7° | 21.4° |
| H15 | C3B | O3B | H16 | 58.4° | 61.2° |
| O3P | P | O1P | O2P | 120.9° | 120.0° |
| O3P | P | O1P | O5' | 105.3° | 120.0° |
| O3P | P | O2P | O5' | 108.6° | 120.0° |
| O3P | P | O2P | H2P | 180.0° | 60.0° |
| O3P | P | O5' | C5' | 69.1° | 175.0° |
| O1P | P | O2P | O5' | 134.9° | 119.9° |
| O1P | P | O2P | H2P | 63.5° | 180.0° |
| O1P | P | O5' | C5' | 35.6° | 55.0° |
| O2P | P | O5' | C5' | 176.6° | 65.0° |
| O5' | P | O2P | H2P | 71.5° | 60.0° |
| P | O5' | C5' | C4' | 159.3° | 180.0° |
| P | O5' | C5' | H5'1 | 75.4° | 60.0° |
| P | O5' | C5' | H5'2 | 34.0° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 119.9° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.8° | 120.0° |
| O5' | C5' | C4' | O4' | 55.4° | 65.0° |
| O5' | C5' | C4' | C3' | 178.0° | 175.0° |
| O5' | C5' | C4' | H4' | 57.0° | 55.0° |
| C4' | C5' | H5'1 | H5'2 | 119.8° | 120.1° |
| C5' | C4' | O4' | C3' | 122.0° | 120.0° |
| C5' | C4' | O4' | H4' | 117.9° | 120.1° |
| C5' | C4' | C3' | H4' | 119.1° | 120.0° |
| C5' | C4' | O4' | H3 | 180.0° | 60.0° |
| C5' | C4' | C3' | O3' | 54.5° | 60.0° |
| C5' | C4' | C3' | C2' | 174.9° | 180.0° |
| C5' | C4' | C3' | H3' | 64.4° | 60.0° |
| H5'1 | C5' | C4' | O4' | 179.3° | 175.0° |
| H5'1 | C5' | C4' | C3' | 52.8° | 55.1° |
| H5'1 | C5' | C4' | H4' | 68.3° | 64.9° |
| H5'2 | C5' | C4' | O4' | 69.8° | 54.9° |
| H5'2 | C5' | C4' | C3' | 56.7° | 65.1° |
| H5'2 | C5' | C4' | H4' | 177.7° | 175.0° |
| O4' | C4' | C3' | H4' | 112.8° | 120.0° |
| O4' | C4' | C3' | O3' | 177.4° | 180.0° |
| O4' | C4' | C3' | C2' | 56.9° | 60.0° |
| O4' | C4' | C3' | H3' | 63.7° | 60.0° |
| C3' | C4' | O4' | H3 | 58.0° | 60.0° |
| C4' | C3' | O3' | C2' | 117.8° | 120.0° |
| C4' | C3' | O3' | H3' | 121.5° | 120.0° |
| C4' | C3' | C2' | H3' | 121.5° | 120.0° |
| C4' | C3' | O3' | H2 | 180.0° | 60.1° |
| C4' | C3' | C2' | O2' | 62.6° | 60.0° |
| C4' | C3' | C2' | C1' | 179.8° | 180.0° |
| C4' | C3' | C2' | H2' | 57.1° | 60.0° |
| H4' | C4' | O4' | H3 | 62.2° | 180.0° |
| H4' | C4' | C3' | O3' | 64.6° | 60.0° |
| H4' | C4' | C3' | C2' | 55.8° | 60.0° |
| H4' | C4' | C3' | H3' | 176.5° | 180.0° |
| O3' | C3' | C2' | H3' | 119.0° | 120.0° |
| O3' | C3' | C2' | O2' | 177.8° | 180.0° |
| O3' | C3' | C2' | C1' | 60.6° | 60.0° |
| O3' | C3' | C2' | H2' | 62.5° | 60.0° |
| C2' | C3' | O3' | H2 | 62.2° | 60.0° |
| C3' | C2' | O2' | C1' | 112.7° | 120.0° |
| C3' | C2' | O2' | H2' | 123.7° | 119.9° |
| C3' | C2' | C1' | H2' | 123.2° | 119.9° |
| C3' | C2' | O2' | H1 | 180.0° | 54.2° |
| C3' | C2' | C1' | N10 | 160.5° | 177.0° |
| C3' | C2' | C1' | H1'1 | 74.2° | 63.0° |
| C3' | C2' | C1' | H1'2 | 35.3° | 57.1° |
| H3' | C3' | O3' | H2 | 58.5° | 180.0° |
| H3' | C3' | C2' | O2' | 58.8° | 60.0° |
| H3' | C3' | C2' | C1' | 58.3° | 60.0° |
| H3' | C3' | C2' | H2' | 178.6° | 180.0° |
| O2' | C2' | C1' | H2' | 119.7° | 120.0° |
| O2' | C2' | C1' | N10 | 43.4° | 57.0° |
| O2' | C2' | C1' | H1'1 | 168.7° | 177.0° |
| O2' | C2' | C1' | H1'2 | 81.8° | 62.9° |
| C1' | C2' | O2' | H1 | 67.3° | 65.9° |
| C2' | C1' | N10 | H1'1 | 125.3° | 120.0° |
| C2' | C1' | N10 | H1'2 | 125.3° | 120.0° |
| C2' | C1' | H1'1 | H1'2 | 115.5° | 120.1° |
| C2' | C1' | N10 | C10 | 85.1° | 49.5° |
| C2' | C1' | N10 | C9A | 93.5° | 65.9° |
| H2' | C2' | O2' | H1 | 56.3° | 174.1° |
| H2' | C2' | C1' | N10 | 76.3° | 63.0° |
| H2' | C2' | C1' | H1'1 | 48.9° | 57.0° |
| H2' | C2' | C1' | H1'2 | 158.4° | 177.0° |
| N10 | C1' | H1'1 | H1'2 | 115.4° | 119.9° |
| C1' | N10 | C10 | C9A | 178.6° | 114.4° |
| C1' | N10 | C10 | N1 | 4.8° | 70.7° |
| C1' | N10 | C10 | C4X | 165.4° | 169.0° |
| C1' | N10 | C10 | H10 | 79.8° | 49.3° |
| C1' | N10 | C9A | C5X | 176.6° | 138.3° |
| C1' | N10 | C9A | C9 | 5.2° | 41.8° |
| H1'1 | C1' | N10 | C10 | 40.1° | 70.5° |
| H1'1 | C1' | N10 | C9A | 141.2° | 174.1° |
| H1'2 | C1' | N10 | C10 | 149.6° | 169.5° |
| H1'2 | C1' | N10 | C9A | 31.8° | 54.1° |
| N10 | C10 | N1 | C4X | 169.0° | 119.5° |
| N10 | C10 | N1 | H10 | 110.3° | 119.9° |
| N10 | C10 | C4X | H10 | 127.1° | 119.8° |
| N10 | C10 | N1 | C2 | 170.9° | 144.7° |
| N10 | C10 | N1 | HN1 | 45.7° | 35.2° |
| N10 | C10 | C4X | C4 | 151.1° | 170.1° |
| N10 | C10 | C4X | N5 | 24.9° | 67.4° |
| N10 | C10 | C4X | C11 | 93.7° | 48.4° |
| C10 | N10 | C9A | C5X | 4.9° | 23.9° |
| C10 | N10 | C9A | C9 | 173.3° | 156.3° |
| C9A | N10 | C10 | N1 | 173.8° | 174.9° |
| C9A | N10 | C10 | C4X | 16.0° | 54.6° |
| C9A | N10 | C10 | H10 | 98.7° | 65.2° |
| N10 | C9A | C5X | N5 | 0.6° | 0.3° |
| N10 | C9A | C5X | C9 | 178.3° | 179.8° |
| N10 | C9A | C5X | C6 | 179.8° | 179.3° |
| N10 | C9A | C9 | C8 | 178.8° | 179.7° |
| N10 | C9A | C9 | H9 | 1.2° | 0.2° |
| N1 | C10 | C4X | H10 | 63.2° | 120.6° |
| C10 | N1 | C2 | HN1 | 125.3° | 180.0° |
| C10 | N1 | C2 | O2 | 178.9° | 179.8° |
| C10 | N1 | C2 | N3 | 4.4° | 0.3° |
| N1 | C10 | C4X | C4 | 39.3° | 50.5° |
| N1 | C10 | C4X | N5 | 165.4° | 173.0° |
| N1 | C10 | C4X | C11 | 76.0° | 71.2° |
| C4X | C10 | N1 | C2 | 20.0° | 25.3° |
| C4X | C10 | N1 | HN1 | 145.3° | 154.7° |
| C10 | C4X | C4 | N3 | 37.8° | 52.5° |
| C10 | C4X | C4 | O4 | 144.4° | 172.7° |
| C10 | C4X | C4 | N5 | 133.5° | 123.2° |
| C10 | C4X | C4 | C11 | 116.6° | 121.8° |
| C10 | C4X | C4 | H4 | 110.6° | 67.6° |
| C10 | C4X | N5 | C11 | 122.9° | 119.1° |
| C10 | C4X | N5 | C5X | 21.8° | 41.3° |
| C10 | C4X | N5 | C13 | 158.5° | 155.6° |
| C10 | C4X | C11 | C12 | 174.1° | 155.1° |
| C10 | C4X | C11 | H141 | 60.7° | 36.7° |
| C10 | C4X | C11 | H112 | 48.9° | 86.5° |
| H10 | C10 | N1 | C2 | 60.7° | 95.3° |
| H10 | C10 | N1 | HN1 | 64.6° | 84.7° |
| H10 | C10 | C4X | C4 | 24.0° | 70.1° |
| H10 | C10 | C4X | N5 | 102.2° | 52.4° |
| H10 | C10 | C4X | C11 | 139.2° | 168.2° |
| N1 | C2 | O2 | N3 | 176.2° | 180.0° |
| N1 | C2 | N3 | C4 | 0.7° | 2.5° |
| N1 | C2 | N3 | HN3 | 179.3° | 177.5° |
| HN1 | N1 | C2 | O2 | 55.8° | 0.3° |
| HN1 | N1 | C2 | N3 | 120.9° | 179.7° |
| O2 | C2 | N3 | C4 | 177.2° | 177.5° |
| O2 | C2 | N3 | HN3 | 2.8° | 2.5° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 159.6° | 149.4° |
| C2 | N3 | C4 | C4X | 22.8° | 29.2° |
| C2 | N3 | C4 | H4 | 137.4° | 90.7° |
| N3 | C4 | O4 | C4X | 177.5° | 120.5° |
| N3 | C4 | O4 | H4 | 44.7° | 119.9° |
| N3 | C4 | C4X | H4 | 148.4° | 120.1° |
| N3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| N3 | C4 | C4X | N5 | 171.3° | 175.7° |
| N3 | C4 | C4X | C11 | 78.8° | 69.4° |
| HN3 | N3 | C4 | O4 | 20.4° | 30.5° |
| HN3 | N3 | C4 | C4X | 157.2° | 150.8° |
| HN3 | N3 | C4 | H4 | 42.6° | 89.4° |
| O4 | C4 | C4X | H4 | 33.8° | 119.7° |
| O4 | C4 | C4X | N5 | 10.9° | 64.1° |
| O4 | C4 | C4X | C11 | 98.9° | 50.9° |
| C4X | C4 | O4 | HO4 | 2.5° | 179.4° |
| C4 | C4X | N5 | C11 | 114.5° | 118.2° |
| C4 | C4X | N5 | C5X | 144.5° | 164.0° |
| C4 | C4X | N5 | C13 | 78.9° | 81.7° |
| C4 | C4X | C11 | C12 | 73.8° | 83.0° |
| C4 | C4X | C11 | H141 | 51.4° | 158.6° |
| C4 | C4X | C11 | H112 | 160.9° | 35.4° |
| H4 | C4 | O4 | HO4 | 135.3° | 59.9° |
| H4 | C4 | C4X | N5 | 22.9° | 55.6° |
| H4 | C4 | C4X | C11 | 132.8° | 170.6° |
| C4X | N5 | C5X | C13 | 134.6° | 114.4° |
| C4X | N5 | C5X | C9A | 8.6° | 9.4° |
| C4X | N5 | C5X | C6 | 172.2° | 170.2° |
| N5 | C4X | C11 | C12 | 42.7° | 35.3° |
| N5 | C4X | C11 | H141 | 168.0° | 83.1° |
| N5 | C4X | C11 | H112 | 82.5° | 153.7° |
| C4X | N5 | C13 | C12 | 14.4° | 22.9° |
| C4X | N5 | C13 | O14 | 108.4° | 96.5° |
| C4X | N5 | C13 | H13 | 132.7° | 142.3° |
| C11 | C4X | N5 | C5X | 101.1° | 77.8° |
| C11 | C4X | N5 | C13 | 35.6° | 36.5° |
| C4X | C11 | C12 | H141 | 125.2° | 118.4° |
| C4X | C11 | C12 | H112 | 125.2° | 118.4° |
| C4X | C11 | H141 | H112 | 121.1° | 123.2° |
| C4X | C11 | C12 | C13 | 34.0° | 20.9° |
| C4X | C11 | C12 | H121 | 91.3° | 139.8° |
| C4X | C11 | C12 | H142 | 159.3° | 98.0° |
| N5 | C5X | C9A | C6 | 179.3° | 179.6° |
| N5 | C5X | C9A | C9 | 177.7° | 179.9° |
| N5 | C5X | C6 | C7 | 178.6° | 179.3° |
| N5 | C5X | C6 | H6 | 1.4° | 0.4° |
| C5X | N5 | C13 | C12 | 123.4° | 93.9° |
| C5X | N5 | C13 | O14 | 113.8° | 146.6° |
| C5X | N5 | C13 | H13 | 5.1° | 25.5° |
| C13 | N5 | C5X | C9A | 143.2° | 123.8° |
| C13 | N5 | C5X | C6 | 37.5° | 55.8° |
| N5 | C13 | C12 | C11 | 14.1° | 0.4° |
| N5 | C13 | C12 | O14 | 114.4° | 119.5° |
| N5 | C13 | C12 | H13 | 126.1° | 119.4° |
| N5 | C13 | C12 | H121 | 111.2° | 118.6° |
| N5 | C13 | C12 | H142 | 139.4° | 119.3° |
| N5 | C13 | O14 | H13 | 126.1° | 121.1° |
| N5 | C13 | O14 | H14 | 180.0° | 179.3° |
| C5X | C9A | C9 | C8 | 0.6° | 0.2° |
| C5X | C9A | C9 | H9 | 179.4° | 179.9° |
| C9A | C5X | C6 | C7 | 0.7° | 1.1° |
| C9A | C5X | C6 | H6 | 179.3° | 179.3° |
| C9 | C9A | C5X | C6 | 1.5° | 0.6° |
| C9A | C9 | C8 | H9 | 180.0° | 179.9° |
| C9A | C9 | C8 | C7 | 1.3° | 0.3° |
| C9A | C9 | C8 | C8M | 175.9° | 180.0° |
| C5X | C6 | C7 | H6 | 180.0° | 179.7° |
| C5X | C6 | C7 | C7M | 179.2° | 180.0° |
| C5X | C6 | C7 | C8 | 1.0° | 1.2° |
| C9 | C8 | C7 | C6 | 2.1° | 0.8° |
| C9 | C8 | C7 | C7M | 179.9° | 179.6° |
| C9 | C8 | C7 | C8M | 176.8° | 179.6° |
| C9 | C8 | C8M | H8M1 | 54.7° | 90.1° |
| C9 | C8 | C8M | H8M2 | 180.0° | 150.0° |
| C9 | C8 | C8M | H8M3 | 54.7° | 30.0° |
| H9 | C9 | C8 | C7 | 178.7° | 179.8° |
| H9 | C9 | C8 | C8M | 4.1° | 0.1° |
| C6 | C7 | C7M | C8 | 178.0° | 178.7° |
| C6 | C7 | C7M | H7M1 | 54.7° | 90.0° |
| C6 | C7 | C7M | H7M2 | 180.0° | 150.0° |
| C6 | C7 | C7M | H7M3 | 54.7° | 30.0° |
| C6 | C7 | C8 | C8M | 174.7° | 179.5° |
| H6 | C6 | C7 | C7M | 0.8° | 0.4° |
| H6 | C6 | C7 | C8 | 179.0° | 179.1° |
| C7 | C7M | H7M1 | H7M2 | 130.8° | 120.0° |
| C7 | C7M | H7M1 | H7M3 | 114.6° | 120.0° |
| C7 | C7M | H7M2 | H7M3 | 125.3° | 120.0° |
| C7M | C7 | C8 | C8M | 3.3° | 0.8° |
| C8 | C7 | C7M | H7M1 | 123.2° | 91.3° |
| C8 | C7 | C7M | H7M2 | 2.1° | 28.7° |
| C8 | C7 | C7M | H7M3 | 127.3° | 148.7° |
| C7 | C8 | C8M | H8M1 | 128.1° | 90.3° |
| C7 | C8 | C8M | H8M2 | 2.9° | 29.6° |
| C7 | C8 | C8M | H8M3 | 122.4° | 149.7° |
| H7M1 | C7M | H7M2 | H7M3 | 109.5° | 120.0° |
| C12 | C11 | H141 | H112 | 121.1° | 123.2° |
| C11 | C12 | C13 | H121 | 125.3° | 119.0° |
| C11 | C12 | C13 | H142 | 125.3° | 118.9° |
| C11 | C12 | H121 | H142 | 120.6° | 122.1° |
| C11 | C12 | C13 | O14 | 128.5° | 119.1° |
| C11 | C12 | C13 | H13 | 112.0° | 119.8° |
| H141 | C11 | C12 | C13 | 159.2° | 97.5° |
| H141 | C11 | C12 | H121 | 34.0° | 21.4° |
| H141 | C11 | C12 | H142 | 75.5° | 143.6° |
| H112 | C11 | C12 | C13 | 91.3° | 139.2° |
| H112 | C11 | C12 | H121 | 143.5° | 101.8° |
| H112 | C11 | C12 | H142 | 34.0° | 20.4° |
| C13 | C12 | H121 | H142 | 120.6° | 122.1° |
| C12 | C13 | O14 | H13 | 118.8° | 121.1° |
| C12 | C13 | O14 | H14 | 64.9° | 61.5° |
| H121 | C12 | C13 | O14 | 3.2° | 121.9° |
| H121 | C12 | C13 | H13 | 122.7° | 0.8° |
| H142 | C12 | C13 | O14 | 106.2° | 0.3° |
| H142 | C12 | C13 | H13 | 13.3° | 121.4° |
| H13 | C13 | O14 | H14 | 53.9° | 59.6° |
| C8 | C8M | H8M1 | H8M2 | 125.4° | 120.0° |
| C8 | C8M | H8M1 | H8M3 | 117.3° | 120.0° |
| C8 | C8M | H8M2 | H8M3 | 125.3° | 120.0° |
| H8M1 | C8M | H8M2 | H8M3 | 109.4° | 120.0° |
