UJG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.56Å | |
| PA | O2A | sing | 1.61Å | 1.45Å | |
| PA | O5B | sing | 1.61Å | 1.49Å | |
| PA | O3P | sing | 1.61Å | 1.50Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C4B | O4B | sing | 1.44Å | 1.41Å | |
| C4B | C3B | sing | 1.54Å | 1.50Å | |
| O4B | C1B | sing | 1.44Å | 1.40Å | |
| C3B | O3B | sing | 1.43Å | 1.36Å | |
| C3B | C2B | sing | 1.55Å | 1.47Å | |
| C2B | O2B | sing | 1.43Å | 1.39Å | |
| C2B | C1B | sing | 1.55Å | 1.48Å | |
| C1B | N9A | sing | 1.46Å | 1.45Å | |
| N9A | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.41Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.34Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.39Å | Aromatic |
| C5A | C6A | doub | 1.40Å | 1.38Å | Aromatic |
| C5A | C4A | sing | 1.40Å | 1.43Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.44Å | |
| C6A | N1A | sing | 1.33Å | 1.34Å | Aromatic |
| N1A | C2A | doub | 1.32Å | 1.36Å | Aromatic |
| C2A | N3A | sing | 1.32Å | 1.37Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.43Å | |
| N1 | C10 | sing | 1.38Å | 1.45Å | |
| C2 | O2 | doub | 1.22Å | 1.36Å | |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C4 | sing | 1.35Å | 1.40Å | |
| C4 | O4 | doub | 1.22Å | 1.37Å | |
| C4 | C4X | sing | 1.40Å | 1.51Å | |
| C4X | N5 | sing | 1.42Å | 1.46Å | |
| C4X | C10 | doub | 1.37Å | 1.38Å | |
| N5 | C5X | sing | 1.40Å | 1.47Å | |
| C5X | C6 | doub | 1.38Å | 1.49Å | Aromatic |
| C5X | C9A | sing | 1.40Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C7M | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | C8M | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C9A | doub | 1.38Å | 1.49Å | Aromatic |
| C9A | N10 | sing | 1.40Å | 1.45Å | |
| N10 | C10 | sing | 1.38Å | 1.44Å | |
| N10 | C1' | sing | 1.46Å | 1.47Å | |
| C1' | C2' | sing | 1.53Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.38Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.38Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.43Å | 1.40Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| P | O1P | doub | 1.48Å | 1.58Å | |
| P | O2P | sing | 1.61Å | 1.58Å | |
| P | O3P | sing | 1.61Å | 1.65Å | |
| C01 | C02 | sing | 1.52Å | 1.53Å | |
| C01 | C05 | sing | 1.54Å | 1.50Å | |
| C02 | C03 | sing | 1.54Å | 1.52Å | |
| C03 | S04 | sing | 1.84Å | 1.81Å | |
| C05 | S04 | sing | 1.84Å | 1.79Å | |
| N5 | C03 | sing | 1.46Å | 1.81Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| C5B | H2 | sing | 1.09Å | 1.10Å | |
| C5B | H3 | sing | 1.09Å | 1.10Å | |
| C4B | H4 | sing | 1.09Å | 1.10Å | |
| C3B | H5 | sing | 1.09Å | 1.10Å | |
| O3B | H6 | sing | 0.97Å | 0.95Å | |
| C2B | H7 | sing | 1.09Å | 1.10Å | |
| O2B | H8 | sing | 0.97Å | 0.95Å | |
| C1B | H9 | sing | 1.09Å | 1.10Å | |
| C8A | H10 | sing | 1.08Å | 1.08Å | |
| N6A | H11 | sing | 0.97Å | 1.00Å | |
| N6A | H12 | sing | 0.97Å | 1.00Å | |
| C2A | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C7M | H17 | sing | 1.09Å | 1.10Å | |
| C7M | H18 | sing | 1.09Å | 1.10Å | |
| C7M | H19 | sing | 1.09Å | 1.10Å | |
| C8M | H20 | sing | 1.09Å | 1.10Å | |
| C8M | H21 | sing | 1.09Å | 1.10Å | |
| C8M | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| C1' | H24 | sing | 1.09Å | 1.10Å | |
| C1' | H25 | sing | 1.09Å | 1.10Å | |
| C2' | H26 | sing | 1.09Å | 1.10Å | |
| O2' | H27 | sing | 0.97Å | 0.95Å | |
| C3' | H28 | sing | 1.09Å | 1.10Å | |
| O3' | H29 | sing | 0.97Å | 0.95Å | |
| C4' | H30 | sing | 1.09Å | 1.10Å | |
| O4' | H31 | sing | 0.97Å | 0.95Å | |
| C5' | H32 | sing | 1.09Å | 1.10Å | |
| C5' | H33 | sing | 1.09Å | 1.10Å | |
| O2P | H34 | sing | 0.97Å | 0.95Å | |
| C01 | H35 | sing | 1.09Å | 1.10Å | |
| C01 | H36 | sing | 1.09Å | 1.10Å | |
| C02 | H37 | sing | 1.09Å | 1.10Å | |
| C02 | H38 | sing | 1.09Å | 1.10Å | |
| C03 | H39 | sing | 1.09Å | 1.10Å | |
| C05 | H40 | sing | 1.09Å | 1.10Å | |
| C05 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 118.1° | 109.4° |
| O1A | PA | O5B | 115.0° | 109.5° |
| O1A | PA | O3P | 122.6° | 109.5° |
| O2A | PA | O5B | 97.7° | 109.5° |
| O2A | PA | O3P | 95.5° | 109.5° |
| PA | O2A | H1 | 109.5° | 114.0° |
| O5B | PA | O3P | 103.6° | 109.4° |
| PA | O5B | C5B | 126.6° | 123.0° |
| PA | O3P | P | 132.6° | 134.0° |
| O5B | C5B | C4B | 107.5° | 109.5° |
| O5B | C5B | H2 | 110.0° | 109.4° |
| O5B | C5B | H3 | 110.0° | 109.5° |
| C5B | C4B | O4B | 114.8° | 109.9° |
| C5B | C4B | C3B | 115.7° | 109.9° |
| C4B | C5B | H2 | 109.9° | 109.5° |
| C4B | C5B | H3 | 110.0° | 109.5° |
| C5B | C4B | H4 | 106.8° | 109.8° |
| O4B | C4B | C3B | 103.9° | 107.3° |
| C4B | O4B | C1B | 108.3° | 107.0° |
| O4B | C4B | H4 | 108.2° | 109.9° |
| C4B | C3B | O3B | 113.1° | 110.5° |
| C4B | C3B | C2B | 101.9° | 104.2° |
| C3B | C4B | H4 | 107.1° | 110.0° |
| C4B | C3B | H5 | 109.1° | 110.5° |
| O4B | C1B | C2B | 108.0° | 103.5° |
| O4B | C1B | N9A | 110.9° | 110.6° |
| O4B | C1B | H9 | 109.3° | 110.6° |
| O3B | C3B | C2B | 111.7° | 110.5° |
| O3B | C3B | H5 | 111.1° | 110.4° |
| C3B | O3B | H6 | 109.5° | 114.1° |
| C3B | C2B | O2B | 111.5° | 110.9° |
| C3B | C2B | C1B | 102.3° | 102.1° |
| C2B | C3B | H5 | 109.5° | 110.6° |
| C3B | C2B | H7 | 110.4° | 110.9° |
| O2B | C2B | C1B | 110.2° | 110.9° |
| O2B | C2B | H7 | 111.8° | 110.8° |
| C2B | O2B | H8 | 109.5° | 114.0° |
| C2B | C1B | N9A | 111.9° | 110.7° |
| C1B | C2B | H7 | 110.3° | 110.9° |
| C2B | C1B | H9 | 108.1° | 110.6° |
| C1B | N9A | C8A | 129.1° | 126.3° |
| C1B | N9A | C4A | 122.7° | 126.3° |
| N9A | C1B | H9 | 108.5° | 110.6° |
| C8A | N9A | C4A | 108.1° | 107.4° |
| N9A | C8A | N7A | 109.2° | 109.9° |
| N9A | C8A | H10 | 125.4° | 125.0° |
| N9A | C4A | C5A | 105.7° | 106.0° |
| N9A | C4A | N3A | 134.5° | 134.9° |
| C8A | N7A | C5A | 109.5° | 109.5° |
| N7A | C8A | H10 | 125.4° | 125.1° |
| N7A | C5A | C6A | 134.1° | 134.6° |
| N7A | C5A | C4A | 107.5° | 107.1° |
| C6A | C5A | C4A | 118.4° | 118.2° |
| C5A | C6A | N6A | 119.9° | 120.8° |
| C5A | C6A | N1A | 119.7° | 118.4° |
| C5A | C4A | N3A | 119.8° | 119.1° |
| N6A | C6A | N1A | 120.4° | 120.7° |
| C6A | N6A | H11 | 109.5° | 120.0° |
| C6A | N6A | H12 | 109.5° | 120.0° |
| C6A | N1A | C2A | 121.7° | 121.2° |
| N1A | C2A | N3A | 120.3° | 122.5° |
| N1A | C2A | H13 | 119.8° | 118.8° |
| C2A | N3A | C4A | 120.0° | 120.6° |
| N3A | C2A | H13 | 119.9° | 118.7° |
| C2 | N1 | C10 | 119.8° | 120.2° |
| N1 | C2 | O2 | 119.6° | 119.4° |
| N1 | C2 | N3 | 120.9° | 121.2° |
| C2 | N1 | H14 | 120.1° | 119.9° |
| N1 | C10 | C4X | 120.3° | 119.3° |
| N1 | C10 | N10 | 118.4° | 120.4° |
| C10 | N1 | H14 | 120.1° | 119.9° |
| O2 | C2 | N3 | 119.5° | 119.4° |
| C2 | N3 | C4 | 119.9° | 120.6° |
| C2 | N3 | H15 | 120.1° | 119.7° |
| N3 | C4 | O4 | 118.2° | 120.3° |
| N3 | C4 | C4X | 120.1° | 119.4° |
| C4 | N3 | H15 | 120.0° | 119.7° |
| O4 | C4 | C4X | 121.7° | 120.3° |
| C4 | C4X | N5 | 121.9° | 120.6° |
| C4 | C4X | C10 | 119.0° | 119.4° |
| N5 | C4X | C10 | 119.1° | 120.0° |
| C4X | N5 | C5X | 117.2° | 118.7° |
| C4X | N5 | C03 | 104.9° | 120.7° |
| C4X | C10 | N10 | 121.2° | 120.3° |
| N5 | C5X | C6 | 119.4° | 120.8° |
| N5 | C5X | C9A | 121.1° | 119.1° |
| C5X | N5 | C03 | 90.9° | 120.7° |
| C6 | C5X | C9A | 119.6° | 120.0° |
| C5X | C6 | C7 | 120.0° | 119.8° |
| C5X | C6 | H16 | 120.0° | 120.1° |
| C5X | C9A | C9 | 120.6° | 119.9° |
| C5X | C9A | N10 | 119.3° | 119.5° |
| C6 | C7 | C7M | 119.2° | 119.9° |
| C6 | C7 | C8 | 120.4° | 120.2° |
| C7 | C6 | H16 | 120.0° | 120.2° |
| C7M | C7 | C8 | 120.4° | 119.9° |
| C7 | C7M | H17 | 109.5° | 109.5° |
| C7 | C7M | H18 | 109.5° | 109.5° |
| C7 | C7M | H19 | 109.5° | 109.4° |
| C7 | C8 | C8M | 120.4° | 119.9° |
| C7 | C8 | C9 | 119.9° | 120.3° |
| C8M | C8 | C9 | 119.7° | 119.9° |
| C8 | C8M | H20 | 109.5° | 109.5° |
| C8 | C8M | H21 | 109.5° | 109.5° |
| C8 | C8M | H22 | 109.4° | 109.5° |
| C8 | C9 | C9A | 119.5° | 119.8° |
| C8 | C9 | H23 | 120.3° | 120.1° |
| C9 | C9A | N10 | 120.1° | 120.6° |
| C9A | C9 | H23 | 120.3° | 120.1° |
| C9A | N10 | C10 | 118.4° | 119.6° |
| C9A | N10 | C1' | 122.0° | 120.2° |
| C10 | N10 | C1' | 119.6° | 120.2° |
| N10 | C1' | C2' | 110.3° | 109.5° |
| N10 | C1' | H24 | 109.3° | 109.5° |
| N10 | C1' | H25 | 109.2° | 109.5° |
| C1' | C2' | O2' | 109.5° | 109.4° |
| C1' | C2' | C3' | 112.0° | 109.5° |
| C2' | C1' | H24 | 109.3° | 109.5° |
| C2' | C1' | H25 | 109.3° | 109.5° |
| C1' | C2' | H26 | 108.2° | 109.5° |
| O2' | C2' | C3' | 109.0° | 109.5° |
| O2' | C2' | H26 | 110.1° | 109.5° |
| C2' | O2' | H27 | 109.5° | 114.0° |
| C2' | C3' | O3' | 109.8° | 109.5° |
| C2' | C3' | C4' | 116.1° | 109.5° |
| C3' | C2' | H26 | 108.0° | 109.5° |
| C2' | C3' | H28 | 107.3° | 109.4° |
| O3' | C3' | C4' | 106.7° | 109.5° |
| O3' | C3' | H28 | 109.3° | 109.5° |
| C3' | O3' | H29 | 109.5° | 114.0° |
| C3' | C4' | O4' | 112.7° | 109.5° |
| C3' | C4' | C5' | 110.5° | 109.5° |
| C4' | C3' | H28 | 107.5° | 109.4° |
| C3' | C4' | H30 | 106.7° | 109.4° |
| O4' | C4' | C5' | 111.4° | 109.5° |
| O4' | C4' | H30 | 108.3° | 109.5° |
| C4' | O4' | H31 | 109.5° | 114.0° |
| C4' | C5' | O5' | 112.2° | 109.4° |
| C5' | C4' | H30 | 106.8° | 109.5° |
| C4' | C5' | H32 | 108.8° | 109.5° |
| C4' | C5' | H33 | 108.8° | 109.5° |
| C5' | O5' | P | 118.3° | 123.0° |
| O5' | C5' | H32 | 108.8° | 109.5° |
| O5' | C5' | H33 | 108.8° | 109.5° |
| O5' | P | O1P | 116.5° | 109.5° |
| O5' | P | O2P | 98.9° | 109.5° |
| O5' | P | O3P | 99.9° | 109.5° |
| O1P | P | O2P | 117.7° | 109.5° |
| O1P | P | O3P | 118.6° | 109.4° |
| O2P | P | O3P | 101.9° | 109.5° |
| P | O2P | H34 | 109.5° | 114.0° |
| C02 | C01 | C05 | 109.4° | 112.6° |
| C01 | C02 | C03 | 110.6° | 112.6° |
| C02 | C01 | H35 | 109.5° | 108.9° |
| C02 | C01 | H36 | 109.5° | 108.8° |
| C01 | C02 | H37 | 109.2° | 108.9° |
| C01 | C02 | H38 | 109.2° | 108.8° |
| C01 | C05 | S04 | 104.9° | 102.6° |
| C05 | C01 | H35 | 109.5° | 108.9° |
| C05 | C01 | H36 | 109.5° | 108.9° |
| C01 | C05 | H40 | 110.6° | 110.8° |
| C01 | C05 | H41 | 110.6° | 110.8° |
| C02 | C03 | S04 | 106.9° | 102.6° |
| C02 | C03 | N5 | 94.5° | 110.8° |
| C03 | C02 | H37 | 109.2° | 108.9° |
| C03 | C02 | H38 | 109.2° | 108.9° |
| C02 | C03 | H39 | 109.7° | 110.8° |
| C03 | S04 | C05 | 92.4° | 94.8° |
| S04 | C03 | N5 | 131.1° | 110.8° |
| S04 | C03 | H39 | 106.5° | 111.0° |
| S04 | C05 | H40 | 110.6° | 110.8° |
| S04 | C05 | H41 | 110.6° | 110.8° |
| N5 | C03 | H39 | 106.5° | 110.7° |
| H2 | C5B | H3 | 109.5° | 109.5° |
| H11 | N6A | H12 | 109.5° | 120.0° |
| H17 | C7M | H18 | 109.5° | 109.5° |
| H17 | C7M | H19 | 109.5° | 109.5° |
| H18 | C7M | H19 | 109.5° | 109.4° |
| H20 | C8M | H21 | 109.4° | 109.4° |
| H20 | C8M | H22 | 109.5° | 109.4° |
| H21 | C8M | H22 | 109.5° | 109.5° |
| H24 | C1' | H25 | 109.5° | 109.4° |
| H32 | C5' | H33 | 109.5° | 109.5° |
| H35 | C01 | H36 | 109.5° | 108.7° |
| H37 | C02 | H38 | 109.5° | 108.7° |
| H40 | C05 | H41 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 123.7° | 120.0° |
| O1A | PA | O2A | O3P | 131.7° | 120.0° |
| O1A | PA | O5B | O3P | 136.4° | 120.0° |
| O1A | PA | O5B | C5B | 169.9° | 55.0° |
| O1A | PA | O3P | P | 50.3° | 40.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| O2A | PA | O5B | O3P | 97.6° | 120.0° |
| O2A | PA | O5B | C5B | 44.0° | 65.0° |
| O2A | PA | O3P | P | 178.9° | 80.0° |
| PA | O5B | C5B | C4B | 165.9° | 180.0° |
| O5B | PA | O3P | P | 81.8° | 160.0° |
| O5B | PA | O2A | H1 | 123.7° | 60.0° |
| PA | O5B | C5B | H2 | 74.4° | 60.0° |
| PA | O5B | C5B | H3 | 46.2° | 60.0° |
| O3P | PA | O5B | C5B | 53.6° | 175.0° |
| PA | O3P | P | O5' | 92.2° | 160.0° |
| PA | O3P | P | O1P | 140.1° | 40.0° |
| PA | O3P | P | O2P | 9.1° | 80.0° |
| O3P | PA | O2A | H1 | 131.7° | 60.0° |
| O5B | C5B | C4B | H2 | 119.7° | 120.0° |
| O5B | C5B | C4B | H3 | 119.7° | 120.0° |
| O5B | C5B | C4B | O4B | 62.9° | 66.5° |
| O5B | C5B | C4B | C3B | 176.2° | 175.7° |
| O5B | C5B | H2 | H3 | 120.9° | 120.0° |
| O5B | C5B | C4B | H4 | 57.0° | 54.6° |
| C5B | C4B | O4B | C3B | 127.2° | 119.4° |
| C5B | C4B | O4B | H4 | 119.1° | 121.0° |
| C5B | C4B | C3B | H4 | 118.9° | 121.1° |
| C5B | C4B | O4B | C1B | 152.9° | 145.9° |
| C5B | C4B | C3B | O3B | 74.6° | 119.9° |
| C5B | C4B | C3B | C2B | 165.3° | 121.4° |
| C4B | C5B | H2 | H3 | 120.9° | 120.0° |
| C5B | C4B | C3B | H5 | 49.6° | 2.6° |
| O4B | C4B | C3B | H4 | 114.4° | 119.5° |
| O4B | C4B | C3B | O3B | 158.7° | 120.7° |
| O4B | C4B | C3B | C2B | 38.6° | 2.0° |
| C4B | O4B | C1B | C2B | 2.6° | 40.0° |
| C4B | O4B | C1B | N9A | 125.6° | 158.6° |
| O4B | C4B | C5B | H2 | 56.8° | 53.5° |
| O4B | C4B | C5B | H3 | 177.4° | 173.5° |
| O4B | C4B | C3B | H5 | 77.1° | 116.8° |
| C4B | O4B | C1B | H9 | 114.8° | 78.5° |
| C3B | C4B | O4B | C1B | 25.6° | 26.5° |
| C4B | C3B | O3B | C2B | 114.3° | 114.8° |
| C4B | C3B | O3B | H5 | 123.1° | 122.6° |
| C4B | C3B | C2B | H5 | 115.4° | 118.7° |
| C4B | C3B | C2B | O2B | 81.8° | 139.1° |
| C4B | C3B | C2B | C1B | 36.0° | 20.9° |
| C3B | C4B | C5B | H2 | 64.2° | 64.3° |
| C3B | C4B | C5B | H3 | 56.4° | 55.7° |
| C4B | C3B | O3B | H6 | 180.0° | 180.0° |
| C4B | C3B | C2B | H7 | 153.3° | 97.3° |
| O4B | C1B | C2B | C3B | 21.8° | 37.0° |
| O4B | C1B | C2B | O2B | 96.9° | 155.2° |
| O4B | C1B | C2B | N9A | 122.4° | 118.5° |
| O4B | C1B | C2B | H9 | 118.1° | 118.5° |
| O4B | C1B | N9A | H9 | 120.1° | 122.9° |
| O4B | C1B | N9A | C8A | 57.0° | 23.7° |
| O4B | C1B | N9A | C4A | 122.9° | 156.8° |
| C1B | O4B | C4B | H4 | 88.0° | 93.1° |
| O4B | C1B | C2B | H7 | 139.2° | 81.2° |
| O3B | C3B | C2B | H5 | 123.6° | 122.6° |
| O3B | C3B | C2B | O2B | 39.3° | 20.4° |
| O3B | C3B | C2B | C1B | 157.0° | 97.8° |
| O3B | C3B | C4B | H4 | 44.3° | 1.2° |
| O3B | C3B | C2B | H7 | 85.6° | 143.9° |
| C3B | C2B | O2B | C1B | 112.9° | 112.7° |
| C3B | C2B | O2B | H7 | 124.2° | 123.6° |
| C3B | C2B | C1B | H7 | 117.5° | 118.2° |
| C3B | C2B | C1B | N9A | 100.6° | 155.6° |
| C2B | C3B | C4B | H4 | 75.8° | 117.5° |
| C2B | C3B | O3B | H6 | 65.7° | 65.2° |
| C3B | C2B | O2B | H8 | 180.0° | 61.5° |
| C3B | C2B | C1B | H9 | 139.9° | 81.5° |
| O2B | C2B | C1B | H7 | 123.8° | 123.6° |
| O2B | C2B | C1B | N9A | 140.7° | 86.3° |
| O2B | C2B | C3B | H5 | 162.8° | 102.2° |
| O2B | C2B | C1B | H9 | 21.2° | 36.7° |
| C2B | C1B | N9A | H9 | 119.2° | 123.0° |
| C2B | C1B | N9A | C8A | 63.7° | 90.4° |
| C2B | C1B | N9A | C4A | 116.4° | 89.1° |
| C1B | C2B | C3B | H5 | 79.4° | 139.6° |
| C1B | C2B | O2B | H8 | 67.1° | 174.2° |
| C1B | N9A | C8A | C4A | 179.9° | 179.6° |
| C1B | N9A | C8A | N7A | 179.8° | 180.0° |
| C1B | N9A | C4A | C5A | 180.0° | 179.9° |
| C1B | N9A | C4A | N3A | 0.5° | 0.8° |
| N9A | C1B | C2B | H7 | 16.9° | 37.3° |
| C1B | N9A | C8A | H10 | 0.2° | 0.2° |
| N9A | C8A | N7A | H10 | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 0.2° | 0.1° |
| C8A | N9A | C4A | C5A | 0.1° | 0.4° |
| C8A | N9A | C4A | N3A | 179.6° | 179.5° |
| C8A | N9A | C1B | H9 | 177.1° | 146.6° |
| C4A | N9A | C8A | N7A | 0.1° | 0.3° |
| N9A | C4A | C5A | N7A | 0.3° | 0.4° |
| N9A | C4A | C5A | C6A | 179.7° | 179.8° |
| N9A | C4A | C5A | N3A | 179.6° | 179.3° |
| N9A | C4A | N3A | C2A | 179.8° | 179.6° |
| C4A | N9A | C1B | H9 | 2.8° | 33.8° |
| C4A | N9A | C8A | H10 | 180.0° | 179.8° |
| C8A | N7A | C5A | C6A | 179.6° | 180.0° |
| C8A | N7A | C5A | C4A | 0.3° | 0.2° |
| N7A | C5A | C6A | C4A | 179.3° | 179.8° |
| N7A | C5A | C6A | N6A | 0.1° | 0.0° |
| N7A | C5A | C6A | N1A | 180.0° | 180.0° |
| N7A | C5A | C4A | N3A | 179.8° | 179.7° |
| C5A | N7A | C8A | H10 | 179.8° | 179.9° |
| C5A | C6A | N6A | N1A | 179.9° | 180.0° |
| C5A | C6A | N1A | C2A | 0.5° | 0.0° |
| C6A | C5A | C4A | N3A | 0.7° | 0.5° |
| C5A | C6A | N6A | H11 | 179.9° | 0.0° |
| C5A | C6A | N6A | H12 | 59.9° | 180.0° |
| C4A | C5A | C6A | N6A | 179.2° | 179.7° |
| C4A | C5A | C6A | N1A | 0.8° | 0.3° |
| C5A | C4A | N3A | C2A | 0.4° | 0.5° |
| N6A | C6A | N1A | C2A | 179.4° | 180.0° |
| C6A | N6A | H11 | H12 | 120.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.2° | 0.1° |
| N1A | C6A | N6A | H11 | 0.0° | 180.0° |
| N1A | C6A | N6A | H12 | 120.0° | 0.0° |
| C6A | N1A | C2A | H13 | 179.9° | 180.0° |
| N1A | C2A | N3A | H13 | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.1° | 0.3° |
| C4A | N3A | C2A | H13 | 179.9° | 179.7° |
| C2 | N1 | C10 | H14 | 180.0° | 179.7° |
| N1 | C2 | O2 | N3 | 179.7° | 179.9° |
| N1 | C2 | N3 | C4 | 0.4° | 0.1° |
| C2 | N1 | C10 | C4X | 0.1° | 0.1° |
| C2 | N1 | C10 | N10 | 177.4° | 179.9° |
| N1 | C2 | N3 | H15 | 179.6° | 180.0° |
| C10 | N1 | C2 | O2 | 179.7° | 180.0° |
| C10 | N1 | C2 | N3 | 0.0° | 0.0° |
| N1 | C10 | C4X | C4 | 0.1° | 0.2° |
| N1 | C10 | C4X | N5 | 179.7° | 179.9° |
| N1 | C10 | C4X | N10 | 177.2° | 180.0° |
| N1 | C10 | N10 | C9A | 163.8° | 166.2° |
| N1 | C10 | N10 | C1' | 13.6° | 13.8° |
| O2 | C2 | N3 | C4 | 179.3° | 180.0° |
| O2 | C2 | N1 | H14 | 0.3° | 0.3° |
| O2 | C2 | N3 | H15 | 0.7° | 0.1° |
| C2 | N3 | C4 | H15 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.7° | 180.0° |
| C2 | N3 | C4 | C4X | 0.6° | 0.0° |
| N3 | C2 | N1 | H14 | 180.0° | 179.7° |
| N3 | C4 | O4 | C4X | 179.1° | 180.0° |
| N3 | C4 | C4X | N5 | 180.0° | 179.9° |
| N3 | C4 | C4X | C10 | 0.5° | 0.1° |
| O4 | C4 | C4X | N5 | 0.9° | 0.1° |
| O4 | C4 | C4X | C10 | 179.6° | 179.9° |
| O4 | C4 | N3 | H15 | 0.3° | 0.1° |
| C4 | C4X | N5 | C10 | 179.6° | 179.9° |
| C4 | C4X | N5 | C5X | 162.4° | 166.6° |
| C4 | C4X | C10 | N10 | 177.1° | 179.8° |
| C4 | C4X | N5 | C03 | 98.7° | 13.3° |
| C4X | C4 | N3 | H15 | 179.4° | 179.9° |
| C4X | N5 | C5X | C03 | 107.3° | 180.0° |
| C4X | N5 | C5X | C6 | 163.4° | 166.6° |
| C4X | N5 | C5X | C9A | 16.5° | 13.2° |
| N5 | C4X | C10 | N10 | 2.5° | 0.1° |
| C4X | N5 | C03 | C02 | 77.8° | 105.5° |
| C4X | N5 | C03 | S04 | 39.3° | 141.3° |
| C4X | N5 | C03 | H39 | 170.1° | 17.8° |
| C10 | C4X | N5 | C5X | 17.2° | 13.4° |
| C4X | C10 | N10 | C9A | 13.4° | 13.8° |
| C4X | C10 | N10 | C1' | 169.2° | 166.2° |
| C10 | C4X | N5 | C03 | 81.8° | 166.6° |
| C4X | C10 | N1 | H14 | 179.9° | 179.6° |
| N5 | C5X | C6 | C9A | 179.9° | 179.9° |
| N5 | C5X | C6 | C7 | 179.9° | 180.0° |
| N5 | C5X | C9A | C9 | 180.0° | 180.0° |
| N5 | C5X | C9A | N10 | 0.8° | 0.1° |
| C5X | N5 | C03 | C02 | 163.7° | 74.4° |
| C5X | N5 | C03 | S04 | 79.1° | 38.7° |
| N5 | C5X | C6 | H16 | 0.1° | 0.1° |
| C5X | N5 | C03 | H39 | 51.6° | 162.3° |
| C5X | C6 | C7 | H16 | 180.0° | 179.9° |
| C5X | C6 | C7 | C7M | 180.0° | 180.0° |
| C5X | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C5X | C9A | C9 | 0.1° | 0.2° |
| C6 | C5X | C9A | N10 | 179.1° | 180.0° |
| C6 | C5X | N5 | C03 | 89.3° | 13.3° |
| C9A | C5X | C6 | C7 | 0.2° | 0.2° |
| C5X | C9A | C9 | C8 | 0.0° | 0.1° |
| C5X | C9A | C9 | N10 | 179.2° | 179.9° |
| C5X | C9A | N10 | C10 | 14.2° | 13.7° |
| C5X | C9A | N10 | C1' | 168.5° | 166.2° |
| C9A | C5X | N5 | C03 | 90.8° | 166.8° |
| C9A | C5X | C6 | H16 | 179.8° | 180.0° |
| C5X | C9A | C9 | H23 | 180.0° | 179.8° |
| C6 | C7 | C7M | C8 | 179.8° | 179.9° |
| C6 | C7 | C8 | C8M | 179.8° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C7M | H17 | 90.1° | 90.0° |
| C6 | C7 | C7M | H18 | 149.9° | 150.0° |
| C6 | C7 | C7M | H19 | 29.9° | 30.1° |
| C7M | C7 | C8 | C8M | 0.0° | 0.0° |
| C7M | C7 | C8 | C9 | 179.9° | 179.9° |
| C7M | C7 | C6 | H16 | 0.0° | 0.1° |
| C7 | C7M | H17 | H18 | 120.0° | 120.0° |
| C7 | C7M | H17 | H19 | 120.0° | 120.0° |
| C7 | C7M | H18 | H19 | 120.0° | 120.0° |
| C7 | C8 | C8M | C9 | 179.9° | 179.9° |
| C7 | C8 | C9 | C9A | 0.0° | 0.0° |
| C8 | C7 | C6 | H16 | 179.8° | 180.0° |
| C8 | C7 | C7M | H17 | 90.1° | 90.0° |
| C8 | C7 | C7M | H18 | 29.9° | 30.1° |
| C8 | C7 | C7M | H19 | 149.9° | 150.0° |
| C7 | C8 | C8M | H20 | 90.0° | 90.0° |
| C7 | C8 | C8M | H21 | 150.0° | 150.0° |
| C7 | C8 | C8M | H22 | 30.0° | 30.0° |
| C7 | C8 | C9 | H23 | 180.0° | 179.9° |
| C8M | C8 | C9 | C9A | 179.9° | 179.9° |
| C8 | C8M | H20 | H21 | 120.0° | 120.0° |
| C8 | C8M | H20 | H22 | 120.0° | 120.0° |
| C8 | C8M | H21 | H22 | 120.0° | 120.0° |
| C8M | C8 | C9 | H23 | 0.1° | 0.1° |
| C8 | C9 | C9A | H23 | 180.0° | 179.9° |
| C8 | C9 | C9A | N10 | 179.2° | 180.0° |
| C9 | C8 | C8M | H20 | 90.0° | 90.0° |
| C9 | C8 | C8M | H21 | 30.0° | 30.0° |
| C9 | C8 | C8M | H22 | 150.0° | 150.0° |
| C9 | C9A | N10 | C10 | 165.0° | 166.4° |
| C9 | C9A | N10 | C1' | 12.3° | 13.6° |
| C9A | N10 | C10 | C1' | 177.4° | 180.0° |
| C9A | N10 | C1' | C2' | 88.3° | 84.6° |
| N10 | C9A | C9 | H23 | 0.8° | 0.0° |
| C9A | N10 | C1' | H24 | 31.8° | 35.4° |
| C9A | N10 | C1' | H25 | 151.5° | 155.3° |
| C10 | N10 | C1' | C2' | 89.0° | 95.4° |
| N10 | C10 | N1 | H14 | 2.6° | 0.4° |
| C10 | N10 | C1' | H24 | 150.9° | 144.7° |
| C10 | N10 | C1' | H25 | 31.2° | 24.7° |
| N10 | C1' | C2' | H24 | 120.1° | 120.0° |
| N10 | C1' | C2' | H25 | 120.1° | 120.0° |
| N10 | C1' | C2' | O2' | 68.0° | 60.3° |
| N10 | C1' | C2' | C3' | 171.0° | 179.7° |
| N10 | C1' | H24 | H25 | 119.6° | 120.0° |
| N10 | C1' | C2' | H26 | 52.0° | 59.7° |
| C1' | C2' | O2' | C3' | 122.9° | 120.0° |
| C1' | C2' | O2' | H26 | 118.9° | 120.0° |
| C1' | C2' | C3' | H26 | 119.1° | 120.0° |
| C1' | C2' | C3' | O3' | 54.1° | 60.0° |
| C1' | C2' | C3' | C4' | 67.1° | 179.9° |
| C2' | C1' | H24 | H25 | 119.6° | 120.0° |
| C1' | C2' | O2' | H27 | 180.0° | 64.9° |
| C1' | C2' | C3' | H28 | 172.8° | 60.0° |
| O2' | C2' | C3' | H26 | 119.6° | 120.0° |
| O2' | C2' | C3' | O3' | 67.2° | 180.0° |
| O2' | C2' | C3' | C4' | 171.6° | 60.0° |
| O2' | C2' | C1' | H24 | 171.9° | 179.7° |
| O2' | C2' | C1' | H25 | 52.1° | 59.8° |
| O2' | C2' | C3' | H28 | 51.4° | 60.0° |
| C2' | C3' | O3' | C4' | 126.6° | 120.0° |
| C2' | C3' | O3' | H28 | 117.5° | 119.9° |
| C2' | C3' | C4' | H28 | 120.1° | 119.9° |
| C2' | C3' | C4' | O4' | 26.5° | 59.9° |
| C2' | C3' | C4' | C5' | 151.9° | 180.0° |
| C3' | C2' | C1' | H24 | 50.9° | 59.7° |
| C3' | C2' | C1' | H25 | 68.9° | 60.3° |
| C3' | C2' | O2' | H27 | 57.2° | 55.1° |
| C2' | C3' | O3' | H29 | 180.0° | 60.0° |
| C2' | C3' | C4' | H30 | 92.3° | 60.0° |
| O3' | C3' | C4' | H28 | 117.1° | 120.1° |
| O3' | C3' | C4' | O4' | 149.2° | 179.9° |
| O3' | C3' | C4' | C5' | 85.3° | 60.0° |
| O3' | C3' | C2' | H26 | 173.2° | 60.0° |
| O3' | C3' | C4' | H30 | 30.4° | 60.0° |
| C3' | C4' | O4' | C5' | 125.0° | 120.0° |
| C3' | C4' | O4' | H30 | 117.9° | 119.9° |
| C3' | C4' | C5' | H30 | 115.7° | 119.9° |
| C3' | C4' | C5' | O5' | 74.0° | 174.9° |
| C4' | C3' | C2' | H26 | 52.1° | 60.0° |
| C4' | C3' | O3' | H29 | 53.4° | 60.0° |
| C3' | C4' | O4' | H31 | 180.0° | 60.1° |
| C3' | C4' | C5' | H32 | 165.6° | 55.0° |
| C3' | C4' | C5' | H33 | 46.4° | 65.0° |
| O4' | C4' | C5' | H30 | 118.1° | 120.0° |
| O4' | C4' | C5' | O5' | 52.2° | 65.0° |
| O4' | C4' | C3' | H28 | 93.7° | 60.0° |
| O4' | C4' | C5' | H32 | 68.2° | 175.0° |
| O4' | C4' | C5' | H33 | 172.6° | 55.0° |
| C4' | C5' | O5' | H32 | 120.4° | 120.0° |
| C4' | C5' | O5' | H33 | 120.4° | 120.0° |
| C4' | C5' | O5' | P | 122.3° | 180.0° |
| C5' | C4' | C3' | H28 | 31.8° | 60.1° |
| C5' | C4' | O4' | H31 | 55.0° | 60.0° |
| C4' | C5' | H32 | H33 | 118.8° | 120.0° |
| C5' | O5' | P | O1P | 58.0° | 55.0° |
| C5' | O5' | P | O2P | 174.8° | 65.0° |
| C5' | O5' | P | O3P | 71.0° | 175.0° |
| O5' | C5' | C4' | H30 | 170.3° | 55.0° |
| O5' | C5' | H32 | H33 | 118.7° | 120.0° |
| O5' | P | O1P | O2P | 117.2° | 120.0° |
| O5' | P | O1P | O3P | 119.4° | 120.0° |
| O5' | P | O2P | O3P | 102.1° | 120.0° |
| P | O5' | C5' | H32 | 1.8° | 60.0° |
| P | O5' | C5' | H33 | 117.3° | 60.0° |
| O5' | P | O2P | H34 | 126.4° | 60.0° |
| O1P | P | O2P | O3P | 131.5° | 120.0° |
| O1P | P | O2P | H34 | 0.0° | 179.9° |
| O3P | P | O2P | H34 | 131.5° | 60.0° |
| C02 | C01 | C05 | H35 | 120.0° | 120.8° |
| C02 | C01 | C05 | H36 | 120.0° | 120.8° |
| C01 | C02 | C03 | H37 | 120.1° | 120.9° |
| C01 | C02 | C03 | H38 | 120.1° | 120.8° |
| C01 | C02 | C03 | S04 | 10.1° | 24.6° |
| C02 | C01 | C05 | S04 | 36.8° | 24.5° |
| C01 | C02 | C03 | N5 | 125.4° | 142.8° |
| C02 | C01 | H35 | H36 | 120.0° | 118.4° |
| C01 | C02 | H37 | H38 | 119.5° | 118.4° |
| C01 | C02 | C03 | H39 | 125.2° | 93.9° |
| C02 | C01 | C05 | H40 | 156.1° | 93.8° |
| C02 | C01 | C05 | H41 | 82.5° | 142.8° |
| C05 | C01 | C02 | C03 | 17.2° | 0.0° |
| C01 | C05 | S04 | C03 | 37.4° | 34.5° |
| C01 | C05 | S04 | H40 | 119.3° | 118.2° |
| C01 | C05 | S04 | H41 | 119.3° | 118.3° |
| C05 | C01 | H35 | H36 | 120.0° | 118.5° |
| C05 | C01 | C02 | H37 | 102.9° | 120.8° |
| C05 | C01 | C02 | H38 | 137.4° | 120.8° |
| C01 | C05 | H40 | H41 | 122.1° | 123.4° |
| C02 | C03 | S04 | N5 | 112.0° | 118.3° |
| C02 | C03 | S04 | H39 | 117.3° | 118.4° |
| C02 | C03 | S04 | C05 | 27.7° | 34.5° |
| C02 | C03 | N5 | H39 | 112.1° | 123.3° |
| C03 | C02 | C01 | H35 | 102.8° | 120.8° |
| C03 | C02 | C01 | H36 | 137.2° | 120.8° |
| C03 | C02 | H37 | H38 | 119.5° | 118.5° |
| S04 | C03 | N5 | H39 | 130.7° | 123.5° |
| S04 | C03 | C02 | H37 | 130.2° | 96.3° |
| S04 | C03 | C02 | H38 | 110.0° | 145.3° |
| C03 | S04 | C05 | H40 | 156.7° | 83.8° |
| C03 | S04 | C05 | H41 | 81.9° | 152.7° |
| C05 | S04 | C03 | N5 | 84.3° | 152.8° |
| S04 | C05 | C01 | H35 | 83.2° | 145.3° |
| S04 | C05 | C01 | H36 | 156.8° | 96.3° |
| C05 | S04 | C03 | H39 | 145.0° | 83.9° |
| S04 | C05 | H40 | H41 | 122.1° | 123.5° |
| N5 | C03 | C02 | H37 | 5.3° | 22.0° |
| N5 | C03 | C02 | H38 | 114.4° | 96.4° |
| H2 | C5B | C4B | H4 | 176.7° | 174.5° |
| H3 | C5B | C4B | H4 | 62.7° | 65.5° |
| H4 | C4B | C3B | H5 | 168.5° | 123.7° |
| H5 | C3B | O3B | H6 | 57.0° | 57.4° |
| H5 | C3B | C2B | H7 | 37.9° | 21.4° |
| H7 | C2B | O2B | H8 | 55.8° | 62.2° |
| H7 | C2B | C1B | H9 | 102.6° | 160.3° |
| H17 | C7M | H18 | H19 | 120.0° | 120.0° |
| H20 | C8M | H21 | H22 | 120.0° | 119.9° |
| H24 | C1' | C2' | H26 | 68.1° | 60.3° |
| H25 | C1' | C2' | H26 | 172.1° | 179.7° |
| H26 | C2' | O2' | H27 | 61.1° | 175.2° |
| H26 | C2' | C3' | H28 | 68.1° | 180.0° |
| H28 | C3' | O3' | H29 | 62.6° | 180.0° |
| H28 | C3' | C4' | H30 | 147.5° | 180.0° |
| H30 | C4' | O4' | H31 | 62.1° | 180.0° |
| H30 | C4' | C5' | H32 | 49.9° | 64.9° |
| H30 | C4' | C5' | H33 | 69.3° | 175.1° |
| H35 | C01 | C02 | H37 | 137.1° | 118.3° |
| H35 | C01 | C02 | H38 | 17.4° | 0.1° |
| H35 | C01 | C05 | H40 | 36.1° | 27.1° |
| H35 | C01 | C05 | H41 | 157.6° | 96.4° |
| H36 | C01 | C02 | H37 | 17.1° | 0.0° |
| H36 | C01 | C02 | H38 | 102.6° | 118.4° |
| H36 | C01 | C05 | H40 | 83.9° | 145.5° |
| H36 | C01 | C05 | H41 | 37.6° | 22.0° |
| H37 | C02 | C03 | H39 | 114.6° | 145.2° |
| H38 | C02 | C03 | H39 | 5.1° | 26.8° |
