XQD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9A | P3B | doub | 1.48Å | 1.52Å | |
| O8A | P3B | sing | 1.61Å | 1.55Å | |
| P3B | O7A | sing | 1.61Å | 1.49Å | |
| P3B | O3C | sing | 1.61Å | 1.66Å | |
| O3C | C3C | sing | 1.43Å | 1.42Å | |
| C4C | C3C | sing | 1.54Å | 1.53Å | |
| C4C | O4C | sing | 1.44Å | 1.46Å | |
| C4C | C5C | sing | 1.53Å | 1.51Å | |
| C3C | C2C | sing | 1.55Å | 1.54Å | |
| O4C | C1A | sing | 1.44Å | 1.45Å | |
| C5C | O5C | sing | 1.43Å | 1.43Å | |
| C1A | C2C | sing | 1.54Å | 1.53Å | |
| C1A | N9A | sing | 1.47Å | 1.49Å | |
| C2C | O2C | sing | 1.43Å | 1.44Å | |
| O5C | P1A | sing | 1.61Å | 1.57Å | |
| O2A | P1A | doub | 1.48Å | 1.51Å | |
| N3A | C4A | doub | 1.33Å | 1.37Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.36Å | Aromatic |
| P1A | O3A | sing | 1.61Å | 1.61Å | |
| P1A | O1A | sing | 1.61Å | 1.53Å | |
| C4A | C5A | sing | 1.41Å | 1.39Å | Aromatic |
| O4E | P2A | doub | 1.48Å | 1.53Å | |
| C2A | N1A | doub | 1.32Å | 1.36Å | Aromatic |
| O3A | P2A | sing | 1.61Å | 1.62Å | |
| C8A | N7A | doub | 1.30Å | 1.38Å | Aromatic |
| P2A | O5A | sing | 1.61Å | 1.52Å | |
| P2A | O6A | sing | 1.61Å | 1.66Å | |
| C5A | N7A | sing | 1.36Å | 1.37Å | Aromatic |
| C5A | C6A | doub | 1.40Å | 1.38Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.34Å | Aromatic |
| CCP | O6A | sing | 1.43Å | 1.43Å | |
| CCP | CBP | sing | 1.53Å | 1.53Å | |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| CEP | CBP | sing | 1.53Å | 1.54Å | |
| CBP | CDP | sing | 1.53Å | 1.54Å | |
| CBP | CAP | sing | 1.53Å | 1.54Å | |
| OAP | CAP | sing | 1.43Å | 1.44Å | |
| CAP | C9P | sing | 1.51Å | 1.53Å | |
| O9P | C9P | doub | 1.21Å | 1.28Å | |
| C9P | N8P | sing | 1.35Å | 1.33Å | |
| N8P | C7P | sing | 1.46Å | 1.48Å | |
| C7P | C6P | sing | 1.53Å | 1.55Å | |
| C6P | C5P | sing | 1.51Å | 1.55Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| C5P | N4P | sing | 1.35Å | 1.36Å | |
| N4P | C3P | sing | 1.46Å | 1.48Å | |
| O7' | C7' | doub | 1.21Å | 1.24Å | |
| C8' | C7' | sing | 1.51Å | 1.53Å | |
| C3P | C2P | sing | 1.53Å | 1.52Å | |
| C7' | N2' | sing | 1.35Å | 1.34Å | |
| C2P | S1P | sing | 1.81Å | 1.82Å | |
| N2' | C2' | sing | 1.46Å | 1.47Å | |
| O4D | PA | doub | 1.48Å | 1.51Å | |
| C2' | C1' | sing | 1.53Å | 1.51Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.47Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| S1P | C | sing | 1.81Å | 1.86Å | |
| C1' | O5' | sing | 1.43Å | 1.40Å | |
| C1' | O1' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.49Å | |
| PA | O5B | sing | 1.61Å | 1.49Å | |
| PA | O3B | sing | 1.61Å | 1.57Å | |
| PA | O6B | sing | 1.61Å | 1.58Å | |
| C4' | N4A | sing | 1.47Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.57Å | |
| C | N4A | sing | 1.47Å | 1.51Å | |
| C | CH3 | sing | 1.53Å | 1.50Å | |
| O5' | C5' | sing | 1.43Å | 1.46Å | |
| O3B | PB | sing | 1.61Å | 1.62Å | |
| O1' | PB | sing | 1.61Å | 1.61Å | |
| C5' | C6' | sing | 1.53Å | 1.53Å | |
| O6B | C5B | sing | 1.43Å | 1.44Å | |
| O1B | PB | doub | 1.48Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| C5B | C4B | sing | 1.53Å | 1.55Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| C6 | N1 | sing | 1.37Å | 1.40Å | |
| C3B | C2B | sing | 1.55Å | 1.51Å | |
| C3B | O2' | sing | 1.43Å | 1.41Å | |
| C3B | C1B | sing | 1.55Å | 1.50Å | |
| C2B | C4B | sing | 1.54Å | 1.53Å | |
| C2B | O4A | sing | 1.43Å | 1.40Å | |
| O4 | C4 | doub | 1.22Å | 1.26Å | |
| C4 | N3 | sing | 1.35Å | 1.36Å | |
| C4B | O4B | sing | 1.44Å | 1.39Å | |
| O4B | C1B | sing | 1.44Å | 1.44Å | |
| N1 | C1B | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| N3 | C2 | sing | 1.35Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C6P | H4 | sing | 1.09Å | 1.10Å | |
| C6P | H5 | sing | 1.09Å | 1.10Å | |
| C7P | H6 | sing | 1.09Å | 1.10Å | |
| C7P | H7 | sing | 1.09Å | 1.10Å | |
| N8P | H8 | sing | 0.97Å | 1.00Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| OAP | H10 | sing | 0.97Å | 0.95Å | |
| CDP | H11 | sing | 1.09Å | 1.10Å | |
| CDP | H12 | sing | 1.09Å | 1.10Å | |
| CDP | H13 | sing | 1.09Å | 1.10Å | |
| CEP | H14 | sing | 1.09Å | 1.10Å | |
| CEP | H15 | sing | 1.09Å | 1.10Å | |
| CEP | H16 | sing | 1.09Å | 1.10Å | |
| CCP | H17 | sing | 1.09Å | 1.10Å | |
| CCP | H18 | sing | 1.09Å | 1.10Å | |
| O5A | H19 | sing | 0.97Å | 0.95Å | |
| O1A | H20 | sing | 0.97Å | 0.95Å | |
| C5C | H21 | sing | 1.09Å | 1.10Å | |
| C5C | H22 | sing | 1.09Å | 1.10Å | |
| C4C | H23 | sing | 1.09Å | 1.10Å | |
| C3C | H24 | sing | 1.09Å | 1.10Å | |
| O8A | H25 | sing | 0.97Å | 0.95Å | |
| O7A | H26 | sing | 0.97Å | 0.95Å | |
| C2C | H27 | sing | 1.09Å | 1.10Å | |
| O2C | H28 | sing | 0.97Å | 0.95Å | |
| C1A | H29 | sing | 1.09Å | 1.10Å | |
| C2A | H30 | sing | 1.08Å | 1.08Å | |
| C8A | H31 | sing | 1.08Å | 1.08Å | |
| N6A | H32 | sing | 0.97Å | 1.00Å | |
| N6A | H33 | sing | 0.97Å | 1.00Å | |
| N4P | H34 | sing | 0.97Å | 1.00Å | |
| C3P | H35 | sing | 1.09Å | 1.10Å | |
| C3P | H36 | sing | 1.09Å | 1.10Å | |
| C2P | H37 | sing | 1.09Å | 1.10Å | |
| C2P | H38 | sing | 1.09Å | 1.10Å | |
| O | H39 | sing | 0.97Å | 0.95Å | |
| CH3 | H40 | sing | 1.09Å | 1.10Å | |
| CH3 | H41 | sing | 1.09Å | 1.10Å | |
| CH3 | H42 | sing | 1.09Å | 1.10Å | |
| N4A | H43 | sing | 1.01Å | 1.00Å | |
| C4' | H45 | sing | 1.09Å | 1.10Å | |
| C3' | H46 | sing | 1.09Å | 1.10Å | |
| O3' | H47 | sing | 0.97Å | 0.95Å | |
| C5' | H48 | sing | 1.09Å | 1.10Å | |
| C6' | H49 | sing | 1.09Å | 1.10Å | |
| C6' | H50 | sing | 1.09Å | 1.10Å | |
| C6' | H51 | sing | 1.09Å | 1.10Å | |
| C1' | H52 | sing | 1.09Å | 1.10Å | |
| C2' | H53 | sing | 1.09Å | 1.10Å | |
| N2' | H54 | sing | 0.97Å | 1.00Å | |
| C8' | H55 | sing | 1.09Å | 1.10Å | |
| C8' | H56 | sing | 1.09Å | 1.10Å | |
| C8' | H57 | sing | 1.09Å | 1.10Å | |
| O2B | H58 | sing | 0.97Å | 0.95Å | |
| O5B | H59 | sing | 0.97Å | 0.95Å | |
| C5B | H60 | sing | 1.09Å | 1.10Å | |
| C5B | H61 | sing | 1.09Å | 1.10Å | |
| C4B | H62 | sing | 1.09Å | 1.10Å | |
| C2B | H63 | sing | 1.09Å | 1.10Å | |
| O4A | H64 | sing | 0.97Å | 0.95Å | |
| C3B | H65 | sing | 1.09Å | 1.10Å | |
| O2' | H66 | sing | 0.97Å | 0.95Å | |
| C1B | H67 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9A | P3B | O8A | 117.4° | 109.4° |
| O9A | P3B | O7A | 112.4° | 109.5° |
| O9A | P3B | O3C | 97.5° | 109.5° |
| O8A | P3B | O7A | 109.4° | 109.4° |
| O8A | P3B | O3C | 108.6° | 109.5° |
| P3B | O8A | H25 | 109.5° | 114.0° |
| O7A | P3B | O3C | 110.9° | 109.5° |
| P3B | O7A | H26 | 109.5° | 114.0° |
| P3B | O3C | C3C | 121.5° | 123.0° |
| O3C | C3C | C4C | 107.4° | 110.5° |
| O3C | C3C | C2C | 107.5° | 110.5° |
| O3C | C3C | H24 | 113.5° | 110.6° |
| C3C | C4C | O4C | 105.4° | 104.8° |
| C3C | C4C | C5C | 111.9° | 110.4° |
| C4C | C3C | C2C | 104.7° | 104.0° |
| C3C | C4C | H23 | 109.3° | 110.4° |
| C4C | C3C | H24 | 111.7° | 110.5° |
| O4C | C4C | C5C | 110.2° | 110.3° |
| C4C | O4C | C1A | 109.2° | 105.2° |
| O4C | C4C | H23 | 110.3° | 110.4° |
| C4C | C5C | O5C | 108.2° | 109.5° |
| C4C | C5C | H21 | 109.8° | 109.5° |
| C4C | C5C | H22 | 109.8° | 109.5° |
| C5C | C4C | H23 | 109.6° | 110.4° |
| C3C | C2C | C1A | 100.7° | 104.0° |
| C3C | C2C | O2C | 115.5° | 110.5° |
| C2C | C3C | H24 | 111.6° | 110.5° |
| C3C | C2C | H27 | 108.7° | 110.5° |
| O4C | C1A | C2C | 108.2° | 104.8° |
| O4C | C1A | N9A | 105.0° | 110.3° |
| O4C | C1A | H29 | 112.2° | 110.4° |
| C5C | O5C | P1A | 118.7° | 123.0° |
| O5C | C5C | H21 | 109.8° | 109.5° |
| O5C | C5C | H22 | 109.8° | 109.5° |
| C2C | C1A | N9A | 108.5° | 110.4° |
| C1A | C2C | O2C | 112.7° | 110.5° |
| C1A | C2C | H27 | 108.8° | 110.7° |
| C2C | C1A | H29 | 111.1° | 110.4° |
| C1A | N9A | C4A | 123.4° | 126.3° |
| C1A | N9A | C8A | 127.0° | 126.3° |
| N9A | C1A | H29 | 111.6° | 110.4° |
| O2C | C2C | H27 | 110.0° | 110.5° |
| C2C | O2C | H28 | 109.5° | 114.0° |
| O5C | P1A | O2A | 105.7° | 109.4° |
| O5C | P1A | O3A | 100.5° | 109.5° |
| O5C | P1A | O1A | 109.9° | 109.5° |
| O2A | P1A | O3A | 110.3° | 109.5° |
| O2A | P1A | O1A | 117.1° | 109.5° |
| C4A | N3A | C2A | 120.0° | 120.7° |
| N3A | C4A | N9A | 133.7° | 134.9° |
| N3A | C4A | C5A | 119.9° | 119.0° |
| N3A | C2A | N1A | 121.1° | 122.4° |
| N3A | C2A | H30 | 119.4° | 118.8° |
| C4A | N9A | C8A | 109.6° | 107.4° |
| N9A | C4A | C5A | 106.3° | 106.0° |
| N9A | C8A | N7A | 108.8° | 110.0° |
| N9A | C8A | H31 | 125.6° | 125.0° |
| O3A | P1A | O1A | 111.8° | 109.5° |
| P1A | O3A | P2A | 126.8° | 134.0° |
| P1A | O1A | H20 | 109.5° | 114.0° |
| C4A | C5A | N7A | 109.2° | 107.1° |
| C4A | C5A | C6A | 117.7° | 118.2° |
| O4E | P2A | O3A | 104.6° | 109.5° |
| O4E | P2A | O5A | 120.2° | 109.5° |
| O4E | P2A | O6A | 106.6° | 109.4° |
| C2A | N1A | C6A | 119.8° | 121.2° |
| N1A | C2A | H30 | 119.4° | 118.8° |
| O3A | P2A | O5A | 115.9° | 109.5° |
| O3A | P2A | O6A | 100.7° | 109.5° |
| C8A | N7A | C5A | 106.0° | 109.4° |
| N7A | C8A | H31 | 125.6° | 125.0° |
| O5A | P2A | O6A | 106.9° | 109.5° |
| P2A | O5A | H19 | 109.5° | 114.0° |
| P2A | O6A | CCP | 115.1° | 123.0° |
| N7A | C5A | C6A | 132.8° | 134.7° |
| C5A | C6A | N1A | 121.2° | 118.5° |
| C5A | C6A | N6A | 118.5° | 120.8° |
| N1A | C6A | N6A | 119.9° | 120.8° |
| O6A | CCP | CBP | 105.8° | 109.5° |
| O6A | CCP | H17 | 110.4° | 109.4° |
| O6A | CCP | H18 | 110.4° | 109.5° |
| CCP | CBP | CEP | 106.0° | 109.5° |
| CCP | CBP | CDP | 113.5° | 109.5° |
| CCP | CBP | CAP | 108.1° | 109.5° |
| CBP | CCP | H17 | 110.4° | 109.5° |
| CBP | CCP | H18 | 110.4° | 109.5° |
| C6A | N6A | H32 | 109.5° | 120.0° |
| C6A | N6A | H33 | 109.5° | 120.0° |
| CEP | CBP | CDP | 111.4° | 109.5° |
| CEP | CBP | CAP | 111.0° | 109.5° |
| CBP | CEP | H14 | 109.5° | 109.5° |
| CBP | CEP | H15 | 109.5° | 109.5° |
| CBP | CEP | H16 | 109.4° | 109.5° |
| CDP | CBP | CAP | 106.9° | 109.4° |
| CBP | CDP | H11 | 109.5° | 109.5° |
| CBP | CDP | H12 | 109.5° | 109.4° |
| CBP | CDP | H13 | 109.4° | 109.4° |
| CBP | CAP | OAP | 112.4° | 109.5° |
| CBP | CAP | C9P | 114.5° | 109.5° |
| CBP | CAP | H9 | 108.1° | 109.5° |
| OAP | CAP | C9P | 103.9° | 109.4° |
| OAP | CAP | H9 | 109.5° | 109.4° |
| CAP | OAP | H10 | 109.5° | 114.0° |
| CAP | C9P | O9P | 120.2° | 120.0° |
| CAP | C9P | N8P | 114.0° | 120.0° |
| C9P | CAP | H9 | 108.3° | 109.5° |
| O9P | C9P | N8P | 125.7° | 119.9° |
| C9P | N8P | C7P | 125.4° | 120.0° |
| C9P | N8P | H8 | 117.3° | 120.0° |
| N8P | C7P | C6P | 105.3° | 109.5° |
| N8P | C7P | H6 | 110.5° | 109.5° |
| N8P | C7P | H7 | 110.5° | 109.5° |
| C7P | N8P | H8 | 117.3° | 120.0° |
| C7P | C6P | C5P | 103.4° | 109.5° |
| C7P | C6P | H4 | 111.0° | 109.5° |
| C7P | C6P | H5 | 111.0° | 109.5° |
| C6P | C7P | H6 | 110.5° | 109.5° |
| C6P | C7P | H7 | 110.5° | 109.5° |
| C6P | C5P | O5P | 119.9° | 120.0° |
| C6P | C5P | N4P | 119.7° | 120.0° |
| C5P | C6P | H4 | 111.0° | 109.5° |
| C5P | C6P | H5 | 111.0° | 109.5° |
| O5P | C5P | N4P | 120.3° | 120.0° |
| C5P | N4P | C3P | 127.8° | 120.0° |
| C5P | N4P | H34 | 116.1° | 120.0° |
| N4P | C3P | C2P | 107.0° | 109.5° |
| C3P | N4P | H34 | 116.1° | 120.0° |
| N4P | C3P | H35 | 110.1° | 109.5° |
| N4P | C3P | H36 | 110.1° | 109.5° |
| O7' | C7' | C8' | 122.6° | 120.0° |
| O7' | C7' | N2' | 120.9° | 120.0° |
| C8' | C7' | N2' | 116.5° | 120.0° |
| C7' | C8' | H55 | 109.5° | 109.5° |
| C7' | C8' | H56 | 109.5° | 109.4° |
| C7' | C8' | H57 | 109.5° | 109.4° |
| C3P | C2P | S1P | 105.4° | 109.5° |
| C2P | C3P | H35 | 110.1° | 109.5° |
| C2P | C3P | H36 | 110.1° | 109.5° |
| C3P | C2P | H37 | 110.5° | 109.5° |
| C3P | C2P | H38 | 110.5° | 109.5° |
| C7' | N2' | C2' | 123.3° | 120.0° |
| C7' | N2' | H54 | 118.3° | 120.0° |
| C2P | S1P | C | 101.2° | 103.0° |
| S1P | C2P | H37 | 110.5° | 109.5° |
| S1P | C2P | H38 | 110.5° | 109.5° |
| N2' | C2' | C1' | 107.7° | 109.5° |
| N2' | C2' | C3' | 110.1° | 109.5° |
| N2' | C2' | H53 | 110.2° | 109.6° |
| C2' | N2' | H54 | 118.4° | 120.0° |
| O4D | PA | O5B | 115.6° | 109.4° |
| O4D | PA | O3B | 106.6° | 109.4° |
| O4D | PA | O6B | 109.1° | 109.5° |
| C1' | C2' | C3' | 109.7° | 109.2° |
| C2' | C1' | O5' | 112.3° | 109.4° |
| C2' | C1' | O1' | 111.4° | 109.5° |
| C2' | C1' | H52 | 107.8° | 109.5° |
| C1' | C2' | H53 | 109.6° | 109.5° |
| C2' | C3' | O3' | 108.1° | 109.6° |
| C2' | C3' | C4' | 104.9° | 109.0° |
| C2' | C3' | H46 | 110.0° | 109.5° |
| C3' | C2' | H53 | 109.5° | 109.5° |
| O3' | C3' | C4' | 112.3° | 109.5° |
| O3' | C3' | H46 | 110.8° | 109.6° |
| C3' | O3' | H47 | 109.5° | 114.0° |
| O | C | S1P | 115.2° | 109.4° |
| O | C | N4A | 109.8° | 109.4° |
| O | C | CH3 | 103.2° | 109.5° |
| C | O | H39 | 109.5° | 114.0° |
| S1P | C | N4A | 112.6° | 109.5° |
| S1P | C | CH3 | 104.9° | 109.5° |
| O5' | C1' | O1' | 107.5° | 109.5° |
| C1' | O5' | C5' | 115.4° | 114.1° |
| O5' | C1' | H52 | 109.2° | 109.5° |
| C1' | O1' | PB | 121.6° | 123.0° |
| O1' | C1' | H52 | 108.6° | 109.5° |
| C3' | C4' | N4A | 107.9° | 109.5° |
| C3' | C4' | C5' | 109.8° | 109.1° |
| C3' | C4' | H45 | 110.0° | 109.6° |
| C4' | C3' | H46 | 110.5° | 109.6° |
| O5B | PA | O3B | 111.0° | 109.5° |
| O5B | PA | O6B | 110.4° | 109.5° |
| PA | O5B | H59 | 109.5° | 114.0° |
| O3B | PA | O6B | 103.4° | 109.5° |
| PA | O3B | PB | 132.6° | 134.0° |
| PA | O6B | C5B | 126.9° | 123.0° |
| N4A | C4' | C5' | 109.6° | 109.5° |
| C4' | N4A | C | 120.2° | 111.0° |
| C4' | N4A | H43 | 106.8° | 111.0° |
| N4A | C4' | H45 | 110.6° | 109.5° |
| C4' | C5' | O5' | 106.5° | 109.4° |
| C4' | C5' | C6' | 123.8° | 109.5° |
| C5' | C4' | H45 | 109.0° | 109.5° |
| C4' | C5' | H48 | 107.1° | 109.5° |
| N4A | C | CH3 | 110.6° | 109.5° |
| C | N4A | H43 | 106.7° | 111.0° |
| C | CH3 | H40 | 109.5° | 109.5° |
| C | CH3 | H41 | 109.5° | 109.5° |
| C | CH3 | H42 | 109.5° | 109.5° |
| O5' | C5' | C6' | 102.5° | 109.5° |
| O5' | C5' | H48 | 108.5° | 109.5° |
| O3B | PB | O1' | 100.9° | 109.5° |
| O3B | PB | O1B | 101.8° | 109.5° |
| O3B | PB | O2B | 114.2° | 109.5° |
| O1' | PB | O1B | 113.0° | 109.5° |
| O1' | PB | O2B | 101.3° | 109.5° |
| C6' | C5' | H48 | 107.6° | 109.5° |
| C5' | C6' | H49 | 109.5° | 109.5° |
| C5' | C6' | H50 | 109.5° | 109.5° |
| C5' | C6' | H51 | 109.4° | 109.5° |
| O6B | C5B | C4B | 107.9° | 109.5° |
| O6B | C5B | H60 | 109.8° | 109.5° |
| O6B | C5B | H61 | 109.9° | 109.5° |
| O1B | PB | O2B | 123.7° | 109.5° |
| PB | O2B | H58 | 109.5° | 114.0° |
| C5B | C4B | C2B | 112.0° | 109.9° |
| C5B | C4B | O4B | 104.8° | 109.9° |
| C4B | C5B | H60 | 109.9° | 109.5° |
| C4B | C5B | H61 | 109.8° | 109.5° |
| C5B | C4B | H62 | 109.4° | 109.9° |
| C6 | C5 | C4 | 118.1° | 119.1° |
| C5 | C6 | N1 | 119.5° | 119.7° |
| C6 | C5 | H2 | 120.9° | 120.4° |
| C5 | C6 | H3 | 120.2° | 120.2° |
| C5 | C4 | O4 | 119.4° | 120.3° |
| C5 | C4 | N3 | 123.7° | 119.4° |
| C4 | C5 | H2 | 120.9° | 120.5° |
| C6 | N1 | C1B | 120.0° | 119.7° |
| C6 | N1 | C2 | 120.1° | 120.6° |
| N1 | C6 | H3 | 120.3° | 120.2° |
| C2B | C3B | O2' | 114.0° | 110.9° |
| C2B | C3B | C1B | 103.9° | 102.0° |
| C3B | C2B | C4B | 101.2° | 104.2° |
| C3B | C2B | O4A | 111.4° | 110.5° |
| C3B | C2B | H63 | 110.1° | 110.6° |
| C2B | C3B | H65 | 108.4° | 110.9° |
| O2' | C3B | C1B | 111.9° | 110.9° |
| O2' | C3B | H65 | 109.8° | 110.8° |
| C3B | O2' | H66 | 109.5° | 114.0° |
| C3B | C1B | O4B | 102.4° | 103.5° |
| C3B | C1B | N1 | 113.3° | 110.6° |
| C1B | C3B | H65 | 108.6° | 111.0° |
| C3B | C1B | H67 | 109.8° | 110.6° |
| C4B | C2B | O4A | 111.9° | 110.5° |
| C2B | C4B | O4B | 109.2° | 107.3° |
| C2B | C4B | H62 | 109.7° | 110.0° |
| C4B | C2B | H63 | 109.9° | 110.5° |
| O4A | C2B | H63 | 111.8° | 110.4° |
| C2B | O4A | H64 | 109.5° | 114.0° |
| O4 | C4 | N3 | 116.9° | 120.3° |
| C4 | N3 | C2 | 117.0° | 120.2° |
| C4 | N3 | H1 | 121.5° | 119.9° |
| C4B | O4B | C1B | 107.9° | 107.0° |
| O4B | C4B | H62 | 111.6° | 109.9° |
| O4B | C1B | N1 | 110.0° | 110.6° |
| O4B | C1B | H67 | 110.7° | 110.8° |
| C1B | N1 | C2 | 119.8° | 119.7° |
| N1 | C1B | H67 | 110.4° | 110.5° |
| N1 | C2 | N3 | 121.4° | 121.0° |
| N1 | C2 | O2 | 123.3° | 119.5° |
| N3 | C2 | O2 | 115.2° | 119.5° |
| C2 | N3 | H1 | 121.5° | 119.9° |
| H4 | C6P | H5 | 109.5° | 109.5° |
| H6 | C7P | H7 | 109.5° | 109.4° |
| H11 | CDP | H12 | 109.4° | 109.5° |
| H11 | CDP | H13 | 109.5° | 109.5° |
| H12 | CDP | H13 | 109.5° | 109.5° |
| H14 | CEP | H15 | 109.5° | 109.4° |
| H14 | CEP | H16 | 109.5° | 109.4° |
| H15 | CEP | H16 | 109.5° | 109.5° |
| H17 | CCP | H18 | 109.5° | 109.4° |
| H21 | C5C | H22 | 109.4° | 109.4° |
| H32 | N6A | H33 | 109.5° | 120.0° |
| H35 | C3P | H36 | 109.5° | 109.5° |
| H37 | C2P | H38 | 109.4° | 109.5° |
| H40 | CH3 | H41 | 109.4° | 109.4° |
| H40 | CH3 | H42 | 109.5° | 109.4° |
| H41 | CH3 | H42 | 109.5° | 109.5° |
| H49 | C6' | H50 | 109.5° | 109.5° |
| H49 | C6' | H51 | 109.5° | 109.4° |
| H50 | C6' | H51 | 109.5° | 109.4° |
| H55 | C8' | H56 | 109.5° | 109.5° |
| H55 | C8' | H57 | 109.5° | 109.5° |
| H56 | C8' | H57 | 109.5° | 109.4° |
| H60 | C5B | H61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9A | P3B | O8A | O7A | 129.6° | 120.0° |
| O9A | P3B | O8A | O3C | 109.3° | 120.0° |
| O9A | P3B | O7A | O3C | 108.0° | 120.1° |
| O9A | P3B | O3C | C3C | 173.3° | 55.0° |
| O9A | P3B | O8A | H25 | 0.0° | 180.0° |
| O9A | P3B | O7A | H26 | 0.0° | 59.9° |
| O8A | P3B | O7A | O3C | 119.8° | 120.0° |
| O8A | P3B | O3C | C3C | 64.4° | 65.0° |
| O8A | P3B | O7A | H26 | 132.3° | 60.0° |
| O7A | P3B | O3C | C3C | 55.8° | 175.0° |
| O7A | P3B | O8A | H25 | 129.6° | 60.0° |
| P3B | O3C | C3C | C4C | 98.0° | 120.0° |
| P3B | O3C | C3C | C2C | 149.8° | 125.3° |
| P3B | O3C | C3C | H24 | 25.9° | 2.7° |
| O3C | P3B | O8A | H25 | 109.3° | 59.9° |
| O3C | P3B | O7A | H26 | 108.0° | 180.0° |
| O3C | C3C | C4C | C2C | 114.0° | 118.6° |
| O3C | C3C | C4C | H24 | 125.0° | 122.8° |
| O3C | C3C | C4C | O4C | 85.9° | 142.6° |
| O3C | C3C | C4C | C5C | 154.3° | 98.6° |
| O3C | C3C | C2C | H24 | 125.1° | 122.7° |
| O3C | C3C | C2C | C1A | 80.0° | 118.6° |
| O3C | C3C | C2C | O2C | 41.6° | 0.0° |
| O3C | C3C | C4C | H23 | 32.7° | 23.7° |
| O3C | C3C | C2C | H27 | 165.8° | 122.6° |
| C3C | C4C | O4C | C5C | 120.9° | 118.8° |
| C3C | C4C | O4C | H23 | 117.9° | 118.9° |
| C3C | C4C | C5C | H23 | 121.5° | 122.3° |
| C4C | C3C | C2C | H24 | 121.0° | 118.6° |
| C3C | C4C | O4C | C1A | 10.1° | 40.5° |
| C3C | C4C | C5C | O5C | 28.3° | 175.0° |
| C4C | C3C | C2C | C1A | 33.9° | 0.0° |
| C4C | C3C | C2C | O2C | 155.6° | 118.6° |
| C3C | C4C | C5C | H21 | 148.1° | 64.9° |
| C3C | C4C | C5C | H22 | 91.5° | 55.0° |
| C4C | C3C | C2C | H27 | 80.3° | 118.8° |
| O4C | C4C | C5C | H23 | 121.6° | 122.3° |
| O4C | C4C | C3C | C2C | 28.1° | 24.0° |
| O4C | C4C | C5C | O5C | 88.7° | 69.6° |
| C4C | O4C | C1A | C2C | 12.1° | 40.5° |
| C4C | O4C | C1A | N9A | 127.8° | 159.4° |
| O4C | C4C | C5C | H21 | 31.1° | 50.5° |
| O4C | C4C | C5C | H22 | 151.5° | 170.4° |
| O4C | C4C | C3C | H24 | 149.1° | 94.6° |
| C4C | O4C | C1A | H29 | 110.8° | 78.4° |
| C5C | C4C | C3C | C2C | 91.7° | 142.8° |
| C5C | C4C | O4C | C1A | 110.8° | 159.4° |
| C4C | C5C | O5C | H21 | 119.8° | 120.1° |
| C4C | C5C | O5C | H22 | 119.8° | 120.0° |
| C4C | C5C | O5C | P1A | 178.9° | 180.0° |
| C4C | C5C | H21 | H22 | 120.6° | 119.9° |
| C5C | C4C | C3C | H24 | 29.2° | 24.2° |
| C3C | C2C | C1A | O4C | 28.6° | 24.0° |
| C3C | C2C | C1A | O2C | 123.6° | 118.6° |
| C3C | C2C | C1A | H27 | 114.1° | 118.7° |
| C3C | C2C | C1A | N9A | 142.0° | 142.8° |
| C3C | C2C | O2C | H27 | 123.4° | 122.6° |
| C2C | C3C | C4C | H23 | 146.7° | 94.9° |
| C3C | C2C | O2C | H28 | 180.0° | 180.0° |
| C3C | C2C | C1A | H29 | 95.0° | 94.9° |
| O4C | C1A | C2C | N9A | 113.4° | 118.8° |
| O4C | C1A | C2C | H29 | 123.6° | 118.9° |
| O4C | C1A | N9A | H29 | 121.8° | 122.3° |
| O4C | C1A | C2C | O2C | 152.2° | 142.6° |
| O4C | C1A | N9A | C4A | 111.8° | 156.5° |
| O4C | C1A | N9A | C8A | 65.8° | 23.3° |
| C1A | O4C | C4C | H23 | 128.1° | 78.3° |
| O4C | C1A | C2C | H27 | 85.5° | 94.7° |
| C5C | O5C | P1A | O2A | 62.7° | 55.1° |
| C5C | O5C | P1A | O3A | 52.1° | 175.0° |
| C5C | O5C | P1A | O1A | 170.1° | 64.9° |
| O5C | C5C | H21 | H22 | 120.6° | 120.0° |
| O5C | C5C | C4C | H23 | 149.7° | 52.6° |
| C2C | C1A | N9A | H29 | 122.7° | 122.3° |
| C1A | C2C | O2C | H27 | 121.6° | 122.8° |
| C2C | C1A | N9A | C4A | 132.7° | 88.1° |
| C2C | C1A | N9A | C8A | 49.7° | 92.1° |
| C1A | C2C | C3C | H24 | 154.9° | 118.7° |
| C1A | C2C | O2C | H28 | 65.0° | 65.4° |
| N9A | C1A | C2C | O2C | 94.3° | 98.6° |
| C1A | N9A | C4A | N3A | 1.0° | 0.1° |
| C1A | N9A | C4A | C8A | 178.0° | 179.8° |
| C1A | N9A | C4A | C5A | 176.8° | 180.0° |
| C1A | N9A | C8A | N7A | 177.9° | 180.0° |
| N9A | C1A | C2C | H27 | 27.9° | 24.1° |
| C1A | N9A | C8A | H31 | 2.1° | 0.1° |
| O2C | C2C | C3C | H24 | 83.4° | 122.7° |
| O2C | C2C | C1A | H29 | 28.7° | 23.7° |
| O5C | P1A | O2A | O3A | 107.9° | 120.0° |
| O5C | P1A | O2A | O1A | 122.7° | 120.0° |
| O5C | P1A | O3A | O1A | 116.6° | 120.0° |
| O5C | P1A | O3A | P2A | 167.9° | 165.0° |
| O5C | P1A | O1A | H20 | 120.6° | 60.1° |
| P1A | O5C | C5C | H21 | 59.1° | 59.9° |
| P1A | O5C | C5C | H22 | 61.3° | 60.0° |
| O2A | P1A | O3A | O1A | 132.2° | 120.0° |
| O2A | P1A | O3A | P2A | 56.6° | 45.0° |
| O2A | P1A | O1A | H20 | 0.0° | 180.0° |
| N3A | C4A | N9A | C5A | 177.8° | 180.0° |
| N3A | C4A | N9A | C8A | 179.0° | 179.7° |
| C4A | N3A | C2A | N1A | 0.7° | 0.0° |
| N3A | C4A | C5A | N7A | 179.9° | 179.8° |
| N3A | C4A | C5A | C6A | 5.3° | 0.0° |
| C4A | N3A | C2A | H30 | 179.3° | 179.9° |
| C2A | N3A | C4A | N9A | 179.5° | 180.0° |
| C2A | N3A | C4A | C5A | 2.0° | 0.0° |
| N3A | C2A | N1A | H30 | 180.0° | 179.9° |
| N3A | C2A | N1A | C6A | 0.2° | 0.1° |
| C4A | N9A | C8A | N7A | 0.0° | 0.2° |
| N9A | C4A | C5A | N7A | 2.0° | 0.2° |
| N9A | C4A | C5A | C6A | 176.6° | 180.0° |
| C4A | N9A | C1A | H29 | 10.0° | 34.2° |
| C4A | N9A | C8A | H31 | 180.0° | 179.7° |
| C8A | N9A | C4A | C5A | 1.2° | 0.2° |
| N9A | C8A | N7A | H31 | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 1.2° | 0.1° |
| C8A | N9A | C1A | H29 | 172.4° | 145.6° |
| P1A | O3A | P2A | O4E | 122.9° | 40.0° |
| P1A | O3A | P2A | O5A | 11.8° | 80.0° |
| P1A | O3A | P2A | O6A | 126.6° | 160.0° |
| O3A | P1A | O1A | H20 | 128.6° | 59.9° |
| O1A | P1A | O3A | P2A | 75.6° | 75.0° |
| C4A | C5A | N7A | C8A | 1.9° | 0.0° |
| C4A | C5A | N7A | C6A | 173.5° | 179.8° |
| C4A | C5A | C6A | N1A | 6.3° | 0.1° |
| C4A | C5A | C6A | N6A | 179.1° | 180.0° |
| O4E | P2A | O3A | O5A | 134.7° | 120.0° |
| O4E | P2A | O3A | O6A | 110.4° | 120.0° |
| O4E | P2A | O5A | O6A | 121.4° | 120.0° |
| O4E | P2A | O6A | CCP | 60.0° | 55.0° |
| O4E | P2A | O5A | H19 | 0.0° | 180.0° |
| C2A | N1A | C6A | C5A | 3.8° | 0.1° |
| C2A | N1A | C6A | N6A | 176.5° | 180.0° |
| O3A | P2A | O5A | O6A | 111.3° | 120.0° |
| O3A | P2A | O6A | CCP | 48.9° | 175.0° |
| O3A | P2A | O5A | H19 | 127.3° | 60.0° |
| C8A | N7A | C5A | C6A | 175.4° | 179.8° |
| O5A | P2A | O6A | CCP | 170.4° | 65.0° |
| P2A | O6A | CCP | CBP | 179.1° | 180.0° |
| P2A | O6A | CCP | H17 | 59.7° | 60.0° |
| P2A | O6A | CCP | H18 | 61.5° | 60.0° |
| O6A | P2A | O5A | H19 | 121.4° | 60.0° |
| N7A | C5A | C6A | N1A | 179.3° | 179.8° |
| N7A | C5A | C6A | N6A | 7.8° | 0.3° |
| C5A | N7A | C8A | H31 | 178.8° | 179.8° |
| C5A | C6A | N1A | N6A | 172.8° | 179.9° |
| C5A | C6A | N6A | H32 | 173.0° | 0.1° |
| C5A | C6A | N6A | H33 | 53.0° | 180.0° |
| C6A | N1A | C2A | H30 | 179.8° | 180.0° |
| N1A | C6A | N6A | H32 | 0.0° | 180.0° |
| N1A | C6A | N6A | H33 | 120.0° | 0.1° |
| O6A | CCP | CBP | H17 | 119.4° | 120.0° |
| O6A | CCP | CBP | H18 | 119.4° | 120.0° |
| O6A | CCP | CBP | CEP | 179.5° | 60.0° |
| O6A | CCP | CBP | CDP | 57.9° | 60.0° |
| O6A | CCP | CBP | CAP | 60.5° | 180.0° |
| O6A | CCP | H17 | H18 | 121.7° | 119.9° |
| CCP | CBP | CEP | CDP | 123.9° | 120.0° |
| CCP | CBP | CEP | CAP | 117.2° | 120.0° |
| CCP | CBP | CDP | CAP | 119.1° | 120.0° |
| CCP | CBP | CAP | OAP | 48.8° | 54.1° |
| CCP | CBP | CAP | C9P | 167.0° | 174.1° |
| CCP | CBP | CAP | H9 | 72.2° | 65.8° |
| CCP | CBP | CDP | H11 | 180.0° | 176.2° |
| CCP | CBP | CDP | H12 | 60.0° | 56.1° |
| CCP | CBP | CDP | H13 | 60.0° | 63.8° |
| CCP | CBP | CEP | H14 | 180.0° | 180.0° |
| CCP | CBP | CEP | H15 | 60.0° | 60.0° |
| CCP | CBP | CEP | H16 | 60.0° | 60.0° |
| CBP | CCP | H17 | H18 | 121.7° | 120.1° |
| C6A | N6A | H32 | H33 | 120.0° | 179.9° |
| CEP | CBP | CDP | CAP | 121.4° | 120.0° |
| CEP | CBP | CAP | OAP | 67.1° | 65.9° |
| CEP | CBP | CAP | C9P | 51.1° | 54.1° |
| CEP | CBP | CAP | H9 | 171.9° | 174.1° |
| CEP | CBP | CDP | H11 | 60.4° | 56.1° |
| CEP | CBP | CDP | H12 | 59.6° | 63.9° |
| CEP | CBP | CDP | H13 | 179.6° | 176.1° |
| CBP | CEP | H14 | H15 | 120.0° | 120.0° |
| CBP | CEP | H14 | H16 | 120.0° | 120.0° |
| CBP | CEP | H15 | H16 | 120.0° | 120.1° |
| CEP | CBP | CCP | H17 | 60.1° | 60.0° |
| CEP | CBP | CCP | H18 | 61.1° | 180.0° |
| CDP | CBP | CAP | OAP | 171.3° | 174.1° |
| CDP | CBP | CAP | C9P | 70.5° | 65.9° |
| CDP | CBP | CAP | H9 | 50.3° | 54.2° |
| CBP | CDP | H11 | H12 | 120.0° | 120.0° |
| CBP | CDP | H11 | H13 | 120.0° | 120.0° |
| CBP | CDP | H12 | H13 | 120.0° | 119.9° |
| CDP | CBP | CEP | H14 | 56.1° | 60.0° |
| CDP | CBP | CEP | H15 | 176.1° | 180.0° |
| CDP | CBP | CEP | H16 | 63.9° | 60.0° |
| CDP | CBP | CCP | H17 | 177.3° | 180.0° |
| CDP | CBP | CCP | H18 | 61.5° | 60.0° |
| CBP | CAP | OAP | C9P | 124.3° | 120.0° |
| CBP | CAP | OAP | H9 | 120.2° | 120.0° |
| CBP | CAP | C9P | H9 | 120.7° | 120.1° |
| CBP | CAP | C9P | O9P | 73.5° | 68.9° |
| CBP | CAP | C9P | N8P | 109.6° | 111.0° |
| CBP | CAP | OAP | H10 | 104.2° | 60.0° |
| CAP | CBP | CDP | H11 | 60.9° | 63.8° |
| CAP | CBP | CDP | H12 | 179.1° | 176.1° |
| CAP | CBP | CDP | H13 | 59.1° | 56.2° |
| CAP | CBP | CEP | H14 | 62.9° | 60.0° |
| CAP | CBP | CEP | H15 | 57.2° | 60.0° |
| CAP | CBP | CEP | H16 | 177.2° | 180.0° |
| CAP | CBP | CCP | H17 | 59.0° | 60.0° |
| CAP | CBP | CCP | H18 | 179.9° | 60.0° |
| OAP | CAP | C9P | H9 | 116.3° | 119.9° |
| OAP | CAP | C9P | O9P | 49.4° | 171.1° |
| OAP | CAP | C9P | N8P | 127.4° | 9.0° |
| CAP | C9P | O9P | N8P | 176.5° | 180.0° |
| CAP | C9P | N8P | C7P | 175.9° | 174.8° |
| CAP | C9P | N8P | H8 | 4.2° | 5.2° |
| C9P | CAP | OAP | H10 | 20.1° | 60.1° |
| O9P | C9P | N8P | C7P | 0.8° | 5.1° |
| O9P | C9P | N8P | H8 | 179.2° | 174.9° |
| O9P | C9P | CAP | H9 | 165.8° | 51.1° |
| C9P | N8P | C7P | H8 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 100.9° | 180.0° |
| C9P | N8P | C7P | H6 | 18.5° | 60.0° |
| C9P | N8P | C7P | H7 | 139.8° | 60.0° |
| N8P | C9P | CAP | H9 | 11.1° | 128.9° |
| N8P | C7P | C6P | H6 | 119.4° | 120.1° |
| N8P | C7P | C6P | H7 | 119.3° | 120.0° |
| N8P | C7P | C6P | C5P | 171.6° | 180.0° |
| N8P | C7P | C6P | H4 | 52.6° | 60.0° |
| N8P | C7P | C6P | H5 | 69.4° | 60.0° |
| N8P | C7P | H6 | H7 | 122.0° | 120.0° |
| C7P | C6P | C5P | H4 | 119.0° | 120.0° |
| C7P | C6P | C5P | H5 | 119.0° | 120.0° |
| C7P | C6P | C5P | O5P | 38.5° | 0.0° |
| C7P | C6P | C5P | N4P | 137.8° | 180.0° |
| C7P | C6P | H4 | H5 | 122.8° | 120.0° |
| C6P | C7P | H6 | H7 | 121.9° | 120.0° |
| C6P | C7P | N8P | H8 | 79.2° | 0.0° |
| C6P | C5P | O5P | N4P | 176.3° | 180.0° |
| C6P | C5P | N4P | C3P | 175.1° | 180.0° |
| C5P | C6P | H4 | H5 | 122.8° | 120.0° |
| C5P | C6P | C7P | H6 | 69.0° | 59.9° |
| C5P | C6P | C7P | H7 | 52.2° | 60.0° |
| C6P | C5P | N4P | H34 | 5.0° | 0.0° |
| O5P | C5P | N4P | C3P | 1.3° | 0.0° |
| O5P | C5P | C6P | H4 | 157.5° | 120.0° |
| O5P | C5P | C6P | H5 | 80.5° | 120.0° |
| O5P | C5P | N4P | H34 | 178.7° | 180.0° |
| C5P | N4P | C3P | H34 | 180.0° | 180.0° |
| C5P | N4P | C3P | C2P | 154.7° | 180.0° |
| N4P | C5P | C6P | H4 | 18.8° | 59.9° |
| N4P | C5P | C6P | H5 | 103.1° | 60.0° |
| C5P | N4P | C3P | H35 | 85.7° | 60.0° |
| C5P | N4P | C3P | H36 | 35.1° | 60.0° |
| N4P | C3P | C2P | H35 | 119.6° | 120.0° |
| N4P | C3P | C2P | H36 | 119.6° | 120.0° |
| N4P | C3P | C2P | S1P | 176.8° | 180.0° |
| N4P | C3P | H35 | H36 | 121.2° | 120.0° |
| N4P | C3P | C2P | H37 | 63.8° | 60.0° |
| N4P | C3P | C2P | H38 | 57.4° | 60.0° |
| O7' | C7' | C8' | N2' | 178.3° | 180.0° |
| O7' | C7' | N2' | C2' | 5.5° | 0.0° |
| O7' | C7' | N2' | H54 | 174.5° | 180.0° |
| O7' | C7' | C8' | H55 | 0.0° | 90.0° |
| O7' | C7' | C8' | H56 | 120.0° | 30.1° |
| O7' | C7' | C8' | H57 | 120.0° | 150.0° |
| C8' | C7' | N2' | C2' | 176.2° | 180.0° |
| C8' | C7' | N2' | H54 | 3.9° | 0.0° |
| C7' | C8' | H55 | H56 | 120.0° | 120.0° |
| C7' | C8' | H55 | H57 | 120.0° | 120.0° |
| C7' | C8' | H56 | H57 | 120.0° | 119.9° |
| C3P | C2P | S1P | H37 | 119.4° | 120.0° |
| C3P | C2P | S1P | H38 | 119.4° | 120.0° |
| C3P | C2P | S1P | C | 139.7° | 175.2° |
| C2P | C3P | N4P | H34 | 25.3° | 0.0° |
| C2P | C3P | H35 | H36 | 121.1° | 120.0° |
| C3P | C2P | H37 | H38 | 121.8° | 120.0° |
| C7' | N2' | C2' | H54 | 180.0° | 180.0° |
| C7' | N2' | C2' | C1' | 128.7° | 85.0° |
| C7' | N2' | C2' | C3' | 111.7° | 155.3° |
| C7' | N2' | C2' | H53 | 9.1° | 35.1° |
| N2' | C7' | C8' | H55 | 178.3° | 90.0° |
| N2' | C7' | C8' | H56 | 61.7° | 150.0° |
| N2' | C7' | C8' | H57 | 58.3° | 30.1° |
| C2P | S1P | C | O | 27.8° | 15.2° |
| C2P | S1P | C | N4A | 99.2° | 104.7° |
| C2P | S1P | C | CH3 | 140.6° | 135.2° |
| S1P | C2P | C3P | H35 | 57.2° | 60.0° |
| S1P | C2P | C3P | H36 | 63.6° | 60.0° |
| S1P | C2P | H37 | H38 | 121.9° | 120.0° |
| N2' | C2' | C1' | C3' | 119.8° | 119.9° |
| N2' | C2' | C1' | H53 | 120.0° | 120.2° |
| N2' | C2' | C3' | H53 | 121.3° | 120.2° |
| N2' | C2' | C3' | O3' | 60.3° | 63.2° |
| N2' | C2' | C1' | O5' | 176.8° | 177.5° |
| N2' | C2' | C1' | O1' | 56.2° | 57.6° |
| N2' | C2' | C3' | C4' | 179.6° | 176.9° |
| N2' | C2' | C3' | H46 | 60.7° | 57.0° |
| N2' | C2' | C1' | H52 | 62.9° | 62.5° |
| O4D | PA | O5B | O3B | 121.6° | 119.9° |
| O4D | PA | O5B | O6B | 124.3° | 120.0° |
| O4D | PA | O3B | O6B | 114.9° | 120.0° |
| O4D | PA | O3B | PB | 175.0° | 40.0° |
| O4D | PA | O6B | C5B | 56.7° | 55.0° |
| O4D | PA | O5B | H59 | 0.0° | 180.0° |
| C1' | C2' | C3' | H53 | 120.3° | 119.9° |
| C1' | C2' | C3' | O3' | 178.7° | 176.8° |
| C2' | C1' | O5' | O1' | 122.8° | 120.0° |
| C2' | C1' | O5' | H52 | 119.5° | 120.0° |
| C2' | C1' | O1' | H52 | 118.6° | 120.0° |
| C1' | C2' | C3' | C4' | 61.2° | 57.0° |
| C2' | C1' | O5' | C5' | 55.4° | 61.2° |
| C2' | C1' | O1' | PB | 148.4° | 150.0° |
| C1' | C2' | C3' | H46 | 57.7° | 62.9° |
| C1' | C2' | N2' | H54 | 51.2° | 95.0° |
| C2' | C3' | O3' | C4' | 115.3° | 119.6° |
| C2' | C3' | O3' | H46 | 120.6° | 120.2° |
| C3' | C2' | C1' | O5' | 57.0° | 57.6° |
| C3' | C2' | C1' | O1' | 63.7° | 62.4° |
| C2' | C3' | C4' | H46 | 118.6° | 119.9° |
| C2' | C3' | C4' | N4A | 176.2° | 176.9° |
| C2' | C3' | C4' | C5' | 64.5° | 57.0° |
| C2' | C3' | C4' | H45 | 55.5° | 62.9° |
| C2' | C3' | O3' | H47 | 180.0° | 60.5° |
| C3' | C2' | C1' | H52 | 177.3° | 177.6° |
| C3' | C2' | N2' | H54 | 68.3° | 24.7° |
| O3' | C3' | C4' | H46 | 124.2° | 120.2° |
| O3' | C3' | C4' | N4A | 59.0° | 63.2° |
| O3' | C3' | C4' | C5' | 178.3° | 176.9° |
| O3' | C3' | C4' | H45 | 61.7° | 57.0° |
| O3' | C3' | C2' | H53 | 61.0° | 57.0° |
| O | C | S1P | N4A | 127.0° | 119.9° |
| O | C | S1P | CH3 | 112.8° | 120.0° |
| O | C | N4A | C4' | 76.1° | 64.6° |
| O | C | N4A | CH3 | 113.3° | 120.0° |
| O | C | CH3 | H40 | 180.0° | 180.0° |
| O | C | CH3 | H41 | 60.0° | 60.0° |
| O | C | CH3 | H42 | 60.0° | 60.0° |
| O | C | N4A | H43 | 162.4° | 171.5° |
| S1P | C | N4A | C4' | 53.7° | 55.4° |
| S1P | C | N4A | CH3 | 116.9° | 120.0° |
| C | S1P | C2P | H37 | 100.9° | 64.8° |
| C | S1P | C2P | H38 | 20.4° | 55.2° |
| S1P | C | O | H39 | 180.0° | 60.7° |
| S1P | C | CH3 | H40 | 59.0° | 60.0° |
| S1P | C | CH3 | H41 | 179.0° | 180.0° |
| S1P | C | CH3 | H42 | 61.0° | 60.0° |
| S1P | C | N4A | H43 | 67.8° | 68.6° |
| O5' | C1' | O1' | H52 | 118.1° | 120.0° |
| C1' | O5' | C5' | C4' | 55.3° | 61.2° |
| O5' | C1' | O1' | PB | 88.3° | 90.0° |
| C1' | O5' | C5' | C6' | 173.4° | 178.8° |
| C1' | O5' | C5' | H48 | 59.7° | 58.8° |
| O5' | C1' | C2' | H53 | 63.2° | 62.3° |
| O1' | C1' | O5' | C5' | 67.4° | 58.8° |
| C1' | O1' | PB | O3B | 70.8° | 175.0° |
| C1' | O1' | PB | O1B | 37.2° | 55.0° |
| C1' | O1' | PB | O2B | 171.6° | 65.0° |
| O1' | C1' | C2' | H53 | 176.1° | 177.7° |
| C3' | C4' | N4A | C5' | 119.5° | 119.6° |
| C3' | C4' | N4A | H45 | 120.3° | 120.2° |
| C3' | C4' | C5' | H45 | 120.6° | 120.0° |
| C3' | C4' | N4A | C | 110.8° | 111.9° |
| C3' | C4' | C5' | O5' | 60.8° | 57.7° |
| C3' | C4' | C5' | C6' | 178.9° | 177.6° |
| C3' | C4' | N4A | H43 | 127.7° | 124.1° |
| C4' | C3' | O3' | H47 | 64.7° | 180.0° |
| C3' | C4' | C5' | H48 | 55.1° | 62.4° |
| C4' | C3' | C2' | H53 | 59.1° | 62.9° |
| O5B | PA | O3B | O6B | 118.4° | 120.0° |
| O5B | PA | O3B | PB | 58.4° | 79.9° |
| O5B | PA | O6B | C5B | 175.3° | 65.0° |
| PA | O3B | PB | O1' | 94.1° | 160.0° |
| O3B | PA | O6B | C5B | 56.5° | 175.0° |
| PA | O3B | PB | O1B | 149.4° | 40.0° |
| PA | O3B | PB | O2B | 13.7° | 80.0° |
| O3B | PA | O5B | H59 | 121.6° | 60.1° |
| O6B | PA | O3B | PB | 60.0° | 160.0° |
| PA | O6B | C5B | C4B | 179.3° | 180.0° |
| O6B | PA | O5B | H59 | 124.3° | 59.9° |
| PA | O6B | C5B | H60 | 60.9° | 60.0° |
| PA | O6B | C5B | H61 | 59.6° | 60.0° |
| N4A | C4' | C5' | H45 | 121.1° | 120.1° |
| C4' | N4A | C | H43 | 121.5° | 124.0° |
| C4' | N4A | C | CH3 | 170.6° | 175.4° |
| N4A | C4' | C5' | O5' | 179.1° | 177.5° |
| N4A | C4' | C5' | C6' | 62.7° | 62.5° |
| N4A | C4' | C3' | H46 | 65.3° | 57.0° |
| N4A | C4' | C5' | H48 | 63.2° | 57.5° |
| C5' | C4' | N4A | C | 129.7° | 128.5° |
| C4' | C5' | O5' | C6' | 131.4° | 119.9° |
| C4' | C5' | O5' | H48 | 115.0° | 120.0° |
| C4' | C5' | C6' | H48 | 125.8° | 120.0° |
| C5' | C4' | N4A | H43 | 8.2° | 4.5° |
| C5' | C4' | C3' | H46 | 54.1° | 62.9° |
| C4' | C5' | C6' | H49 | 180.0° | 64.1° |
| C4' | C5' | C6' | H50 | 60.0° | 175.9° |
| C4' | C5' | C6' | H51 | 60.0° | 55.9° |
| N4A | C | O | H39 | 51.6° | 59.3° |
| N4A | C | CH3 | H40 | 62.6° | 60.0° |
| N4A | C | CH3 | H41 | 57.4° | 60.0° |
| N4A | C | CH3 | H42 | 177.4° | 180.0° |
| C | N4A | C4' | H45 | 9.5° | 8.3° |
| CH3 | C | O | H39 | 66.3° | 179.3° |
| C | CH3 | H40 | H41 | 120.0° | 120.0° |
| C | CH3 | H40 | H42 | 120.0° | 120.0° |
| C | CH3 | H41 | H42 | 120.0° | 120.0° |
| CH3 | C | N4A | H43 | 49.1° | 51.5° |
| O5' | C5' | C6' | H48 | 114.3° | 120.1° |
| O5' | C5' | C4' | H45 | 59.7° | 62.4° |
| O5' | C5' | C6' | H49 | 60.0° | 55.8° |
| O5' | C5' | C6' | H50 | 179.9° | 64.2° |
| O5' | C5' | C6' | H51 | 59.9° | 175.8° |
| C5' | O5' | C1' | H52 | 174.9° | 178.8° |
| O3B | PB | O1' | O1B | 108.0° | 120.0° |
| O3B | PB | O1' | O2B | 117.7° | 120.0° |
| O3B | PB | O1B | O2B | 130.0° | 120.0° |
| O3B | PB | O2B | H58 | 124.7° | 60.0° |
| O1' | PB | O1B | O2B | 122.6° | 120.0° |
| PB | O1' | C1' | H52 | 29.8° | 30.0° |
| O1' | PB | O2B | H58 | 127.7° | 59.9° |
| C6' | C5' | C4' | H45 | 58.4° | 57.6° |
| C5' | C6' | H49 | H50 | 120.0° | 120.1° |
| C5' | C6' | H49 | H51 | 120.0° | 120.0° |
| C5' | C6' | H50 | H51 | 120.0° | 120.0° |
| O6B | C5B | C4B | H60 | 119.7° | 120.0° |
| O6B | C5B | C4B | H61 | 119.8° | 120.0° |
| O6B | C5B | C4B | C2B | 61.5° | 175.7° |
| O6B | C5B | C4B | O4B | 179.8° | 66.4° |
| O6B | C5B | H60 | H61 | 120.7° | 120.0° |
| O6B | C5B | C4B | H62 | 60.4° | 54.6° |
| O1B | PB | O2B | H58 | 0.0° | 180.0° |
| C5B | C4B | C2B | C3B | 106.6° | 121.5° |
| C5B | C4B | C2B | O4B | 115.7° | 119.4° |
| C5B | C4B | C2B | H62 | 121.7° | 121.1° |
| C5B | C4B | C2B | O4A | 134.7° | 119.9° |
| C5B | C4B | O4B | H62 | 118.4° | 121.0° |
| C5B | C4B | O4B | C1B | 136.1° | 146.0° |
| C4B | C5B | H60 | H61 | 120.7° | 120.0° |
| C5B | C4B | C2B | H63 | 9.9° | 2.7° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | N1 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 176.6° | 180.0° |
| C6 | C5 | C4 | N3 | 0.9° | 0.1° |
| C5 | C6 | N1 | C1B | 177.1° | 180.0° |
| C5 | C6 | N1 | C2 | 2.9° | 0.3° |
| C4 | C5 | C6 | N1 | 1.3° | 0.1° |
| C5 | C4 | O4 | N3 | 177.7° | 179.9° |
| C5 | C4 | N3 | C2 | 2.1° | 0.2° |
| C5 | C4 | N3 | H1 | 177.9° | 179.7° |
| C4 | C5 | C6 | H3 | 178.7° | 179.9° |
| C6 | N1 | C1B | C3B | 62.6° | 65.3° |
| C6 | N1 | C1B | O4B | 51.2° | 48.8° |
| C6 | N1 | C1B | C2 | 180.0° | 179.7° |
| C6 | N1 | C2 | N3 | 4.3° | 0.3° |
| C6 | N1 | C2 | O2 | 179.3° | 179.7° |
| N1 | C6 | C5 | H2 | 178.7° | 180.0° |
| C6 | N1 | C1B | H67 | 173.7° | 171.8° |
| C2B | C3B | O2' | C1B | 117.5° | 112.7° |
| C2B | C3B | O2' | H65 | 121.8° | 123.6° |
| C2B | C3B | C1B | H65 | 115.3° | 118.2° |
| C3B | C2B | C4B | O4A | 118.7° | 118.6° |
| C3B | C2B | C4B | H63 | 116.4° | 118.8° |
| C3B | C2B | O4A | H63 | 123.7° | 122.6° |
| C3B | C2B | C4B | O4B | 9.1° | 2.0° |
| C2B | C3B | C1B | O4B | 39.5° | 37.0° |
| C2B | C3B | C1B | N1 | 157.9° | 155.5° |
| C3B | C2B | C4B | H62 | 131.7° | 117.5° |
| C3B | C2B | O4A | H64 | 180.0° | 65.2° |
| C2B | C3B | O2' | H66 | 180.0° | 61.5° |
| C2B | C3B | C1B | H67 | 78.1° | 81.7° |
| O2' | C3B | C1B | H65 | 121.3° | 123.7° |
| O2' | C3B | C2B | C4B | 151.4° | 139.1° |
| O2' | C3B | C2B | O4A | 32.3° | 20.4° |
| O2' | C3B | C1B | O4B | 162.9° | 155.2° |
| O2' | C3B | C1B | N1 | 78.7° | 86.3° |
| O2' | C3B | C2B | H63 | 92.3° | 102.2° |
| O2' | C3B | C1B | H67 | 45.3° | 36.5° |
| C1B | C3B | C2B | C4B | 29.3° | 20.9° |
| C1B | C3B | C2B | O4A | 89.8° | 97.8° |
| C3B | C1B | O4B | C4B | 34.4° | 40.1° |
| C3B | C1B | O4B | N1 | 120.7° | 118.5° |
| C3B | C1B | O4B | H67 | 117.0° | 118.6° |
| C3B | C1B | N1 | H67 | 123.7° | 122.8° |
| C3B | C1B | N1 | C2 | 117.4° | 115.0° |
| C1B | C3B | C2B | H63 | 145.6° | 139.6° |
| C1B | C3B | O2' | H66 | 62.5° | 174.1° |
| C4B | C2B | O4A | H63 | 123.9° | 122.6° |
| C2B | C4B | O4B | H62 | 121.5° | 119.6° |
| C2B | C4B | O4B | C1B | 15.9° | 26.5° |
| C2B | C4B | C5B | H60 | 178.8° | 64.3° |
| C2B | C4B | C5B | H61 | 58.3° | 55.7° |
| C4B | C2B | O4A | H64 | 67.5° | 180.0° |
| C4B | C2B | C3B | H65 | 86.0° | 97.4° |
| O4A | C2B | C4B | O4B | 109.6° | 120.7° |
| O4A | C2B | C4B | H62 | 13.0° | 1.2° |
| O4A | C2B | C3B | H65 | 154.9° | 144.0° |
| O4 | C4 | N3 | C2 | 175.4° | 180.0° |
| O4 | C4 | N3 | H1 | 4.6° | 0.1° |
| O4 | C4 | C5 | H2 | 3.5° | 0.1° |
| C4 | N3 | C2 | N1 | 3.8° | 0.0° |
| C4 | N3 | C2 | H1 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 179.5° | 180.0° |
| N3 | C4 | C5 | H2 | 179.0° | 179.8° |
| C4B | O4B | C1B | N1 | 155.1° | 158.6° |
| O4B | C4B | C5B | H60 | 60.5° | 53.6° |
| O4B | C4B | C5B | H61 | 60.0° | 173.5° |
| O4B | C4B | C2B | H63 | 125.5° | 116.8° |
| C4B | O4B | C1B | H67 | 82.6° | 78.5° |
| O4B | C1B | N1 | H67 | 122.4° | 123.1° |
| O4B | C1B | N1 | C2 | 128.8° | 130.9° |
| C1B | O4B | C4B | H62 | 105.5° | 93.1° |
| O4B | C1B | C3B | H65 | 75.8° | 81.1° |
| C1B | N1 | C2 | N3 | 175.7° | 179.9° |
| C1B | N1 | C2 | O2 | 0.7° | 0.1° |
| C1B | N1 | C6 | H3 | 2.9° | 0.0° |
| N1 | C1B | C3B | H65 | 42.6° | 37.4° |
| N1 | C2 | N3 | O2 | 176.7° | 180.0° |
| N1 | C2 | N3 | H1 | 176.2° | 179.9° |
| C2 | N1 | C6 | H3 | 177.1° | 179.7° |
| C2 | N1 | C1B | H67 | 6.3° | 7.8° |
| O2 | C2 | N3 | H1 | 0.5° | 0.1° |
| H2 | C5 | C6 | H3 | 1.3° | 0.0° |
| H4 | C6P | C7P | H6 | 171.9° | 179.9° |
| H4 | C6P | C7P | H7 | 66.8° | 60.0° |
| H5 | C6P | C7P | H6 | 50.0° | 60.1° |
| H5 | C6P | C7P | H7 | 171.3° | 180.0° |
| H6 | C7P | N8P | H8 | 161.5° | 120.1° |
| H7 | C7P | N8P | H8 | 40.2° | 120.0° |
| H9 | CAP | OAP | H10 | 135.6° | 180.0° |
| H11 | CDP | H12 | H13 | 120.0° | 120.0° |
| H14 | CEP | H15 | H16 | 120.0° | 119.9° |
| H21 | C5C | C4C | H23 | 90.5° | 172.7° |
| H22 | C5C | C4C | H23 | 29.9° | 67.4° |
| H23 | C4C | C3C | H24 | 92.4° | 146.5° |
| H24 | C3C | C2C | H27 | 40.7° | 0.2° |
| H27 | C2C | O2C | H28 | 56.6° | 57.4° |
| H27 | C2C | C1A | H29 | 150.9° | 146.4° |
| H34 | N4P | C3P | H35 | 94.3° | 120.0° |
| H34 | N4P | C3P | H36 | 144.9° | 120.0° |
| H35 | C3P | C2P | H37 | 176.6° | 180.0° |
| H35 | C3P | C2P | H38 | 62.2° | 60.0° |
| H36 | C3P | C2P | H37 | 55.8° | 60.0° |
| H36 | C3P | C2P | H38 | 177.0° | 180.0° |
| H40 | CH3 | H41 | H42 | 120.0° | 120.0° |
| H43 | N4A | C4' | H45 | 112.0° | 115.6° |
| H45 | C4' | C3' | H46 | 174.0° | 177.2° |
| H45 | C4' | C5' | H48 | 175.6° | 177.6° |
| H46 | C3' | O3' | H47 | 59.4° | 59.8° |
| H46 | C3' | C2' | H53 | 178.0° | 177.2° |
| H48 | C5' | C6' | H49 | 54.2° | 175.9° |
| H48 | C5' | C6' | H50 | 65.8° | 55.9° |
| H48 | C5' | C6' | H51 | 174.2° | 64.1° |
| H49 | C6' | H50 | H51 | 120.0° | 119.9° |
| H52 | C1' | C2' | H53 | 57.1° | 57.7° |
| H53 | C2' | N2' | H54 | 170.8° | 144.9° |
| H55 | C8' | H56 | H57 | 120.0° | 120.1° |
| H60 | C5B | C4B | H62 | 59.4° | 174.6° |
| H61 | C5B | C4B | H62 | 179.9° | 65.5° |
| H62 | C4B | C2B | H63 | 111.9° | 123.7° |
| H63 | C2B | O4A | H64 | 56.3° | 57.4° |
| H63 | C2B | C3B | H65 | 30.3° | 21.4° |
| H65 | C3B | O2' | H66 | 58.2° | 62.1° |
| H65 | C3B | C1B | H67 | 166.6° | 160.2° |
