JBT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9A | P3B | doub | 1.48Å | 1.57Å | |
| O7A | P3B | sing | 1.61Å | 1.49Å | |
| C2A | N3A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.37Å | Aromatic |
| N3A | C4A | sing | 1.33Å | 1.27Å | Aromatic |
| P3B | O3B | sing | 1.61Å | 1.61Å | |
| P3B | O8A | sing | 1.61Å | 1.48Å | |
| O4B | C4B | sing | 1.44Å | 1.47Å | |
| O4B | C1B | sing | 1.44Å | 1.46Å | |
| O3B | C3B | sing | 1.43Å | 1.44Å | |
| N1A | C6A | doub | 1.33Å | 1.30Å | Aromatic |
| C4B | C5B | sing | 1.53Å | 1.54Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C1B | N9A | sing | 1.47Å | 1.44Å | |
| C1B | C2B | sing | 1.54Å | 1.46Å | |
| C4A | N9A | sing | 1.37Å | 1.42Å | Aromatic |
| C4A | C5A | doub | 1.40Å | 1.37Å | Aromatic |
| CDP | CBP | sing | 1.53Å | 1.53Å | |
| C5B | O5B | sing | 1.43Å | 1.49Å | |
| O4A | P2A | doub | 1.48Å | 1.45Å | |
| N9A | C8A | sing | 1.36Å | 1.32Å | Aromatic |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C6A | C5A | sing | 1.41Å | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.34Å | |
| C5A | N7A | sing | 1.35Å | 1.36Å | Aromatic |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| CEP | CBP | sing | 1.53Å | 1.52Å | |
| CCP | CBP | sing | 1.53Å | 1.46Å | |
| CCP | O6A | sing | 1.43Å | 1.39Å | |
| CBP | CAP | sing | 1.53Å | 1.57Å | |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| O5B | P1A | sing | 1.61Å | 1.53Å | |
| P2A | O3A | sing | 1.61Å | 1.66Å | |
| P2A | O6A | sing | 1.61Å | 1.56Å | |
| P2A | O5A | sing | 1.61Å | 1.52Å | |
| O3A | P1A | sing | 1.61Å | 1.54Å | |
| O2A | P1A | doub | 1.48Å | 1.47Å | |
| O9P | C9P | doub | 1.21Å | 1.24Å | |
| P1A | O1A | sing | 1.61Å | 1.47Å | |
| CAP | C9P | sing | 1.51Å | 1.48Å | |
| CAP | OAP | sing | 1.43Å | 1.45Å | |
| C9P | N8P | sing | 1.35Å | 1.31Å | |
| N8P | C7P | sing | 1.46Å | 1.45Å | |
| C7P | C6P | sing | 1.53Å | 1.42Å | |
| C6P | C5P | sing | 1.51Å | 1.48Å | |
| O5P | C5P | doub | 1.21Å | 1.21Å | |
| C5P | N4P | sing | 1.35Å | 1.33Å | |
| N4P | C3P | sing | 1.46Å | 1.45Å | |
| C3P | C2P | sing | 1.53Å | 1.45Å | |
| C2P | S1P | sing | 1.81Å | 1.79Å | |
| S1P | C01 | sing | 1.82Å | 1.88Å | |
| C6G | C5G | sing | 1.53Å | 1.54Å | |
| O2G | C2G | sing | 1.43Å | 1.45Å | |
| O5G | C5G | sing | 1.43Å | 1.43Å | |
| O5G | C1G | sing | 1.43Å | 1.39Å | |
| O6 | C6 | doub | 1.22Å | 1.28Å | |
| C5G | C4G | sing | 1.53Å | 1.51Å | |
| C4G | N4A | sing | 1.47Å | 1.48Å | |
| C4G | C3G | sing | 1.53Å | 1.52Å | |
| C01 | N4A | sing | 1.47Å | 1.45Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C1G | C2G | sing | 1.53Å | 1.48Å | |
| C1G | O1G | sing | 1.43Å | 1.41Å | |
| C2G | C3G | sing | 1.53Å | 1.55Å | |
| N7 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| O3G | C3G | sing | 1.43Å | 1.44Å | |
| O3P | P2 | doub | 1.48Å | 1.47Å | |
| C6 | C5 | sing | 1.41Å | 1.36Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| O1G | P2 | sing | 1.61Å | 1.59Å | |
| N1 | C2 | sing | 1.36Å | 1.39Å | |
| P2 | OPP | sing | 1.61Å | 1.61Å | |
| P2 | O4P | sing | 1.61Å | 1.46Å | |
| OPP | P | sing | 1.61Å | 1.59Å | |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| N9 | C1' | sing | 1.46Å | 1.45Å | |
| C2 | N3 | doub | 1.31Å | 1.32Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| O2P | P | doub | 1.48Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.47Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| P | O5' | sing | 1.61Å | 1.57Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| N4P | H1 | sing | 0.97Å | 1.00Å | |
| C3P | H2 | sing | 1.09Å | 1.10Å | |
| C3P | H3 | sing | 1.09Å | 1.10Å | |
| C2P | H4 | sing | 1.09Å | 1.10Å | |
| C2P | H5 | sing | 1.09Å | 1.10Å | |
| C6P | H6 | sing | 1.09Å | 1.10Å | |
| C6P | H7 | sing | 1.09Å | 1.10Å | |
| C7P | H8 | sing | 1.09Å | 1.10Å | |
| C7P | H9 | sing | 1.09Å | 1.10Å | |
| N8P | H10 | sing | 0.97Å | 1.00Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| OAP | H12 | sing | 0.97Å | 0.95Å | |
| CDP | H13 | sing | 1.09Å | 1.10Å | |
| CDP | H14 | sing | 1.09Å | 1.10Å | |
| CDP | H15 | sing | 1.09Å | 1.10Å | |
| CEP | H16 | sing | 1.09Å | 1.10Å | |
| CEP | H17 | sing | 1.09Å | 1.10Å | |
| CEP | H18 | sing | 1.09Å | 1.10Å | |
| CCP | H19 | sing | 1.09Å | 1.10Å | |
| CCP | H20 | sing | 1.09Å | 1.10Å | |
| O5A | H21 | sing | 0.97Å | 0.95Å | |
| O1A | H22 | sing | 0.97Å | 0.95Å | |
| C5B | H23 | sing | 1.09Å | 1.10Å | |
| C5B | H24 | sing | 1.09Å | 1.10Å | |
| C4B | H25 | sing | 1.09Å | 1.10Å | |
| C3B | H26 | sing | 1.09Å | 1.10Å | |
| O8A | H27 | sing | 0.97Å | 0.95Å | |
| O7A | H28 | sing | 0.97Å | 0.95Å | |
| C2B | H29 | sing | 1.09Å | 1.10Å | |
| O2B | H30 | sing | 0.97Å | 0.95Å | |
| C1B | H31 | sing | 1.09Å | 1.10Å | |
| C2A | H32 | sing | 1.08Å | 1.08Å | |
| C8A | H33 | sing | 1.08Å | 1.08Å | |
| N6A | H34 | sing | 0.97Å | 1.00Å | |
| N6A | H35 | sing | 0.97Å | 1.00Å | |
| C8 | H36 | sing | 1.08Å | 1.08Å | |
| N1 | H37 | sing | 0.97Å | 1.00Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| C1' | H40 | sing | 1.09Å | 1.10Å | |
| C2' | H41 | sing | 1.09Å | 1.10Å | |
| O2' | H42 | sing | 0.97Å | 0.95Å | |
| C3' | H43 | sing | 1.09Å | 1.10Å | |
| O3' | H44 | sing | 0.97Å | 0.95Å | |
| C4' | H45 | sing | 1.09Å | 1.10Å | |
| C5' | H46 | sing | 1.09Å | 1.10Å | |
| C5' | H47 | sing | 1.09Å | 1.10Å | |
| O1P | H48 | sing | 0.97Å | 0.95Å | |
| O4P | H49 | sing | 0.97Å | 0.95Å | |
| C1G | H50 | sing | 1.09Å | 1.10Å | |
| C5G | H51 | sing | 1.09Å | 1.10Å | |
| C6G | H52 | sing | 1.09Å | 1.10Å | |
| C6G | H53 | sing | 1.09Å | 1.10Å | |
| C6G | H54 | sing | 1.09Å | 1.10Å | |
| C2G | H55 | sing | 1.09Å | 1.10Å | |
| O2G | H56 | sing | 0.97Å | 0.95Å | |
| C3G | H57 | sing | 1.09Å | 1.10Å | |
| O3G | H58 | sing | 0.97Å | 0.95Å | |
| C4G | H59 | sing | 1.09Å | 1.10Å | |
| N4A | H60 | sing | 1.01Å | 1.00Å | |
| C01 | H62 | sing | 1.09Å | 1.10Å | |
| C02 | H63 | sing | 1.09Å | 1.10Å | |
| C02 | H64 | sing | 1.09Å | 1.10Å | |
| C02 | H65 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9A | P3B | O7A | 112.8° | 109.5° |
| O9A | P3B | O3B | 106.0° | 109.5° |
| O9A | P3B | O8A | 110.2° | 109.4° |
| O7A | P3B | O3B | 101.3° | 109.5° |
| O7A | P3B | O8A | 116.9° | 109.5° |
| P3B | O7A | H28 | 109.5° | 114.0° |
| N3A | C2A | N1A | 124.8° | 122.5° |
| C2A | N3A | C4A | 113.8° | 120.6° |
| N3A | C2A | H32 | 117.6° | 118.8° |
| C2A | N1A | C6A | 119.5° | 121.2° |
| N1A | C2A | H32 | 117.6° | 118.7° |
| N3A | C4A | N9A | 129.4° | 134.9° |
| N3A | C4A | C5A | 126.6° | 119.1° |
| O3B | P3B | O8A | 108.6° | 109.5° |
| P3B | O3B | C3B | 119.1° | 123.0° |
| P3B | O8A | H27 | 109.5° | 114.0° |
| C4B | O4B | C1B | 112.0° | 105.2° |
| O4B | C4B | C5B | 106.5° | 110.3° |
| O4B | C4B | C3B | 105.7° | 104.8° |
| O4B | C4B | H25 | 108.2° | 110.5° |
| O4B | C1B | N9A | 104.8° | 110.4° |
| O4B | C1B | C2B | 102.4° | 104.8° |
| O4B | C1B | H31 | 110.2° | 110.4° |
| O3B | C3B | C4B | 111.8° | 110.5° |
| O3B | C3B | C2B | 102.0° | 110.5° |
| O3B | C3B | H26 | 114.6° | 110.5° |
| N1A | C6A | C5A | 117.9° | 118.5° |
| N1A | C6A | N6A | 119.4° | 120.8° |
| C5B | C4B | C3B | 121.1° | 110.4° |
| C4B | C5B | O5B | 108.4° | 109.5° |
| C4B | C5B | H23 | 109.7° | 109.5° |
| C4B | C5B | H24 | 109.7° | 109.4° |
| C5B | C4B | H25 | 107.4° | 110.4° |
| C4B | C3B | C2B | 101.2° | 104.1° |
| C3B | C4B | H25 | 107.4° | 110.4° |
| C4B | C3B | H26 | 112.9° | 110.5° |
| N9A | C1B | C2B | 118.2° | 110.4° |
| C1B | N9A | C4A | 127.8° | 126.3° |
| C1B | N9A | C8A | 124.6° | 126.3° |
| N9A | C1B | H31 | 110.5° | 110.3° |
| C1B | C2B | C3B | 109.1° | 104.0° |
| C1B | C2B | O2B | 113.8° | 110.5° |
| C1B | C2B | H29 | 105.5° | 110.6° |
| C2B | C1B | H31 | 110.2° | 110.5° |
| N9A | C4A | C5A | 104.0° | 106.0° |
| C4A | N9A | C8A | 107.2° | 107.4° |
| C4A | C5A | C6A | 117.4° | 118.2° |
| C4A | C5A | N7A | 110.2° | 107.2° |
| CDP | CBP | CEP | 108.3° | 109.5° |
| CDP | CBP | CCP | 105.3° | 109.4° |
| CDP | CBP | CAP | 111.0° | 109.5° |
| CBP | CDP | H13 | 109.5° | 109.5° |
| CBP | CDP | H14 | 109.5° | 109.5° |
| CBP | CDP | H15 | 109.5° | 109.5° |
| C5B | O5B | P1A | 119.2° | 123.0° |
| O5B | C5B | H23 | 109.8° | 109.5° |
| O5B | C5B | H24 | 109.7° | 109.5° |
| O4A | P2A | O3A | 98.0° | 109.5° |
| O4A | P2A | O6A | 108.2° | 109.5° |
| O4A | P2A | O5A | 128.4° | 109.5° |
| N9A | C8A | N7A | 112.0° | 109.9° |
| N9A | C8A | H33 | 124.0° | 125.0° |
| C3B | C2B | O2B | 116.6° | 110.5° |
| C2B | C3B | H26 | 113.0° | 110.5° |
| C3B | C2B | H29 | 104.8° | 110.5° |
| C5A | C6A | N6A | 122.6° | 120.8° |
| C6A | C5A | N7A | 132.3° | 134.7° |
| C6A | N6A | H34 | 109.5° | 120.0° |
| C6A | N6A | H35 | 109.5° | 120.0° |
| C5A | N7A | C8A | 106.5° | 109.5° |
| O2B | C2B | H29 | 106.0° | 110.5° |
| C2B | O2B | H30 | 109.5° | 114.0° |
| CEP | CBP | CCP | 114.7° | 109.5° |
| CEP | CBP | CAP | 109.7° | 109.5° |
| CBP | CEP | H16 | 109.5° | 109.5° |
| CBP | CEP | H17 | 109.4° | 109.5° |
| CBP | CEP | H18 | 109.5° | 109.5° |
| CBP | CCP | O6A | 114.8° | 109.5° |
| CCP | CBP | CAP | 107.7° | 109.5° |
| CBP | CCP | H19 | 108.1° | 109.5° |
| CBP | CCP | H20 | 108.1° | 109.5° |
| CCP | O6A | P2A | 120.5° | 123.0° |
| O6A | CCP | H19 | 108.1° | 109.5° |
| O6A | CCP | H20 | 108.2° | 109.5° |
| CBP | CAP | C9P | 115.2° | 109.4° |
| CBP | CAP | OAP | 113.4° | 109.5° |
| CBP | CAP | H11 | 105.3° | 109.5° |
| N7A | C8A | H33 | 124.0° | 125.0° |
| O5B | P1A | O3A | 96.7° | 109.5° |
| O5B | P1A | O2A | 110.8° | 109.5° |
| O5B | P1A | O1A | 109.8° | 109.4° |
| O3A | P2A | O6A | 99.7° | 109.4° |
| O3A | P2A | O5A | 112.3° | 109.5° |
| P2A | O3A | P1A | 133.8° | 134.0° |
| O6A | P2A | O5A | 106.6° | 109.5° |
| P2A | O5A | H21 | 109.5° | 114.1° |
| O3A | P1A | O2A | 112.0° | 109.5° |
| O3A | P1A | O1A | 108.1° | 109.5° |
| O2A | P1A | O1A | 117.4° | 109.5° |
| O9P | C9P | CAP | 122.7° | 120.0° |
| O9P | C9P | N8P | 121.4° | 120.0° |
| P1A | O1A | H22 | 109.5° | 114.0° |
| C9P | CAP | OAP | 109.5° | 109.5° |
| CAP | C9P | N8P | 115.9° | 120.0° |
| C9P | CAP | H11 | 106.1° | 109.5° |
| OAP | CAP | H11 | 106.6° | 109.5° |
| CAP | OAP | H12 | 109.5° | 114.0° |
| C9P | N8P | C7P | 123.1° | 120.0° |
| C9P | N8P | H10 | 118.4° | 120.0° |
| N8P | C7P | C6P | 111.3° | 109.5° |
| N8P | C7P | H8 | 109.0° | 109.5° |
| N8P | C7P | H9 | 109.0° | 109.5° |
| C7P | N8P | H10 | 118.4° | 120.0° |
| C7P | C6P | C5P | 116.4° | 109.5° |
| C7P | C6P | H6 | 107.7° | 109.5° |
| C7P | C6P | H7 | 107.7° | 109.5° |
| C6P | C7P | H8 | 109.0° | 109.4° |
| C6P | C7P | H9 | 109.0° | 109.5° |
| C6P | C5P | O5P | 121.6° | 120.0° |
| C6P | C5P | N4P | 116.7° | 120.0° |
| C5P | C6P | H6 | 107.7° | 109.5° |
| C5P | C6P | H7 | 107.7° | 109.4° |
| O5P | C5P | N4P | 121.7° | 120.0° |
| C5P | N4P | C3P | 124.2° | 120.1° |
| C5P | N4P | H1 | 117.9° | 120.0° |
| N4P | C3P | C2P | 112.9° | 109.5° |
| C3P | N4P | H1 | 117.9° | 119.9° |
| N4P | C3P | H2 | 108.6° | 109.4° |
| N4P | C3P | H3 | 108.6° | 109.5° |
| C3P | C2P | S1P | 113.3° | 109.5° |
| C2P | C3P | H2 | 108.6° | 109.5° |
| C2P | C3P | H3 | 108.6° | 109.5° |
| C3P | C2P | H4 | 108.5° | 109.5° |
| C3P | C2P | H5 | 108.5° | 109.5° |
| C2P | S1P | C01 | 103.8° | 103.0° |
| S1P | C2P | H4 | 108.5° | 109.5° |
| S1P | C2P | H5 | 108.5° | 109.4° |
| S1P | C01 | N4A | 115.0° | 109.5° |
| S1P | C01 | C02 | 104.5° | 109.5° |
| S1P | C01 | H62 | 106.3° | 109.5° |
| C6G | C5G | O5G | 102.9° | 109.5° |
| C6G | C5G | C4G | 114.3° | 109.4° |
| C6G | C5G | H51 | 108.3° | 109.5° |
| C5G | C6G | H52 | 109.5° | 109.5° |
| C5G | C6G | H53 | 109.5° | 109.5° |
| C5G | C6G | H54 | 109.5° | 109.5° |
| O2G | C2G | C1G | 107.5° | 109.6° |
| O2G | C2G | C3G | 109.8° | 109.5° |
| O2G | C2G | H55 | 110.9° | 109.6° |
| C2G | O2G | H56 | 109.5° | 114.0° |
| C5G | O5G | C1G | 113.3° | 114.1° |
| O5G | C5G | C4G | 112.7° | 109.4° |
| O5G | C5G | H51 | 109.7° | 109.5° |
| O5G | C1G | C2G | 112.8° | 109.5° |
| O5G | C1G | O1G | 111.0° | 109.5° |
| O5G | C1G | H50 | 108.1° | 109.5° |
| O6 | C6 | C5 | 127.1° | 120.8° |
| O6 | C6 | N1 | 117.2° | 120.8° |
| C5G | C4G | N4A | 110.6° | 109.5° |
| C5G | C4G | C3G | 109.7° | 109.1° |
| C4G | C5G | H51 | 108.7° | 109.5° |
| C5G | C4G | H59 | 109.2° | 109.6° |
| N4A | C4G | C3G | 108.5° | 109.5° |
| C4G | N4A | C01 | 116.4° | 111.0° |
| N4A | C4G | H59 | 109.7° | 109.6° |
| C4G | N4A | H60 | 107.7° | 111.0° |
| C4G | C3G | C2G | 110.9° | 109.0° |
| C4G | C3G | O3G | 108.6° | 109.6° |
| C4G | C3G | H57 | 109.3° | 109.6° |
| C3G | C4G | H59 | 109.1° | 109.6° |
| N4A | C01 | C02 | 109.2° | 109.5° |
| C01 | N4A | H60 | 107.7° | 111.0° |
| N4A | C01 | H62 | 111.3° | 109.5° |
| C02 | C01 | H62 | 110.2° | 109.5° |
| C01 | C02 | H63 | 109.5° | 109.5° |
| C01 | C02 | H64 | 109.4° | 109.5° |
| C01 | C02 | H65 | 109.5° | 109.5° |
| C2G | C1G | O1G | 109.8° | 109.5° |
| C1G | C2G | C3G | 108.7° | 109.1° |
| C2G | C1G | H50 | 107.0° | 109.4° |
| C1G | C2G | H55 | 110.5° | 109.6° |
| C1G | O1G | P2 | 120.7° | 123.0° |
| O1G | C1G | H50 | 107.9° | 109.5° |
| C2G | C3G | O3G | 108.8° | 109.5° |
| C3G | C2G | H55 | 109.5° | 109.5° |
| C2G | C3G | H57 | 108.9° | 109.5° |
| C5 | N7 | C8 | 105.9° | 109.3° |
| N7 | C5 | C6 | 134.2° | 134.1° |
| N7 | C5 | C4 | 107.4° | 107.3° |
| N7 | C8 | N9 | 113.0° | 109.8° |
| N7 | C8 | H36 | 123.5° | 125.1° |
| O3G | C3G | H57 | 110.4° | 109.5° |
| C3G | O3G | H58 | 109.5° | 114.0° |
| O3P | P2 | O1G | 112.0° | 109.5° |
| O3P | P2 | OPP | 106.1° | 109.5° |
| O3P | P2 | O4P | 119.9° | 109.5° |
| C5 | C6 | N1 | 115.8° | 118.3° |
| C6 | C5 | C4 | 118.3° | 118.6° |
| C6 | N1 | C2 | 122.4° | 120.4° |
| C6 | N1 | H37 | 118.8° | 119.8° |
| C5 | C4 | N9 | 107.0° | 106.1° |
| C5 | C4 | N3 | 126.3° | 119.7° |
| C8 | N9 | C4 | 106.5° | 107.5° |
| C8 | N9 | C1' | 127.8° | 126.3° |
| N9 | C8 | H36 | 123.5° | 125.1° |
| O1G | P2 | OPP | 101.1° | 109.5° |
| O1G | P2 | O4P | 106.6° | 109.4° |
| N1 | C2 | N3 | 123.0° | 121.9° |
| N1 | C2 | N2 | 115.5° | 119.1° |
| C2 | N1 | H37 | 118.8° | 119.8° |
| OPP | P2 | O4P | 109.4° | 109.5° |
| P2 | OPP | P | 130.4° | 134.0° |
| P2 | O4P | H49 | 109.5° | 114.0° |
| OPP | P | O2P | 104.8° | 109.4° |
| OPP | P | O5' | 104.1° | 109.5° |
| OPP | P | O1P | 111.2° | 109.5° |
| N9 | C4 | N3 | 126.7° | 134.2° |
| C4 | N9 | C1' | 125.7° | 126.2° |
| C4 | N3 | C2 | 114.1° | 121.1° |
| N9 | C1' | O4' | 106.8° | 110.6° |
| N9 | C1' | C2' | 117.6° | 110.7° |
| N9 | C1' | H40 | 109.9° | 110.6° |
| N3 | C2 | N2 | 121.5° | 119.0° |
| C2 | N2 | H38 | 120.0° | 120.0° |
| C2 | N2 | H39 | 120.0° | 120.0° |
| O2P | P | O5' | 111.1° | 109.5° |
| O2P | P | O1P | 118.8° | 109.5° |
| C1' | O4' | C4' | 108.3° | 107.0° |
| O4' | C1' | C2' | 103.3° | 103.5° |
| O4' | C1' | H40 | 110.1° | 110.8° |
| O4' | C4' | C5' | 107.9° | 109.9° |
| O4' | C4' | C3' | 107.4° | 107.3° |
| O4' | C4' | H45 | 109.2° | 109.9° |
| C4' | C5' | O5' | 107.3° | 109.5° |
| C5' | C4' | C3' | 115.1° | 109.9° |
| C5' | C4' | H45 | 108.9° | 109.9° |
| C4' | C5' | H46 | 110.0° | 109.5° |
| C4' | C5' | H47 | 110.0° | 109.5° |
| C5' | O5' | P | 121.8° | 123.0° |
| O5' | C5' | H46 | 110.0° | 109.4° |
| O5' | C5' | H47 | 110.0° | 109.5° |
| O5' | P | O1P | 106.1° | 109.5° |
| P | O1P | H48 | 109.5° | 114.0° |
| C1' | C2' | C3' | 103.0° | 102.1° |
| C1' | C2' | O2' | 111.4° | 110.9° |
| C2' | C1' | H40 | 108.8° | 110.6° |
| C1' | C2' | H41 | 106.6° | 110.9° |
| C4' | C3' | C2' | 103.4° | 104.2° |
| C4' | C3' | O3' | 113.4° | 110.5° |
| C4' | C3' | H43 | 108.3° | 110.6° |
| C3' | C4' | H45 | 108.2° | 109.9° |
| C3' | C2' | O2' | 120.1° | 110.9° |
| C2' | C3' | O3' | 113.3° | 110.5° |
| C3' | C2' | H41 | 106.9° | 110.9° |
| C2' | C3' | H43 | 108.6° | 110.5° |
| O2' | C2' | H41 | 108.2° | 110.8° |
| C2' | O2' | H42 | 109.5° | 114.0° |
| O3' | C3' | H43 | 109.6° | 110.4° |
| C3' | O3' | H44 | 109.5° | 114.0° |
| H2 | C3P | H3 | 109.5° | 109.4° |
| H4 | C2P | H5 | 109.5° | 109.5° |
| H6 | C6P | H7 | 109.5° | 109.5° |
| H8 | C7P | H9 | 109.4° | 109.4° |
| H13 | CDP | H14 | 109.5° | 109.4° |
| H13 | CDP | H15 | 109.5° | 109.5° |
| H14 | CDP | H15 | 109.4° | 109.4° |
| H16 | CEP | H17 | 109.5° | 109.5° |
| H16 | CEP | H18 | 109.5° | 109.5° |
| H17 | CEP | H18 | 109.5° | 109.5° |
| H19 | CCP | H20 | 109.5° | 109.4° |
| H23 | C5B | H24 | 109.5° | 109.5° |
| H34 | N6A | H35 | 109.4° | 120.0° |
| H38 | N2 | H39 | 120.0° | 120.0° |
| H46 | C5' | H47 | 109.5° | 109.5° |
| H52 | C6G | H53 | 109.5° | 109.5° |
| H52 | C6G | H54 | 109.5° | 109.5° |
| H53 | C6G | H54 | 109.5° | 109.5° |
| H63 | C02 | H64 | 109.5° | 109.5° |
| H63 | C02 | H65 | 109.5° | 109.5° |
| H64 | C02 | H65 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9A | P3B | O7A | O3B | 112.9° | 120.0° |
| O9A | P3B | O7A | O8A | 129.3° | 120.0° |
| O9A | P3B | O3B | O8A | 118.4° | 120.0° |
| O9A | P3B | O3B | C3B | 69.7° | 55.0° |
| O9A | P3B | O8A | H27 | 0.0° | 60.0° |
| O9A | P3B | O7A | H28 | 0.0° | 180.0° |
| O7A | P3B | O3B | O8A | 123.6° | 120.0° |
| O7A | P3B | O3B | C3B | 172.3° | 65.0° |
| O7A | P3B | O8A | H27 | 130.6° | 60.0° |
| N3A | C2A | N1A | H32 | 180.0° | 179.9° |
| N3A | C2A | N1A | C6A | 1.8° | 0.1° |
| C2A | N3A | C4A | N9A | 178.0° | 180.0° |
| C2A | N3A | C4A | C5A | 0.6° | 0.0° |
| N1A | C2A | N3A | C4A | 0.8° | 0.0° |
| C2A | N1A | C6A | C5A | 1.3° | 0.1° |
| C2A | N1A | C6A | N6A | 179.2° | 180.0° |
| N3A | C4A | N9A | C1B | 6.2° | 0.0° |
| N3A | C4A | N9A | C5A | 177.8° | 180.0° |
| N3A | C4A | N9A | C8A | 179.5° | 179.7° |
| N3A | C4A | C5A | C6A | 1.0° | 0.0° |
| N3A | C4A | C5A | N7A | 179.3° | 179.8° |
| C4A | N3A | C2A | H32 | 179.2° | 180.0° |
| P3B | O3B | C3B | C4B | 96.1° | 120.0° |
| P3B | O3B | C3B | C2B | 156.6° | 125.3° |
| P3B | O3B | C3B | H26 | 34.1° | 2.7° |
| O3B | P3B | O8A | H27 | 115.7° | 180.0° |
| O3B | P3B | O7A | H28 | 112.9° | 60.0° |
| O8A | P3B | O3B | C3B | 48.7° | 175.0° |
| O8A | P3B | O7A | H28 | 129.4° | 60.1° |
| O4B | C4B | C3B | O3B | 89.7° | 142.7° |
| O4B | C4B | C5B | C3B | 120.5° | 115.3° |
| O4B | C4B | C5B | H25 | 115.8° | 122.4° |
| O4B | C4B | C3B | H25 | 115.4° | 118.9° |
| C4B | O4B | C1B | N9A | 142.2° | 159.4° |
| C4B | O4B | C1B | C2B | 18.2° | 40.6° |
| O4B | C4B | C5B | O5B | 75.4° | 69.6° |
| O4B | C4B | C3B | C2B | 18.2° | 24.0° |
| O4B | C4B | C5B | H23 | 44.5° | 50.4° |
| O4B | C4B | C5B | H24 | 164.8° | 170.4° |
| O4B | C4B | C3B | H26 | 139.3° | 94.7° |
| C4B | O4B | C1B | H31 | 98.9° | 78.5° |
| C1B | O4B | C4B | C5B | 129.4° | 159.3° |
| C1B | O4B | C4B | C3B | 0.6° | 40.5° |
| O4B | C1B | N9A | C2B | 113.1° | 115.4° |
| O4B | C1B | N9A | H31 | 118.7° | 122.2° |
| O4B | C1B | C2B | H31 | 117.2° | 118.9° |
| O4B | C1B | N9A | C4A | 116.2° | 156.2° |
| O4B | C1B | N9A | C8A | 56.0° | 23.5° |
| O4B | C1B | C2B | C3B | 30.5° | 24.0° |
| O4B | C1B | C2B | O2B | 162.6° | 142.6° |
| C1B | O4B | C4B | H25 | 115.4° | 78.3° |
| O4B | C1B | C2B | H29 | 81.6° | 94.6° |
| O3B | C3B | C4B | C5B | 149.4° | 98.6° |
| O3B | C3B | C4B | C2B | 107.9° | 118.7° |
| O3B | C3B | C4B | H26 | 131.0° | 122.7° |
| O3B | C3B | C2B | C1B | 84.6° | 118.7° |
| O3B | C3B | C2B | H26 | 123.6° | 122.7° |
| O3B | C3B | C2B | O2B | 45.9° | 0.0° |
| O3B | C3B | C4B | H25 | 25.7° | 23.8° |
| O3B | C3B | C2B | H29 | 162.8° | 122.6° |
| N1A | C6A | C5A | C4A | 0.1° | 0.1° |
| N1A | C6A | C5A | N6A | 177.8° | 179.9° |
| N1A | C6A | C5A | N7A | 179.6° | 179.8° |
| C6A | N1A | C2A | H32 | 178.2° | 180.0° |
| N1A | C6A | N6A | H34 | 0.0° | 179.9° |
| N1A | C6A | N6A | H35 | 120.0° | 0.1° |
| C5B | C4B | C3B | H25 | 123.7° | 122.3° |
| C4B | C5B | O5B | H23 | 119.8° | 120.0° |
| C4B | C5B | O5B | H24 | 119.8° | 120.0° |
| C5B | C4B | C3B | C2B | 102.7° | 142.8° |
| C4B | C5B | O5B | P1A | 177.5° | 180.0° |
| C4B | C5B | H23 | H24 | 120.5° | 120.0° |
| C5B | C4B | C3B | H26 | 18.4° | 24.1° |
| C4B | C3B | C2B | C1B | 30.8° | 0.0° |
| C3B | C4B | C5B | O5B | 45.1° | 175.0° |
| C4B | C3B | C2B | H26 | 121.0° | 118.7° |
| C4B | C3B | C2B | O2B | 161.3° | 118.7° |
| C3B | C4B | C5B | H23 | 165.0° | 65.0° |
| C3B | C4B | C5B | H24 | 74.7° | 55.1° |
| C4B | C3B | C2B | H29 | 81.8° | 118.8° |
| N9A | C1B | C2B | H31 | 128.4° | 122.2° |
| C1B | N9A | C4A | C8A | 173.2° | 179.7° |
| C1B | N9A | C4A | C5A | 175.9° | 180.0° |
| N9A | C1B | C2B | C3B | 145.0° | 142.8° |
| N9A | C1B | C2B | O2B | 83.0° | 98.5° |
| C1B | N9A | C8A | N7A | 176.6° | 180.0° |
| N9A | C1B | C2B | H29 | 32.8° | 24.2° |
| C1B | N9A | C8A | H33 | 3.3° | 0.0° |
| C2B | C1B | N9A | C4A | 130.7° | 88.4° |
| C2B | C1B | N9A | C8A | 57.2° | 91.9° |
| C1B | C2B | C3B | O2B | 130.5° | 118.7° |
| C1B | C2B | C3B | H29 | 112.6° | 118.8° |
| C1B | C2B | O2B | H29 | 115.5° | 122.8° |
| C1B | C2B | C3B | H26 | 151.8° | 118.6° |
| C1B | C2B | O2B | H30 | 180.0° | 65.3° |
| N9A | C4A | C5A | C6A | 178.9° | 180.0° |
| N9A | C4A | C5A | N7A | 1.4° | 0.1° |
| C4A | N9A | C8A | N7A | 3.2° | 0.2° |
| C4A | N9A | C1B | H31 | 2.5° | 34.0° |
| C4A | N9A | C8A | H33 | 176.8° | 179.8° |
| C5A | C4A | N9A | C8A | 2.7° | 0.2° |
| C4A | C5A | C6A | N7A | 179.6° | 179.8° |
| C4A | C5A | C6A | N6A | 177.9° | 180.0° |
| C4A | C5A | N7A | C8A | 0.4° | 0.0° |
| CDP | CBP | CEP | CCP | 117.3° | 120.0° |
| CDP | CBP | CEP | CAP | 121.4° | 120.0° |
| CDP | CBP | CCP | CAP | 118.5° | 120.0° |
| CDP | CBP | CCP | O6A | 178.8° | 60.0° |
| CDP | CBP | CAP | C9P | 57.5° | 66.4° |
| CDP | CBP | CAP | OAP | 69.8° | 173.6° |
| CDP | CBP | CAP | H11 | 174.0° | 53.6° |
| CBP | CDP | H13 | H14 | 120.0° | 120.0° |
| CBP | CDP | H13 | H15 | 120.0° | 120.1° |
| CBP | CDP | H14 | H15 | 120.0° | 120.1° |
| CDP | CBP | CEP | H16 | 180.0° | 180.0° |
| CDP | CBP | CEP | H17 | 60.0° | 60.0° |
| CDP | CBP | CEP | H18 | 60.0° | 60.0° |
| CDP | CBP | CCP | H19 | 58.0° | 180.0° |
| CDP | CBP | CCP | H20 | 60.4° | 60.0° |
| C5B | O5B | P1A | O3A | 65.4° | 175.0° |
| C5B | O5B | P1A | O2A | 51.2° | 55.0° |
| C5B | O5B | P1A | O1A | 177.5° | 65.0° |
| O5B | C5B | H23 | H24 | 120.5° | 120.0° |
| O5B | C5B | C4B | H25 | 168.9° | 52.7° |
| O4A | P2A | O6A | CCP | 48.7° | 55.0° |
| O4A | P2A | O3A | O6A | 110.1° | 120.0° |
| O4A | P2A | O3A | O5A | 137.4° | 120.0° |
| O4A | P2A | O6A | O5A | 141.3° | 120.0° |
| O4A | P2A | O3A | P1A | 121.5° | 40.0° |
| O4A | P2A | O5A | H21 | 0.0° | 180.0° |
| N9A | C8A | N7A | C5A | 2.3° | 0.1° |
| N9A | C8A | N7A | H33 | 180.0° | 180.0° |
| C8A | N9A | C1B | H31 | 174.6° | 145.7° |
| C3B | C2B | O2B | H29 | 116.2° | 122.6° |
| C2B | C3B | C4B | H25 | 133.6° | 94.9° |
| C3B | C2B | O2B | H30 | 51.7° | 180.0° |
| C3B | C2B | C1B | H31 | 86.7° | 94.9° |
| C6A | C5A | N7A | C8A | 179.3° | 179.9° |
| C5A | C6A | N6A | H34 | 177.8° | 0.0° |
| C5A | C6A | N6A | H35 | 57.8° | 180.0° |
| N6A | C6A | C5A | N7A | 1.7° | 0.2° |
| C6A | N6A | H34 | H35 | 120.0° | 180.0° |
| C5A | N7A | C8A | H33 | 177.7° | 179.8° |
| O2B | C2B | C3B | H26 | 77.6° | 122.7° |
| O2B | C2B | C1B | H31 | 45.4° | 23.7° |
| CEP | CBP | CCP | CAP | 122.5° | 120.0° |
| CEP | CBP | CCP | O6A | 59.8° | 60.0° |
| CEP | CBP | CAP | C9P | 62.3° | 53.6° |
| CEP | CBP | CAP | OAP | 170.5° | 66.4° |
| CEP | CBP | CAP | H11 | 54.3° | 173.6° |
| CEP | CBP | CDP | H13 | 180.0° | 55.7° |
| CEP | CBP | CDP | H14 | 60.0° | 64.3° |
| CEP | CBP | CDP | H15 | 60.0° | 175.7° |
| CBP | CEP | H16 | H17 | 120.0° | 120.0° |
| CBP | CEP | H16 | H18 | 120.0° | 120.0° |
| CBP | CEP | H17 | H18 | 120.0° | 120.0° |
| CEP | CBP | CCP | H19 | 60.9° | 60.0° |
| CEP | CBP | CCP | H20 | 179.4° | 180.0° |
| CBP | CCP | O6A | H19 | 120.8° | 120.0° |
| CBP | CCP | O6A | H20 | 120.8° | 120.1° |
| CBP | CCP | O6A | P2A | 173.9° | 180.0° |
| CCP | CBP | CAP | C9P | 172.2° | 173.6° |
| CCP | CBP | CAP | OAP | 45.0° | 53.6° |
| CCP | CBP | CAP | H11 | 71.2° | 66.4° |
| CCP | CBP | CDP | H13 | 56.9° | 175.7° |
| CCP | CBP | CDP | H14 | 63.2° | 55.7° |
| CCP | CBP | CDP | H15 | 176.9° | 64.3° |
| CCP | CBP | CEP | H16 | 62.8° | 60.0° |
| CCP | CBP | CEP | H17 | 177.3° | 60.0° |
| CCP | CBP | CEP | H18 | 57.3° | 180.0° |
| CBP | CCP | H19 | H20 | 117.6° | 120.0° |
| O6A | CCP | CBP | CAP | 62.6° | 180.0° |
| CCP | O6A | P2A | O3A | 53.1° | 175.0° |
| CCP | O6A | P2A | O5A | 170.0° | 65.0° |
| O6A | CCP | H19 | H20 | 117.6° | 120.0° |
| CBP | CAP | C9P | O9P | 77.5° | 69.7° |
| CBP | CAP | C9P | OAP | 129.2° | 120.0° |
| CBP | CAP | C9P | H11 | 116.1° | 120.0° |
| CBP | CAP | OAP | H11 | 115.4° | 120.0° |
| CBP | CAP | C9P | N8P | 102.8° | 110.4° |
| CBP | CAP | OAP | H12 | 110.1° | 60.0° |
| CAP | CBP | CDP | H13 | 59.4° | 64.4° |
| CAP | CBP | CDP | H14 | 179.4° | 175.7° |
| CAP | CBP | CDP | H15 | 60.6° | 55.7° |
| CAP | CBP | CEP | H16 | 58.6° | 60.0° |
| CAP | CBP | CEP | H17 | 61.4° | 180.0° |
| CAP | CBP | CEP | H18 | 178.7° | 60.0° |
| CAP | CBP | CCP | H19 | 176.6° | 60.0° |
| CAP | CBP | CCP | H20 | 58.2° | 60.0° |
| O5B | P1A | O3A | P2A | 167.3° | 165.0° |
| O5B | P1A | O3A | O2A | 115.7° | 120.0° |
| O5B | P1A | O3A | O1A | 113.4° | 120.0° |
| O5B | P1A | O2A | O1A | 127.3° | 119.9° |
| O5B | P1A | O1A | H22 | 127.7° | 60.0° |
| P1A | O5B | C5B | H23 | 57.7° | 60.0° |
| P1A | O5B | C5B | H24 | 62.7° | 60.0° |
| O3A | P2A | O6A | O5A | 116.9° | 120.0° |
| P2A | O3A | P1A | O2A | 51.6° | 45.0° |
| P2A | O3A | P1A | O1A | 79.2° | 75.0° |
| O3A | P2A | O5A | H21 | 121.1° | 60.0° |
| O6A | P2A | O3A | P1A | 128.5° | 160.0° |
| P2A | O6A | CCP | H19 | 53.2° | 60.0° |
| P2A | O6A | CCP | H20 | 65.3° | 60.0° |
| O6A | P2A | O5A | H21 | 130.7° | 60.0° |
| O5A | P2A | O3A | P1A | 15.9° | 80.0° |
| O3A | P1A | O2A | O1A | 125.9° | 120.1° |
| O3A | P1A | O1A | H22 | 127.8° | 60.0° |
| O2A | P1A | O1A | H22 | 0.0° | 180.0° |
| O9P | C9P | CAP | N8P | 179.8° | 179.9° |
| O9P | C9P | CAP | OAP | 51.7° | 170.3° |
| O9P | C9P | N8P | C7P | 6.1° | 4.6° |
| O9P | C9P | N8P | H10 | 173.9° | 175.4° |
| O9P | C9P | CAP | H11 | 166.5° | 50.3° |
| C9P | CAP | OAP | H11 | 114.4° | 120.0° |
| CAP | C9P | N8P | C7P | 173.7° | 175.5° |
| CAP | C9P | N8P | H10 | 6.3° | 4.5° |
| C9P | CAP | OAP | H12 | 20.1° | 60.0° |
| OAP | CAP | C9P | N8P | 128.0° | 9.6° |
| C9P | N8P | C7P | H10 | 180.0° | 179.9° |
| C9P | N8P | C7P | C6P | 153.8° | 180.0° |
| C9P | N8P | C7P | H8 | 33.5° | 60.0° |
| C9P | N8P | C7P | H9 | 85.9° | 59.9° |
| N8P | C9P | CAP | H11 | 13.3° | 129.6° |
| N8P | C7P | C6P | H8 | 120.3° | 120.0° |
| N8P | C7P | C6P | H9 | 120.3° | 120.1° |
| N8P | C7P | C6P | C5P | 178.9° | 180.0° |
| N8P | C7P | C6P | H6 | 60.1° | 60.0° |
| N8P | C7P | C6P | H7 | 57.9° | 60.0° |
| N8P | C7P | H8 | H9 | 119.2° | 120.1° |
| C7P | C6P | C5P | H6 | 121.0° | 120.0° |
| C7P | C6P | C5P | H7 | 121.0° | 120.0° |
| C7P | C6P | C5P | O5P | 22.2° | 0.0° |
| C7P | C6P | C5P | N4P | 161.0° | 179.7° |
| C7P | C6P | H6 | H7 | 116.8° | 120.0° |
| C6P | C7P | H8 | H9 | 119.1° | 119.9° |
| C6P | C7P | N8P | H10 | 26.2° | 0.0° |
| C6P | C5P | O5P | N4P | 176.6° | 179.7° |
| C6P | C5P | N4P | C3P | 178.7° | 179.7° |
| C6P | C5P | N4P | H1 | 1.4° | 0.3° |
| C5P | C6P | H6 | H7 | 116.8° | 120.0° |
| C5P | C6P | C7P | H8 | 58.6° | 59.9° |
| C5P | C6P | C7P | H9 | 60.8° | 60.0° |
| O5P | C5P | N4P | C3P | 4.6° | 0.0° |
| O5P | C5P | N4P | H1 | 175.4° | 180.0° |
| O5P | C5P | C6P | H6 | 143.2° | 120.0° |
| O5P | C5P | C6P | H7 | 98.8° | 120.0° |
| C5P | N4P | C3P | H1 | 180.0° | 180.0° |
| C5P | N4P | C3P | C2P | 178.1° | 180.0° |
| C5P | N4P | C3P | H2 | 61.4° | 60.0° |
| C5P | N4P | C3P | H3 | 57.7° | 59.9° |
| N4P | C5P | C6P | H6 | 40.0° | 60.3° |
| N4P | C5P | C6P | H7 | 78.0° | 59.7° |
| N4P | C3P | C2P | H2 | 120.5° | 120.0° |
| N4P | C3P | C2P | H3 | 120.5° | 120.0° |
| N4P | C3P | C2P | S1P | 179.4° | 180.0° |
| N4P | C3P | H2 | H3 | 118.4° | 119.9° |
| N4P | C3P | C2P | H4 | 60.1° | 60.0° |
| N4P | C3P | C2P | H5 | 58.8° | 60.0° |
| C3P | C2P | S1P | H4 | 120.6° | 120.0° |
| C3P | C2P | S1P | H5 | 120.6° | 120.0° |
| C3P | C2P | S1P | C01 | 123.9° | 180.0° |
| C2P | C3P | N4P | H1 | 1.9° | 0.0° |
| C2P | C3P | H2 | H3 | 118.5° | 120.0° |
| C3P | C2P | H4 | H5 | 118.3° | 120.0° |
| C2P | S1P | C01 | N4A | 97.7° | 160.0° |
| C2P | S1P | C01 | C02 | 142.6° | 80.0° |
| S1P | C2P | C3P | H2 | 58.9° | 60.0° |
| S1P | C2P | C3P | H3 | 60.2° | 60.0° |
| S1P | C2P | H4 | H5 | 118.2° | 120.0° |
| C2P | S1P | C01 | H62 | 26.1° | 40.0° |
| S1P | C01 | N4A | C4G | 60.6° | 103.5° |
| S1P | C01 | N4A | C02 | 117.0° | 120.0° |
| S1P | C01 | N4A | H62 | 121.0° | 120.0° |
| S1P | C01 | C02 | H62 | 113.9° | 120.0° |
| C01 | S1P | C2P | H4 | 115.5° | 60.0° |
| C01 | S1P | C2P | H5 | 3.3° | 60.0° |
| S1P | C01 | N4A | H60 | 60.4° | 20.5° |
| S1P | C01 | C02 | H63 | 180.0° | 180.0° |
| S1P | C01 | C02 | H64 | 60.0° | 60.0° |
| S1P | C01 | C02 | H65 | 60.0° | 60.0° |
| C6G | C5G | O5G | C4G | 123.6° | 119.9° |
| C6G | C5G | O5G | H51 | 115.1° | 120.0° |
| C6G | C5G | O5G | C1G | 179.7° | 178.9° |
| C6G | C5G | C4G | H51 | 121.1° | 120.0° |
| C6G | C5G | C4G | N4A | 71.3° | 62.6° |
| C6G | C5G | C4G | C3G | 169.1° | 177.6° |
| C5G | C6G | H52 | H53 | 120.0° | 120.0° |
| C5G | C6G | H52 | H54 | 120.0° | 120.0° |
| C5G | C6G | H53 | H54 | 120.0° | 120.0° |
| C6G | C5G | C4G | H59 | 49.6° | 57.6° |
| O2G | C2G | C1G | O5G | 61.6° | 62.2° |
| O2G | C2G | C3G | C4G | 64.1° | 62.9° |
| O2G | C2G | C1G | C3G | 118.8° | 119.8° |
| O2G | C2G | C1G | H55 | 121.1° | 120.2° |
| O2G | C2G | C1G | O1G | 173.9° | 177.7° |
| O2G | C2G | C3G | H55 | 121.9° | 120.1° |
| O2G | C2G | C3G | O3G | 55.3° | 57.1° |
| O2G | C2G | C1G | H50 | 57.1° | 57.7° |
| O2G | C2G | C3G | H57 | 175.6° | 177.2° |
| O5G | C5G | C4G | H51 | 121.9° | 120.0° |
| O5G | C5G | C4G | N4A | 171.7° | 177.5° |
| O5G | C5G | C4G | C3G | 52.1° | 57.7° |
| C5G | O5G | C1G | C2G | 59.9° | 61.2° |
| C5G | O5G | C1G | O1G | 63.9° | 58.8° |
| C5G | O5G | C1G | H50 | 178.0° | 178.9° |
| O5G | C5G | C6G | H52 | 180.0° | 62.8° |
| O5G | C5G | C6G | H53 | 60.0° | 177.2° |
| O5G | C5G | C6G | H54 | 60.0° | 57.2° |
| O5G | C5G | C4G | H59 | 67.5° | 62.3° |
| C1G | O5G | C5G | C4G | 56.8° | 61.2° |
| O5G | C1G | C2G | O1G | 124.4° | 120.0° |
| O5G | C1G | C2G | H50 | 118.8° | 119.9° |
| O5G | C1G | O1G | H50 | 118.3° | 120.0° |
| O5G | C1G | C2G | C3G | 57.1° | 57.6° |
| O5G | C1G | O1G | P2 | 101.2° | 90.1° |
| C1G | O5G | C5G | H51 | 64.6° | 58.8° |
| O5G | C1G | C2G | H55 | 177.3° | 177.5° |
| O6 | C6 | C5 | N7 | 1.1° | 0.0° |
| O6 | C6 | C5 | N1 | 178.9° | 179.7° |
| O6 | C6 | C5 | C4 | 178.2° | 180.0° |
| O6 | C6 | N1 | C2 | 176.6° | 179.9° |
| O6 | C6 | N1 | H37 | 3.4° | 0.0° |
| C5G | C4G | N4A | C3G | 120.4° | 119.6° |
| C5G | C4G | N4A | H59 | 120.6° | 120.2° |
| C5G | C4G | C3G | H59 | 119.6° | 120.0° |
| C5G | C4G | N4A | C01 | 139.7° | 150.3° |
| C5G | C4G | C3G | C2G | 51.0° | 57.0° |
| C5G | C4G | C3G | O3G | 170.5° | 176.9° |
| C4G | C5G | C6G | H52 | 57.4° | 177.3° |
| C4G | C5G | C6G | H53 | 62.6° | 57.3° |
| C4G | C5G | C6G | H54 | 177.4° | 62.7° |
| C5G | C4G | C3G | H57 | 69.0° | 62.8° |
| C5G | C4G | N4A | H60 | 18.7° | 26.3° |
| N4A | C4G | C3G | H59 | 119.4° | 120.2° |
| C4G | N4A | C01 | H60 | 121.0° | 124.0° |
| C4G | N4A | C01 | C02 | 177.6° | 136.5° |
| N4A | C4G | C3G | C2G | 172.0° | 176.9° |
| N4A | C4G | C3G | O3G | 68.5° | 63.2° |
| N4A | C4G | C5G | H51 | 49.8° | 57.4° |
| N4A | C4G | C3G | H57 | 51.9° | 57.0° |
| C4G | N4A | C01 | H62 | 60.4° | 16.5° |
| C3G | C4G | N4A | C01 | 100.0° | 90.1° |
| C4G | C3G | C2G | C1G | 53.3° | 57.0° |
| C4G | C3G | C2G | O3G | 119.4° | 120.0° |
| C4G | C3G | C2G | H57 | 120.3° | 119.9° |
| C4G | C3G | O3G | H57 | 119.8° | 120.3° |
| C3G | C4G | C5G | H51 | 69.8° | 62.4° |
| C4G | C3G | C2G | H55 | 174.0° | 176.9° |
| C4G | C3G | O3G | H58 | 180.0° | 179.6° |
| C3G | C4G | N4A | H60 | 139.0° | 145.9° |
| N4A | C01 | C02 | H62 | 122.6° | 120.0° |
| C01 | N4A | C4G | H59 | 19.1° | 30.0° |
| N4A | C01 | C02 | H63 | 56.5° | 60.0° |
| N4A | C01 | C02 | H64 | 176.5° | 180.0° |
| N4A | C01 | C02 | H65 | 63.6° | 60.0° |
| C02 | C01 | N4A | H60 | 56.6° | 99.5° |
| C01 | C02 | H63 | H64 | 120.0° | 120.0° |
| C01 | C02 | H63 | H65 | 120.0° | 120.0° |
| C01 | C02 | H64 | H65 | 120.0° | 120.0° |
| C2G | C1G | O1G | H50 | 116.3° | 120.0° |
| C1G | C2G | C3G | H55 | 120.8° | 120.0° |
| C1G | C2G | C3G | O3G | 172.6° | 176.9° |
| C2G | C1G | O1G | P2 | 133.3° | 149.9° |
| C1G | C2G | O2G | H56 | 180.0° | 60.0° |
| C1G | C2G | C3G | H57 | 67.1° | 62.9° |
| O1G | C1G | C2G | C3G | 67.3° | 62.4° |
| C1G | O1G | P2 | O3P | 37.9° | 55.0° |
| C1G | O1G | P2 | OPP | 74.7° | 175.0° |
| C1G | O1G | P2 | O4P | 171.0° | 65.0° |
| O1G | C1G | C2G | H55 | 52.9° | 57.5° |
| C2G | C3G | O3G | H57 | 119.4° | 120.1° |
| C3G | C2G | C1G | H50 | 175.9° | 177.6° |
| C3G | C2G | O2G | H56 | 61.9° | 179.7° |
| C2G | C3G | O3G | H58 | 59.2° | 60.0° |
| C2G | C3G | C4G | H59 | 68.6° | 63.0° |
| N7 | C5 | C6 | C4 | 177.1° | 180.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.7° |
| C5 | N7 | C8 | N9 | 2.7° | 0.1° |
| N7 | C5 | C4 | N9 | 1.5° | 0.0° |
| N7 | C5 | C4 | N3 | 178.5° | 180.0° |
| C5 | N7 | C8 | H36 | 177.3° | 180.0° |
| C8 | N7 | C5 | C6 | 179.8° | 179.9° |
| C8 | N7 | C5 | C4 | 2.5° | 0.1° |
| N7 | C8 | N9 | H36 | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 1.8° | 0.1° |
| N7 | C8 | N9 | C1' | 177.3° | 180.0° |
| O3G | C3G | C2G | H55 | 66.6° | 63.1° |
| O3G | C3G | C4G | H59 | 50.9° | 57.0° |
| O3P | P2 | O1G | OPP | 112.6° | 120.0° |
| O3P | P2 | O1G | O4P | 133.0° | 120.0° |
| O3P | P2 | OPP | O4P | 130.8° | 120.0° |
| O3P | P2 | OPP | P | 131.3° | 40.0° |
| O3P | P2 | O4P | H49 | 0.0° | 180.0° |
| C5 | C6 | N1 | C2 | 4.4° | 0.2° |
| C6 | C5 | C4 | N9 | 179.3° | 180.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.0° |
| C5 | C6 | N1 | H37 | 175.6° | 179.7° |
| N1 | C6 | C5 | C4 | 2.9° | 0.3° |
| C6 | N1 | C2 | H37 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 3.6° | 0.1° |
| C6 | N1 | C2 | N2 | 178.2° | 180.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | N3 | 180.0° | 179.9° |
| C5 | C4 | N9 | C1' | 179.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.3° | 0.3° |
| C8 | N9 | C4 | C1' | 179.1° | 179.9° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | C1' | O4' | 71.0° | 19.1° |
| C8 | N9 | C1' | C2' | 44.4° | 94.9° |
| C8 | N9 | C1' | H40 | 169.6° | 142.2° |
| O1G | P2 | OPP | O4P | 112.2° | 119.9° |
| O1G | P2 | OPP | P | 111.7° | 160.0° |
| O1G | P2 | O4P | H49 | 128.6° | 60.0° |
| P2 | O1G | C1G | H50 | 17.1° | 29.9° |
| N1 | C2 | N3 | C4 | 1.1° | 0.4° |
| N1 | C2 | N3 | N2 | 178.0° | 179.9° |
| N1 | C2 | N2 | H38 | 178.2° | 0.1° |
| N1 | C2 | N2 | H39 | 1.8° | 180.0° |
| P2 | OPP | P | O2P | 178.7° | 40.0° |
| P2 | OPP | P | O5' | 62.0° | 160.0° |
| P2 | OPP | P | O1P | 51.8° | 80.0° |
| OPP | P2 | O4P | H49 | 122.9° | 59.9° |
| O4P | P2 | OPP | P | 0.5° | 80.0° |
| OPP | P | O2P | O5' | 111.8° | 120.0° |
| OPP | P | O2P | O1P | 124.8° | 120.0° |
| OPP | P | O5' | C5' | 51.5° | 175.0° |
| OPP | P | O5' | O1P | 117.4° | 120.0° |
| OPP | P | O1P | H48 | 121.7° | 60.1° |
| N9 | C4 | N3 | C2 | 179.7° | 179.7° |
| C4 | N9 | C1' | O4' | 110.0° | 160.9° |
| C4 | N9 | C1' | C2' | 134.5° | 85.0° |
| C4 | N9 | C8 | H36 | 178.2° | 180.0° |
| C4 | N9 | C1' | H40 | 9.4° | 37.9° |
| N3 | C4 | N9 | C1' | 1.0° | 0.1° |
| C4 | N3 | C2 | N2 | 179.2° | 179.8° |
| N9 | C1' | O4' | C2' | 124.7° | 118.5° |
| N9 | C1' | O4' | H40 | 119.3° | 123.0° |
| N9 | C1' | O4' | C4' | 156.2° | 158.5° |
| N9 | C1' | C2' | H40 | 125.7° | 122.9° |
| N9 | C1' | C2' | C3' | 155.9° | 155.5° |
| N9 | C1' | C2' | O2' | 74.1° | 86.2° |
| C1' | N9 | C8 | H36 | 2.7° | 0.1° |
| N9 | C1' | C2' | H41 | 43.6° | 37.3° |
| N3 | C2 | N1 | H37 | 176.4° | 180.0° |
| N3 | C2 | N2 | H38 | 0.0° | 179.9° |
| N3 | C2 | N2 | H39 | 180.0° | 0.1° |
| N2 | C2 | N1 | H37 | 1.8° | 0.2° |
| C2 | N2 | H38 | H39 | 180.0° | 179.9° |
| O2P | P | O5' | C5' | 60.7° | 55.0° |
| O2P | P | O5' | O1P | 130.4° | 120.0° |
| O2P | P | O1P | H48 | 0.0° | 180.0° |
| C1' | O4' | C4' | C5' | 137.0° | 145.9° |
| O4' | C1' | C2' | H40 | 117.0° | 118.6° |
| C1' | O4' | C4' | C3' | 12.4° | 26.5° |
| O4' | C1' | C2' | C3' | 38.6° | 37.0° |
| O4' | C1' | C2' | O2' | 168.6° | 155.2° |
| O4' | C1' | C2' | H41 | 73.7° | 81.2° |
| C1' | O4' | C4' | H45 | 104.7° | 92.9° |
| O4' | C4' | C5' | C3' | 119.9° | 117.9° |
| O4' | C4' | C5' | H45 | 118.5° | 121.1° |
| O4' | C4' | C5' | O5' | 166.6° | 66.5° |
| C4' | O4' | C1' | C2' | 31.6° | 40.0° |
| O4' | C4' | C3' | H45 | 117.8° | 119.5° |
| O4' | C4' | C3' | C2' | 12.4° | 2.0° |
| O4' | C4' | C3' | O3' | 110.7° | 120.7° |
| C4' | O4' | C1' | H40 | 84.5° | 78.5° |
| O4' | C4' | C3' | H43 | 127.5° | 116.7° |
| O4' | C4' | C5' | H46 | 73.7° | 173.6° |
| O4' | C4' | C5' | H47 | 46.9° | 53.6° |
| C4' | C5' | O5' | H46 | 119.6° | 120.0° |
| C4' | C5' | O5' | H47 | 119.6° | 120.0° |
| C4' | C5' | O5' | P | 171.1° | 180.0° |
| C5' | C4' | C3' | H45 | 122.0° | 121.1° |
| C5' | C4' | C3' | C2' | 107.8° | 121.5° |
| C5' | C4' | C3' | O3' | 129.1° | 119.8° |
| C5' | C4' | C3' | H43 | 7.3° | 2.7° |
| C4' | C5' | H46 | H47 | 121.0° | 120.0° |
| C5' | O5' | P | O1P | 168.9° | 65.0° |
| O5' | C5' | C4' | C3' | 73.5° | 175.7° |
| O5' | C5' | C4' | H45 | 48.1° | 54.6° |
| O5' | C5' | H46 | H47 | 121.0° | 120.0° |
| P | O5' | C5' | H46 | 51.4° | 60.0° |
| P | O5' | C5' | H47 | 69.3° | 59.9° |
| O5' | P | O1P | H48 | 125.8° | 60.0° |
| C1' | C2' | C3' | C4' | 30.5° | 20.9° |
| C1' | C2' | C3' | O2' | 124.4° | 118.2° |
| C1' | C2' | C3' | H41 | 112.1° | 118.2° |
| C1' | C2' | O2' | H41 | 116.8° | 123.6° |
| C1' | C2' | C3' | O3' | 92.6° | 97.8° |
| C1' | C2' | O2' | H42 | 180.0° | 180.0° |
| C1' | C2' | C3' | H43 | 145.4° | 139.7° |
| C4' | C3' | C2' | O3' | 123.1° | 118.7° |
| C4' | C3' | C2' | H43 | 114.9° | 118.8° |
| C4' | C3' | C2' | O2' | 154.9° | 139.1° |
| C4' | C3' | O3' | H43 | 121.1° | 122.7° |
| C4' | C3' | C2' | H41 | 81.6° | 97.3° |
| C4' | C3' | O3' | H44 | 180.0° | 176.2° |
| C3' | C4' | C5' | H46 | 46.2° | 55.7° |
| C3' | C4' | C5' | H47 | 166.8° | 64.3° |
| C3' | C2' | O2' | H41 | 122.9° | 123.7° |
| C2' | C3' | O3' | H43 | 121.5° | 122.6° |
| C3' | C2' | C1' | H40 | 78.4° | 81.6° |
| C3' | C2' | O2' | H42 | 59.6° | 67.2° |
| C2' | C3' | O3' | H44 | 62.6° | 61.4° |
| C2' | C3' | C4' | H45 | 130.2° | 117.4° |
| O2' | C2' | C3' | O3' | 31.8° | 20.4° |
| O2' | C2' | C1' | H40 | 51.6° | 36.6° |
| O2' | C2' | C3' | H43 | 90.2° | 102.1° |
| O3' | C3' | C2' | H41 | 155.3° | 144.0° |
| O3' | C3' | C4' | H45 | 7.1° | 1.2° |
| H1 | N4P | C3P | H2 | 118.6° | 120.0° |
| H1 | N4P | C3P | H3 | 122.4° | 120.1° |
| H2 | C3P | C2P | H4 | 179.4° | 180.0° |
| H2 | C3P | C2P | H5 | 61.7° | 60.0° |
| H3 | C3P | C2P | H4 | 60.4° | 60.0° |
| H3 | C3P | C2P | H5 | 179.3° | 179.9° |
| H6 | C6P | C7P | H8 | 179.6° | 180.0° |
| H6 | C6P | C7P | H9 | 60.2° | 60.1° |
| H7 | C6P | C7P | H8 | 62.4° | 60.0° |
| H7 | C6P | C7P | H9 | 178.2° | 179.9° |
| H8 | C7P | N8P | H10 | 146.5° | 120.0° |
| H9 | C7P | N8P | H10 | 94.1° | 120.0° |
| H11 | CAP | OAP | H12 | 134.5° | 180.0° |
| H13 | CDP | H14 | H15 | 120.0° | 120.0° |
| H16 | CEP | H17 | H18 | 120.0° | 120.0° |
| H23 | C5B | C4B | H25 | 71.3° | 172.7° |
| H24 | C5B | C4B | H25 | 49.0° | 67.3° |
| H25 | C4B | C3B | H26 | 105.3° | 146.4° |
| H26 | C3B | C2B | H29 | 39.2° | 0.1° |
| H29 | C2B | O2B | H30 | 64.5° | 57.5° |
| H29 | C2B | C1B | H31 | 161.2° | 146.4° |
| H40 | C1' | C2' | H41 | 169.3° | 160.2° |
| H41 | C2' | O2' | H42 | 63.2° | 56.4° |
| H41 | C2' | C3' | H43 | 33.3° | 21.5° |
| H43 | C3' | O3' | H44 | 58.9° | 61.1° |
| H43 | C3' | C4' | H45 | 114.7° | 123.8° |
| H45 | C4' | C5' | H46 | 167.8° | 65.4° |
| H45 | C4' | C5' | H47 | 71.6° | 174.6° |
| H50 | C1G | C2G | H55 | 64.0° | 62.5° |
| H51 | C5G | C6G | H52 | 63.9° | 57.2° |
| H51 | C5G | C6G | H53 | 176.1° | 62.8° |
| H51 | C5G | C6G | H54 | 56.1° | 177.2° |
| H51 | C5G | C4G | H59 | 170.6° | 177.7° |
| H52 | C6G | H53 | H54 | 120.0° | 120.0° |
| H55 | C2G | O2G | H56 | 59.2° | 60.2° |
| H55 | C2G | C3G | H57 | 53.7° | 57.1° |
| H57 | C3G | O3G | H58 | 60.2° | 60.2° |
| H57 | C3G | C4G | H59 | 171.4° | 177.2° |
| H59 | C4G | N4A | H60 | 101.9° | 93.9° |
| H60 | N4A | C01 | H62 | 178.5° | 140.4° |
| H62 | C01 | C02 | H63 | 66.2° | 60.0° |
| H62 | C01 | C02 | H64 | 53.8° | 60.0° |
| H62 | C01 | C02 | H65 | 173.8° | 179.9° |
| H63 | C02 | H64 | H65 | 120.0° | 120.0° |
