CCQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | S1P | sing | 1.71Å | 1.70Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | N5 | sing | 1.47Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| N5 | C5C | sing | 1.47Å | 1.48Å | |
| N5 | C5B | sing | 1.47Å | 1.47Å | |
| N5 | C5A | sing | 1.47Å | 1.48Å | |
| C5C | H5C1 | sing | 1.09Å | 1.11Å | |
| C5C | H5C2 | sing | 1.09Å | 1.12Å | |
| C5C | H5C3 | sing | 1.09Å | 1.11Å | |
| C5B | H5B1 | sing | 1.09Å | 1.11Å | |
| C5B | H5B2 | sing | 1.09Å | 1.12Å | |
| C5B | H5B3 | sing | 1.09Å | 1.12Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.12Å | |
| C5A | H5A3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| S1P | C2P | sing | 1.81Å | 1.74Å | |
| C2P | C3P | sing | 1.53Å | 1.53Å | |
| C2P | H11 | sing | 1.09Å | 1.11Å | |
| C2P | H12 | sing | 1.09Å | 1.12Å | |
| C3P | N4P | sing | 1.47Å | 1.45Å | |
| C3P | H31 | sing | 1.09Å | 1.12Å | |
| C3P | H32 | sing | 1.09Å | 1.11Å | |
| N4P | C5P | sing | 1.35Å | 1.33Å | |
| N4P | HN4 | sing | 0.97Å | 1.02Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| C5P | C6P | sing | 1.51Å | 1.52Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| C6P | H61 | sing | 1.09Å | 1.11Å | |
| C6P | H62 | sing | 1.09Å | 1.11Å | |
| C7P | N8P | sing | 1.47Å | 1.45Å | |
| C7P | H71 | sing | 1.09Å | 1.11Å | |
| C7P | H72 | sing | 1.09Å | 1.11Å | |
| N8P | C9P | sing | 1.35Å | 1.34Å | |
| N8P | HN8 | sing | 0.97Å | 1.02Å | |
| C9P | O9P | doub | 1.21Å | 1.23Å | |
| C9P | CAP | sing | 1.51Å | 1.50Å | |
| CAP | OAP | sing | 1.43Å | 1.43Å | |
| CAP | CBP | sing | 1.53Å | 1.52Å | |
| CAP | H10 | sing | 1.09Å | 1.11Å | |
| OAP | H1 | sing | 0.97Å | 0.95Å | |
| CBP | CDP | sing | 1.53Å | 1.52Å | |
| CBP | CEP | sing | 1.53Å | 1.52Å | |
| CBP | CCP | sing | 1.53Å | 1.54Å | |
| CDP | H131 | sing | 1.09Å | 1.12Å | |
| CDP | H132 | sing | 1.09Å | 1.11Å | |
| CDP | H133 | sing | 1.09Å | 1.12Å | |
| CEP | H141 | sing | 1.09Å | 1.11Å | |
| CEP | H142 | sing | 1.09Å | 1.11Å | |
| CEP | H143 | sing | 1.09Å | 1.12Å | |
| CCP | O6A | sing | 1.43Å | 1.45Å | |
| CCP | H121 | sing | 1.09Å | 1.11Å | |
| CCP | H122 | sing | 1.09Å | 1.11Å | |
| O6A | P2A | sing | 1.61Å | 1.64Å | |
| P2A | O4A | sing | 1.55Å | 1.51Å | |
| P2A | O5A | doub | 1.55Å | 1.51Å | |
| P2A | O3A | sing | 1.61Å | 1.62Å | |
| O3A | P1A | sing | 1.61Å | 1.63Å | |
| P1A | O1A | doub | 1.48Å | 1.52Å | |
| P1A | O2A | sing | 1.61Å | 1.51Å | |
| P1A | O5D | sing | 1.61Å | 1.62Å | |
| O2A | HO2 | sing | 0.97Å | 0.95Å | |
| O5D | C5D | sing | 1.43Å | 1.43Å | |
| C5D | C4D | sing | 1.53Å | 1.53Å | |
| C5D | H5'1 | sing | 1.09Å | 1.11Å | |
| C5D | H5'2 | sing | 1.09Å | 1.12Å | |
| C4D | C3D | sing | 1.54Å | 1.52Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | H4' | sing | 1.09Å | 1.12Å | |
| C3D | O3D | sing | 1.43Å | 1.42Å | |
| C3D | C2D | sing | 1.55Å | 1.52Å | |
| C3D | H3' | sing | 1.09Å | 1.12Å | |
| O3D | P3D | sing | 1.61Å | 1.61Å | |
| P3D | O7A | doub | 1.48Å | 1.52Å | |
| P3D | O8A | sing | 1.61Å | 1.51Å | |
| P3D | O9A | sing | 1.61Å | 1.52Å | |
| O8A | HO8 | sing | 0.97Å | 0.95Å | |
| O9A | HO9 | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.44Å | |
| C2D | C1D | sing | 1.55Å | 1.53Å | |
| C2D | H2' | sing | 1.09Å | 1.11Å | |
| O2D | H4 | sing | 0.97Å | 0.95Å | |
| C1D | O4D | sing | 1.44Å | 1.43Å | |
| C1D | N9A | sing | 1.46Å | 1.49Å | |
| C1D | H1' | sing | 1.09Å | 1.12Å | |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
| C4A | C5X | doub | 1.41Å | 1.48Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.36Å | Aromatic |
| C5X | N7A | sing | 1.35Å | 1.35Å | Aromatic |
| C5X | C6A | sing | 1.41Å | 1.50Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.36Å | Aromatic |
| C8A | H8 | sing | 1.08Å | 1.10Å | |
| C6A | N6A | sing | 1.38Å | 1.37Å | |
| C6A | N1A | doub | 1.33Å | 1.36Å | Aromatic |
| N6A | HN61 | sing | 0.97Å | 1.02Å | |
| N6A | HN62 | sing | 0.97Å | 1.02Å | |
| N1A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.35Å | Aromatic |
| C2A | H2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.1° | 120.1° |
| O1 | C1 | S1P | 118.5° | 119.9° |
| C2 | C1 | S1P | 123.4° | 120.0° |
| C1 | C2 | C3 | 114.0° | 109.5° |
| C1 | C2 | H21 | 110.6° | 109.5° |
| C1 | C2 | H22 | 110.6° | 109.5° |
| C1 | S1P | C2P | 109.2° | 100.0° |
| C3 | C2 | H21 | 110.5° | 109.4° |
| C3 | C2 | H22 | 110.6° | 109.5° |
| C2 | C3 | C4 | 113.4° | 109.5° |
| C2 | C3 | O3 | 111.0° | 109.5° |
| C2 | C3 | H3 | 105.6° | 109.4° |
| H21 | C2 | H22 | 99.7° | 109.5° |
| C4 | C3 | O3 | 109.3° | 109.5° |
| C4 | C3 | H3 | 107.4° | 109.5° |
| C3 | C4 | N5 | 116.7° | 109.5° |
| C3 | C4 | H41 | 109.6° | 109.5° |
| C3 | C4 | H42 | 109.6° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.4° |
| C3 | O3 | HO3 | 111.0° | 106.7° |
| N5 | C4 | H41 | 109.6° | 109.5° |
| N5 | C4 | H42 | 109.6° | 109.5° |
| C4 | N5 | C5C | 111.3° | 109.5° |
| C4 | N5 | C5B | 109.9° | 109.5° |
| C4 | N5 | C5A | 112.5° | 109.5° |
| H41 | C4 | H42 | 100.6° | 109.5° |
| C5C | N5 | C5B | 107.5° | 109.5° |
| C5C | N5 | C5A | 109.7° | 109.5° |
| N5 | C5C | H5C1 | 111.5° | 109.5° |
| N5 | C5C | H5C2 | 111.3° | 109.5° |
| N5 | C5C | H5C3 | 111.5° | 109.5° |
| C5B | N5 | C5A | 105.7° | 109.5° |
| N5 | C5B | H5B1 | 112.0° | 109.5° |
| N5 | C5B | H5B2 | 109.9° | 109.5° |
| N5 | C5B | H5B3 | 112.0° | 109.4° |
| N5 | C5A | H5A1 | 111.1° | 109.5° |
| N5 | C5A | H5A2 | 112.5° | 109.5° |
| N5 | C5A | H5A3 | 111.1° | 109.5° |
| H5C1 | C5C | H5C2 | 111.5° | 109.4° |
| H5C1 | C5C | H5C3 | 98.8° | 109.5° |
| H5C2 | C5C | H5C3 | 111.5° | 109.5° |
| H5B1 | C5B | H5B2 | 112.0° | 109.5° |
| H5B1 | C5B | H5B3 | 98.4° | 109.5° |
| H5B2 | C5B | H5B3 | 112.0° | 109.5° |
| H5A1 | C5A | H5A2 | 111.1° | 109.5° |
| H5A1 | C5A | H5A3 | 99.2° | 109.4° |
| H5A2 | C5A | H5A3 | 111.1° | 109.5° |
| S1P | C2P | C3P | 103.9° | 109.5° |
| S1P | C2P | H11 | 114.3° | 109.5° |
| S1P | C2P | H12 | 114.3° | 109.5° |
| C3P | C2P | H11 | 114.3° | 109.5° |
| C3P | C2P | H12 | 114.3° | 109.5° |
| C2P | C3P | N4P | 111.6° | 109.5° |
| C2P | C3P | H31 | 111.4° | 109.5° |
| C2P | C3P | H32 | 111.4° | 109.5° |
| H11 | C2P | H12 | 96.2° | 109.4° |
| N4P | C3P | H31 | 111.4° | 109.4° |
| N4P | C3P | H32 | 111.4° | 109.5° |
| C3P | N4P | C5P | 122.3° | 120.0° |
| C3P | N4P | HN4 | 123.2° | 120.0° |
| H31 | C3P | H32 | 99.0° | 109.5° |
| C5P | N4P | HN4 | 114.5° | 119.9° |
| N4P | C5P | O5P | 122.5° | 120.0° |
| N4P | C5P | C6P | 116.2° | 120.0° |
| O5P | C5P | C6P | 121.3° | 120.1° |
| C5P | C6P | C7P | 112.6° | 109.5° |
| C5P | C6P | H61 | 111.0° | 109.5° |
| C5P | C6P | H62 | 111.1° | 109.5° |
| C7P | C6P | H61 | 111.1° | 109.4° |
| C7P | C6P | H62 | 111.0° | 109.4° |
| C6P | C7P | N8P | 114.4° | 109.5° |
| C6P | C7P | H71 | 110.4° | 109.4° |
| C6P | C7P | H72 | 110.4° | 109.5° |
| H61 | C6P | H62 | 99.3° | 109.5° |
| N8P | C7P | H71 | 110.4° | 109.5° |
| N8P | C7P | H72 | 110.4° | 109.5° |
| C7P | N8P | C9P | 124.0° | 120.0° |
| C7P | N8P | HN8 | 122.4° | 120.0° |
| H71 | C7P | H72 | 99.9° | 109.5° |
| C9P | N8P | HN8 | 113.7° | 120.0° |
| N8P | C9P | O9P | 124.2° | 120.0° |
| N8P | C9P | CAP | 115.5° | 120.0° |
| O9P | C9P | CAP | 120.4° | 120.0° |
| C9P | CAP | OAP | 109.6° | 109.5° |
| C9P | CAP | CBP | 115.4° | 109.5° |
| C9P | CAP | H10 | 104.2° | 109.5° |
| OAP | CAP | CBP | 105.9° | 109.5° |
| OAP | CAP | H10 | 114.0° | 109.5° |
| CAP | OAP | H1 | 109.6° | 106.8° |
| CBP | CAP | H10 | 108.0° | 109.5° |
| CAP | CBP | CDP | 105.4° | 109.4° |
| CAP | CBP | CEP | 114.8° | 109.4° |
| CAP | CBP | CCP | 108.8° | 109.5° |
| CDP | CBP | CEP | 106.3° | 109.5° |
| CDP | CBP | CCP | 109.4° | 109.5° |
| CBP | CDP | H131 | 113.8° | 109.5° |
| CBP | CDP | H132 | 105.4° | 109.5° |
| CBP | CDP | H133 | 113.7° | 109.4° |
| CEP | CBP | CCP | 111.9° | 109.5° |
| CBP | CEP | H141 | 110.3° | 109.4° |
| CBP | CEP | H142 | 114.8° | 109.5° |
| CBP | CEP | H143 | 110.3° | 109.5° |
| CBP | CCP | O6A | 111.9° | 109.4° |
| CBP | CCP | H121 | 111.3° | 109.5° |
| CBP | CCP | H122 | 111.3° | 109.5° |
| H131 | CDP | H132 | 113.7° | 109.5° |
| H131 | CDP | H133 | 96.7° | 109.5° |
| H132 | CDP | H133 | 113.7° | 109.5° |
| H141 | CEP | H142 | 110.2° | 109.5° |
| H141 | CEP | H143 | 100.0° | 109.5° |
| H142 | CEP | H143 | 110.3° | 109.5° |
| O6A | CCP | H121 | 111.3° | 109.5° |
| O6A | CCP | H122 | 111.3° | 109.5° |
| CCP | O6A | P2A | 130.3° | 106.8° |
| H121 | CCP | H122 | 99.1° | 109.5° |
| O6A | P2A | O4A | 103.7° | 109.5° |
| O6A | P2A | O5A | 111.8° | 109.5° |
| O6A | P2A | O3A | 107.3° | 109.5° |
| O4A | P2A | O5A | 117.3° | 109.5° |
| O4A | P2A | O3A | 108.1° | 109.5° |
| O5A | P2A | O3A | 108.2° | 109.5° |
| P2A | O3A | P1A | 127.0° | 106.8° |
| O3A | P1A | O1A | 106.8° | 109.4° |
| O3A | P1A | O2A | 110.5° | 109.5° |
| O3A | P1A | O5D | 107.0° | 109.5° |
| O1A | P1A | O2A | 119.1° | 109.5° |
| O1A | P1A | O5D | 107.2° | 109.4° |
| O2A | P1A | O5D | 105.7° | 109.5° |
| P1A | O2A | HO2 | 110.5° | 106.8° |
| P1A | O5D | C5D | 124.7° | 106.8° |
| O5D | C5D | C4D | 108.9° | 109.5° |
| O5D | C5D | H5'1 | 112.4° | 109.5° |
| O5D | C5D | H5'2 | 112.4° | 109.5° |
| C4D | C5D | H5'1 | 112.4° | 109.5° |
| C4D | C5D | H5'2 | 112.4° | 109.5° |
| C5D | C4D | C3D | 111.9° | 109.9° |
| C5D | C4D | O4D | 110.3° | 109.9° |
| C5D | C4D | H4' | 106.5° | 109.9° |
| H5'1 | C5D | H5'2 | 98.0° | 109.4° |
| C3D | C4D | O4D | 107.1° | 107.4° |
| C3D | C4D | H4' | 109.7° | 109.9° |
| C4D | C3D | O3D | 108.3° | 110.8° |
| C4D | C3D | C2D | 104.4° | 104.0° |
| C4D | C3D | H3' | 112.8° | 110.5° |
| O4D | C4D | H4' | 111.4° | 109.9° |
| C4D | O4D | C1D | 110.5° | 107.0° |
| O3D | C3D | C2D | 107.7° | 110.5° |
| O3D | C3D | H3' | 109.8° | 110.5° |
| C3D | O3D | P3D | 125.7° | 106.8° |
| C2D | C3D | H3' | 113.5° | 110.4° |
| C3D | C2D | O2D | 112.4° | 110.9° |
| C3D | C2D | C1D | 103.6° | 102.1° |
| C3D | C2D | H2' | 112.6° | 111.0° |
| O3D | P3D | O7A | 101.9° | 109.5° |
| O3D | P3D | O8A | 105.6° | 109.5° |
| O3D | P3D | O9A | 105.1° | 109.5° |
| O7A | P3D | O8A | 113.3° | 109.5° |
| O7A | P3D | O9A | 115.4° | 109.4° |
| O8A | P3D | O9A | 114.0° | 109.5° |
| P3D | O8A | HO8 | 105.6° | 106.8° |
| P3D | O9A | HO9 | 105.1° | 106.8° |
| O2D | C2D | C1D | 112.8° | 110.9° |
| O2D | C2D | H2' | 103.4° | 110.8° |
| C2D | O2D | H4 | 112.4° | 106.8° |
| C1D | C2D | H2' | 112.3° | 110.9° |
| C2D | C1D | O4D | 104.7° | 103.5° |
| C2D | C1D | N9A | 112.8° | 110.8° |
| C2D | C1D | H1' | 112.2° | 110.6° |
| O4D | C1D | N9A | 114.1° | 110.6° |
| O4D | C1D | H1' | 110.8° | 110.6° |
| N9A | C1D | H1' | 102.5° | 110.6° |
| C1D | N9A | C4A | 125.4° | 126.2° |
| C1D | N9A | C8A | 127.3° | 126.3° |
| C4A | N9A | C8A | 107.3° | 107.5° |
| N9A | C4A | C5X | 107.3° | 106.0° |
| N9A | C4A | N3A | 134.7° | 135.0° |
| N9A | C8A | N7A | 111.9° | 110.0° |
| N9A | C8A | H8 | 123.7° | 125.0° |
| C5X | C4A | N3A | 118.0° | 119.0° |
| C4A | C5X | N7A | 105.7° | 107.2° |
| C4A | C5X | C6A | 117.5° | 118.2° |
| C4A | N3A | C2A | 121.3° | 120.7° |
| N7A | C5X | C6A | 136.7° | 134.7° |
| C5X | N7A | C8A | 107.8° | 109.4° |
| C5X | C6A | N6A | 122.7° | 120.8° |
| C5X | C6A | N1A | 117.6° | 118.5° |
| N7A | C8A | H8 | 124.4° | 125.0° |
| N6A | C6A | N1A | 119.8° | 120.7° |
| C6A | N6A | HN61 | 107.5° | 120.0° |
| C6A | N6A | HN62 | 122.7° | 120.0° |
| C6A | N1A | C2A | 121.2° | 121.2° |
| HN61 | N6A | HN62 | 107.5° | 120.0° |
| N1A | C2A | N3A | 124.4° | 122.5° |
| N1A | C2A | H2 | 117.8° | 118.8° |
| N3A | C2A | H2 | 117.8° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | S1P | 179.4° | 180.0° |
| O1 | C1 | C2 | C3 | 41.2° | 0.0° |
| O1 | C1 | C2 | H21 | 166.4° | 120.0° |
| O1 | C1 | C2 | H22 | 84.1° | 120.0° |
| O1 | C1 | S1P | C2P | 25.5° | 0.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 116.4° | 120.1° |
| C1 | C2 | C3 | C4 | 178.1° | 175.0° |
| C1 | C2 | C3 | O3 | 54.7° | 64.9° |
| C1 | C2 | C3 | H3 | 64.5° | 55.0° |
| C2 | C1 | S1P | C2P | 155.1° | 180.0° |
| S1P | C1 | C2 | C3 | 139.4° | 180.0° |
| S1P | C1 | C2 | H21 | 14.2° | 60.0° |
| S1P | C1 | C2 | H22 | 95.3° | 60.0° |
| C1 | S1P | C2P | C3P | 113.2° | 180.0° |
| C1 | S1P | C2P | H11 | 12.1° | 60.0° |
| C1 | S1P | C2P | H12 | 121.6° | 60.0° |
| C3 | C2 | H21 | H22 | 116.4° | 120.0° |
| C2 | C3 | C4 | O3 | 124.3° | 120.0° |
| C2 | C3 | C4 | H3 | 116.3° | 120.0° |
| C2 | C3 | O3 | H3 | 116.5° | 119.9° |
| C2 | C3 | C4 | N5 | 153.7° | 173.6° |
| C2 | C3 | C4 | H41 | 28.4° | 66.4° |
| C2 | C3 | C4 | H42 | 81.1° | 53.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| H21 | C2 | C3 | C4 | 56.6° | 65.0° |
| H21 | C2 | C3 | O3 | 180.0° | 55.0° |
| H21 | C2 | C3 | H3 | 60.8° | 175.0° |
| H22 | C2 | C3 | C4 | 52.9° | 55.0° |
| H22 | C2 | C3 | O3 | 70.5° | 175.0° |
| H22 | C2 | C3 | H3 | 170.2° | 65.0° |
| C4 | C3 | O3 | H3 | 117.7° | 120.0° |
| C3 | C4 | N5 | H41 | 125.2° | 120.0° |
| C3 | C4 | N5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 115.4° | 120.1° |
| C3 | C4 | N5 | C5C | 24.3° | 62.2° |
| C3 | C4 | N5 | C5B | 143.2° | 177.8° |
| C3 | C4 | N5 | C5A | 99.3° | 57.8° |
| C4 | C3 | O3 | HO3 | 54.3° | 60.0° |
| O3 | C3 | C4 | N5 | 82.0° | 66.3° |
| O3 | C3 | C4 | H41 | 152.7° | 53.7° |
| O3 | C3 | C4 | H42 | 43.2° | 173.7° |
| H3 | C3 | C4 | N5 | 37.4° | 53.7° |
| H3 | C3 | C4 | H41 | 87.9° | 173.7° |
| H3 | C3 | C4 | H42 | 162.6° | 66.3° |
| H3 | C3 | O3 | HO3 | 63.5° | 180.0° |
| N5 | C4 | H41 | H42 | 115.3° | 120.0° |
| C4 | N5 | C5C | C5B | 120.4° | 120.0° |
| C4 | N5 | C5C | C5A | 125.1° | 120.0° |
| C4 | N5 | C5B | C5A | 121.6° | 120.0° |
| C4 | N5 | C5C | H5C1 | 54.7° | 48.5° |
| C4 | N5 | C5C | H5C2 | 180.0° | 168.5° |
| C4 | N5 | C5C | H5C3 | 54.7° | 71.5° |
| C4 | N5 | C5B | H5B1 | 54.8° | 60.0° |
| C4 | N5 | C5B | H5B2 | 180.0° | 180.0° |
| C4 | N5 | C5B | H5B3 | 54.7° | 60.0° |
| C4 | N5 | C5A | H5A1 | 54.7° | 60.0° |
| C4 | N5 | C5A | H5A2 | 180.0° | 180.0° |
| C4 | N5 | C5A | H5A3 | 54.7° | 60.0° |
| H41 | C4 | N5 | C5C | 101.0° | 57.8° |
| H41 | C4 | N5 | C5B | 18.0° | 62.3° |
| H41 | C4 | N5 | C5A | 135.4° | 177.7° |
| H42 | C4 | N5 | C5C | 149.6° | 177.8° |
| H42 | C4 | N5 | C5B | 91.5° | 57.7° |
| H42 | C4 | N5 | C5A | 26.0° | 62.3° |
| C5C | N5 | C5B | C5A | 117.1° | 120.0° |
| N5 | C5C | H5C1 | H5C2 | 125.1° | 119.9° |
| N5 | C5C | H5C1 | H5C3 | 117.4° | 120.0° |
| N5 | C5C | H5C2 | H5C3 | 125.3° | 120.0° |
| C5C | N5 | C5B | H5B1 | 66.5° | 180.0° |
| C5C | N5 | C5B | H5B2 | 58.7° | 60.0° |
| C5C | N5 | C5B | H5B3 | 176.0° | 60.0° |
| C5C | N5 | C5A | H5A1 | 179.2° | 60.0° |
| C5C | N5 | C5A | H5A2 | 55.5° | 60.0° |
| C5C | N5 | C5A | H5A3 | 69.7° | 179.9° |
| C5B | N5 | C5C | H5C1 | 175.1° | 71.5° |
| C5B | N5 | C5C | H5C2 | 59.6° | 48.5° |
| C5B | N5 | C5C | H5C3 | 65.7° | 168.5° |
| N5 | C5B | H5B1 | H5B2 | 124.1° | 120.0° |
| N5 | C5B | H5B1 | H5B3 | 118.0° | 120.0° |
| N5 | C5B | H5B2 | H5B3 | 125.3° | 120.0° |
| C5B | N5 | C5A | H5A1 | 65.2° | 180.0° |
| C5B | N5 | C5A | H5A2 | 60.0° | 60.0° |
| C5B | N5 | C5A | H5A3 | 174.7° | 60.0° |
| C5A | N5 | C5C | H5C1 | 70.4° | 168.5° |
| C5A | N5 | C5C | H5C2 | 54.9° | 71.5° |
| C5A | N5 | C5C | H5C3 | 179.9° | 48.5° |
| C5A | N5 | C5B | H5B1 | 176.4° | 60.0° |
| C5A | N5 | C5B | H5B2 | 58.4° | 60.0° |
| C5A | N5 | C5B | H5B3 | 66.9° | 180.0° |
| N5 | C5A | H5A1 | H5A2 | 126.0° | 120.0° |
| N5 | C5A | H5A1 | H5A3 | 117.0° | 120.0° |
| N5 | C5A | H5A2 | H5A3 | 125.3° | 120.0° |
| H5C1 | C5C | H5C2 | H5C3 | 109.4° | 120.0° |
| H5B1 | C5B | H5B2 | H5B3 | 109.5° | 120.0° |
| H5A1 | C5A | H5A2 | H5A3 | 109.5° | 120.0° |
| S1P | C2P | C3P | H11 | 125.3° | 120.0° |
| S1P | C2P | C3P | H12 | 125.3° | 120.0° |
| S1P | C2P | H11 | H12 | 120.2° | 120.0° |
| S1P | C2P | C3P | N4P | 173.9° | 180.0° |
| S1P | C2P | C3P | H31 | 48.6° | 60.0° |
| S1P | C2P | C3P | H32 | 60.9° | 60.0° |
| C3P | C2P | H11 | H12 | 120.2° | 120.0° |
| C2P | C3P | N4P | H31 | 125.2° | 120.0° |
| C2P | C3P | N4P | H32 | 125.3° | 120.0° |
| C2P | C3P | H31 | H32 | 117.3° | 120.0° |
| C2P | C3P | N4P | C5P | 76.3° | 180.0° |
| C2P | C3P | N4P | HN4 | 103.7° | 0.0° |
| H11 | C2P | C3P | N4P | 60.9° | 60.0° |
| H11 | C2P | C3P | H31 | 173.9° | 180.0° |
| H11 | C2P | C3P | H32 | 64.4° | 60.0° |
| H12 | C2P | C3P | N4P | 48.6° | 60.0° |
| H12 | C2P | C3P | H31 | 76.6° | 60.0° |
| H12 | C2P | C3P | H32 | 173.9° | 180.0° |
| N4P | C3P | H31 | H32 | 117.3° | 120.0° |
| C3P | N4P | C5P | HN4 | 180.0° | 180.0° |
| C3P | N4P | C5P | O5P | 26.9° | 0.0° |
| C3P | N4P | C5P | C6P | 152.9° | 180.0° |
| H31 | C3P | N4P | C5P | 48.9° | 60.0° |
| H31 | C3P | N4P | HN4 | 131.1° | 120.0° |
| H32 | C3P | N4P | C5P | 158.4° | 60.0° |
| H32 | C3P | N4P | HN4 | 21.6° | 120.0° |
| N4P | C5P | O5P | C6P | 179.7° | 180.0° |
| N4P | C5P | C6P | C7P | 111.3° | 180.0° |
| N4P | C5P | C6P | H61 | 14.0° | 60.1° |
| N4P | C5P | C6P | H62 | 123.5° | 60.0° |
| HN4 | N4P | C5P | O5P | 153.1° | 180.0° |
| HN4 | N4P | C5P | C6P | 27.1° | 0.0° |
| O5P | C5P | C6P | C7P | 69.0° | 0.0° |
| O5P | C5P | C6P | H61 | 165.8° | 120.0° |
| O5P | C5P | C6P | H62 | 56.3° | 120.0° |
| C5P | C6P | C7P | H61 | 125.2° | 120.0° |
| C5P | C6P | C7P | H62 | 125.3° | 120.0° |
| C5P | C6P | H61 | H62 | 117.0° | 120.1° |
| C5P | C6P | C7P | N8P | 42.5° | 180.0° |
| C5P | C6P | C7P | H71 | 167.8° | 60.0° |
| C5P | C6P | C7P | H72 | 82.7° | 60.0° |
| C7P | C6P | H61 | H62 | 116.9° | 120.0° |
| C6P | C7P | N8P | H71 | 125.3° | 120.0° |
| C6P | C7P | N8P | H72 | 125.2° | 120.0° |
| C6P | C7P | H71 | H72 | 116.2° | 120.0° |
| C6P | C7P | N8P | C9P | 85.0° | 180.0° |
| C6P | C7P | N8P | HN8 | 95.1° | 0.0° |
| H61 | C6P | C7P | N8P | 82.7° | 60.0° |
| H61 | C6P | C7P | H71 | 42.6° | 180.0° |
| H61 | C6P | C7P | H72 | 152.0° | 60.0° |
| H62 | C6P | C7P | N8P | 167.8° | 60.0° |
| H62 | C6P | C7P | H71 | 66.9° | 60.0° |
| H62 | C6P | C7P | H72 | 42.5° | 180.0° |
| N8P | C7P | H71 | H72 | 116.2° | 120.0° |
| C7P | N8P | C9P | HN8 | 180.0° | 180.0° |
| C7P | N8P | C9P | O9P | 5.9° | 2.3° |
| C7P | N8P | C9P | CAP | 173.2° | 177.6° |
| H71 | C7P | N8P | C9P | 40.3° | 60.0° |
| H71 | C7P | N8P | HN8 | 139.7° | 120.0° |
| H72 | C7P | N8P | C9P | 149.8° | 60.0° |
| H72 | C7P | N8P | HN8 | 30.2° | 120.0° |
| N8P | C9P | O9P | CAP | 179.1° | 179.9° |
| N8P | C9P | CAP | OAP | 6.7° | 169.8° |
| N8P | C9P | CAP | CBP | 112.7° | 70.2° |
| N8P | C9P | CAP | H10 | 129.1° | 49.8° |
| HN8 | N8P | C9P | O9P | 174.1° | 177.7° |
| HN8 | N8P | C9P | CAP | 6.8° | 2.4° |
| O9P | C9P | CAP | OAP | 172.4° | 10.3° |
| O9P | C9P | CAP | CBP | 68.2° | 109.7° |
| O9P | C9P | CAP | H10 | 50.0° | 130.3° |
| C9P | CAP | OAP | CBP | 125.1° | 120.0° |
| C9P | CAP | OAP | H10 | 116.4° | 120.0° |
| C9P | CAP | CBP | H10 | 116.1° | 120.0° |
| C9P | CAP | OAP | H1 | 180.0° | 60.0° |
| C9P | CAP | CBP | CDP | 139.1° | 65.7° |
| C9P | CAP | CBP | CEP | 22.4° | 174.4° |
| C9P | CAP | CBP | CCP | 103.8° | 54.3° |
| OAP | CAP | CBP | H10 | 122.5° | 120.0° |
| OAP | CAP | CBP | CDP | 17.6° | 174.3° |
| OAP | CAP | CBP | CEP | 99.0° | 54.3° |
| OAP | CAP | CBP | CCP | 134.8° | 65.7° |
| CBP | CAP | OAP | H1 | 54.9° | 60.0° |
| CAP | CBP | CDP | CEP | 122.2° | 119.9° |
| CAP | CBP | CDP | CCP | 116.8° | 120.0° |
| CAP | CBP | CEP | CCP | 124.6° | 120.0° |
| CAP | CBP | CDP | H131 | 54.7° | 52.8° |
| CAP | CBP | CDP | H132 | 180.0° | 67.3° |
| CAP | CBP | CDP | H133 | 54.7° | 172.8° |
| CAP | CBP | CEP | H141 | 54.8° | 176.2° |
| CAP | CBP | CEP | H142 | 180.0° | 56.2° |
| CAP | CBP | CEP | H143 | 54.7° | 63.8° |
| CAP | CBP | CCP | O6A | 123.9° | 180.0° |
| CAP | CBP | CCP | H121 | 110.8° | 60.0° |
| CAP | CBP | CCP | H122 | 1.3° | 60.0° |
| H10 | CAP | OAP | H1 | 63.6° | 180.0° |
| H10 | CAP | CBP | CDP | 104.8° | 54.3° |
| H10 | CAP | CBP | CEP | 138.5° | 65.7° |
| H10 | CAP | CBP | CCP | 12.3° | 174.3° |
| CDP | CBP | CEP | CCP | 119.4° | 120.1° |
| CBP | CDP | H131 | H132 | 120.7° | 120.0° |
| CBP | CDP | H131 | H133 | 119.7° | 120.0° |
| CBP | CDP | H132 | H133 | 125.3° | 119.9° |
| CDP | CBP | CEP | H141 | 61.3° | 63.8° |
| CDP | CBP | CEP | H142 | 63.9° | 176.2° |
| CDP | CBP | CEP | H143 | 170.8° | 56.2° |
| CDP | CBP | CCP | O6A | 9.3° | 60.0° |
| CDP | CBP | CCP | H121 | 134.6° | 60.0° |
| CDP | CBP | CCP | H122 | 115.9° | 180.0° |
| CEP | CBP | CDP | H131 | 177.0° | 67.2° |
| CEP | CBP | CDP | H132 | 57.8° | 172.8° |
| CEP | CBP | CDP | H133 | 67.5° | 52.8° |
| CBP | CEP | H141 | H142 | 127.8° | 120.0° |
| CBP | CEP | H141 | H143 | 116.1° | 120.0° |
| CBP | CEP | H142 | H143 | 125.3° | 120.0° |
| CEP | CBP | CCP | O6A | 108.2° | 60.0° |
| CEP | CBP | CCP | H121 | 17.0° | 180.0° |
| CEP | CBP | CCP | H122 | 126.5° | 59.9° |
| CCP | CBP | CDP | H131 | 62.0° | 172.8° |
| CCP | CBP | CDP | H132 | 63.3° | 52.7° |
| CCP | CBP | CDP | H133 | 171.5° | 67.2° |
| CCP | CBP | CEP | H141 | 179.3° | 56.2° |
| CCP | CBP | CEP | H142 | 55.4° | 63.7° |
| CCP | CBP | CEP | H143 | 69.8° | 176.2° |
| CBP | CCP | O6A | H121 | 125.3° | 120.0° |
| CBP | CCP | O6A | H122 | 125.3° | 120.0° |
| CBP | CCP | H121 | H122 | 117.2° | 120.0° |
| CBP | CCP | O6A | P2A | 108.5° | 180.0° |
| H131 | CDP | H132 | H133 | 109.5° | 120.0° |
| H141 | CEP | H142 | H143 | 109.5° | 120.0° |
| O6A | CCP | H121 | H122 | 117.2° | 120.0° |
| CCP | O6A | P2A | O4A | 170.9° | 55.0° |
| CCP | O6A | P2A | O5A | 43.6° | 65.0° |
| CCP | O6A | P2A | O3A | 74.8° | 175.0° |
| H121 | CCP | O6A | P2A | 126.3° | 60.0° |
| H122 | CCP | O6A | P2A | 16.8° | 60.0° |
| O6A | P2A | O4A | O5A | 123.8° | 120.0° |
| O6A | P2A | O4A | O3A | 113.6° | 120.0° |
| O6A | P2A | O5A | O3A | 117.9° | 120.0° |
| O6A | P2A | O3A | P1A | 93.2° | 160.0° |
| O4A | P2A | O5A | O3A | 122.6° | 120.0° |
| O4A | P2A | O3A | P1A | 18.0° | 40.0° |
| O5A | P2A | O3A | P1A | 146.1° | 80.0° |
| P2A | O3A | P1A | O1A | 142.2° | 45.0° |
| P2A | O3A | P1A | O2A | 11.4° | 75.0° |
| P2A | O3A | P1A | O5D | 103.3° | 165.0° |
| O3A | P1A | O1A | O2A | 125.9° | 120.0° |
| O3A | P1A | O1A | O5D | 114.4° | 120.0° |
| O3A | P1A | O2A | O5D | 115.5° | 120.0° |
| O3A | P1A | O2A | HO2 | 180.0° | 60.0° |
| O3A | P1A | O5D | C5D | 22.5° | 175.0° |
| O1A | P1A | O2A | O5D | 120.5° | 120.0° |
| O1A | P1A | O2A | HO2 | 56.0° | 180.0° |
| O1A | P1A | O5D | C5D | 136.7° | 55.0° |
| O2A | P1A | O5D | C5D | 95.4° | 65.0° |
| O5D | P1A | O2A | HO2 | 64.5° | 60.0° |
| P1A | O5D | C5D | C4D | 137.0° | 180.0° |
| P1A | O5D | C5D | H5'1 | 97.8° | 60.0° |
| P1A | O5D | C5D | H5'2 | 11.7° | 60.0° |
| O5D | C5D | C4D | H5'1 | 125.3° | 120.0° |
| O5D | C5D | C4D | H5'2 | 125.3° | 120.0° |
| O5D | C5D | H5'1 | H5'2 | 118.4° | 120.0° |
| O5D | C5D | C4D | C3D | 77.0° | 175.3° |
| O5D | C5D | C4D | O4D | 42.1° | 66.7° |
| O5D | C5D | C4D | H4' | 163.1° | 54.3° |
| C4D | C5D | H5'1 | H5'2 | 118.3° | 120.0° |
| C5D | C4D | C3D | O4D | 121.0° | 119.5° |
| C5D | C4D | C3D | H4' | 118.0° | 121.0° |
| C5D | C4D | O4D | H4' | 118.0° | 121.0° |
| C5D | C4D | C3D | O3D | 136.9° | 119.9° |
| C5D | C4D | C3D | C2D | 108.6° | 121.4° |
| C5D | C4D | C3D | H3' | 15.1° | 2.8° |
| C5D | C4D | O4D | C1D | 129.9° | 145.9° |
| H5'1 | C5D | C4D | C3D | 157.8° | 64.7° |
| H5'1 | C5D | C4D | O4D | 83.2° | 53.3° |
| H5'1 | C5D | C4D | H4' | 37.8° | 174.3° |
| H5'2 | C5D | C4D | C3D | 48.3° | 55.3° |
| H5'2 | C5D | C4D | O4D | 167.4° | 173.3° |
| H5'2 | C5D | C4D | H4' | 71.6° | 65.7° |
| C3D | C4D | O4D | H4' | 120.0° | 119.5° |
| C4D | C3D | O3D | C2D | 112.3° | 114.8° |
| C4D | C3D | O3D | H3' | 123.7° | 122.7° |
| C4D | C3D | C2D | H3' | 123.2° | 118.6° |
| C4D | C3D | O3D | P3D | 118.4° | 123.8° |
| C4D | C3D | C2D | O2D | 148.4° | 139.2° |
| C4D | C3D | C2D | C1D | 26.3° | 21.0° |
| C4D | C3D | C2D | H2' | 95.2° | 97.2° |
| C3D | C4D | O4D | C1D | 7.9° | 26.4° |
| O4D | C4D | C3D | O3D | 102.2° | 120.6° |
| O4D | C4D | C3D | C2D | 12.4° | 1.9° |
| O4D | C4D | C3D | H3' | 136.0° | 116.6° |
| C4D | O4D | C1D | C2D | 24.7° | 40.1° |
| C4D | O4D | C1D | N9A | 148.5° | 158.7° |
| C4D | O4D | C1D | H1' | 96.5° | 78.4° |
| H4' | C4D | C3D | O3D | 18.9° | 1.2° |
| H4' | C4D | C3D | C2D | 133.4° | 117.6° |
| H4' | C4D | C3D | H3' | 102.9° | 123.9° |
| H4' | C4D | O4D | C1D | 112.1° | 93.0° |
| O3D | C3D | C2D | H3' | 121.8° | 122.5° |
| C3D | O3D | P3D | O7A | 159.4° | 55.0° |
| C3D | O3D | P3D | O8A | 40.8° | 175.0° |
| C3D | O3D | P3D | O9A | 80.0° | 65.0° |
| O3D | C3D | C2D | O2D | 33.4° | 20.2° |
| O3D | C3D | C2D | C1D | 88.7° | 97.9° |
| O3D | C3D | C2D | H2' | 149.8° | 143.9° |
| C2D | C3D | O3D | P3D | 129.2° | 121.4° |
| C3D | C2D | O2D | C1D | 116.7° | 112.7° |
| C3D | C2D | O2D | H2' | 121.8° | 123.7° |
| C3D | C2D | C1D | H2' | 121.8° | 118.3° |
| C3D | C2D | O2D | H4 | 180.0° | 174.1° |
| C3D | C2D | C1D | O4D | 31.4° | 37.1° |
| C3D | C2D | C1D | N9A | 156.0° | 155.6° |
| C3D | C2D | C1D | H1' | 88.9° | 81.4° |
| H3' | C3D | O3D | P3D | 5.2° | 1.0° |
| H3' | C3D | C2D | O2D | 88.4° | 102.3° |
| H3' | C3D | C2D | C1D | 149.6° | 139.6° |
| H3' | C3D | C2D | H2' | 28.0° | 21.4° |
| O3D | P3D | O7A | O8A | 112.9° | 120.0° |
| O3D | P3D | O7A | O9A | 113.2° | 120.0° |
| O3D | P3D | O8A | O9A | 114.8° | 120.0° |
| O3D | P3D | O8A | HO8 | 180.0° | 180.0° |
| O3D | P3D | O9A | HO9 | 180.0° | 60.0° |
| O7A | P3D | O8A | O9A | 134.6° | 119.9° |
| O7A | P3D | O8A | HO8 | 69.4° | 60.0° |
| O7A | P3D | O9A | HO9 | 68.7° | 180.0° |
| O8A | P3D | O9A | HO9 | 64.9° | 60.0° |
| O9A | P3D | O8A | HO8 | 65.2° | 60.0° |
| O2D | C2D | C1D | H2' | 116.4° | 123.6° |
| O2D | C2D | C1D | O4D | 153.2° | 155.2° |
| O2D | C2D | C1D | N9A | 82.2° | 86.2° |
| O2D | C2D | C1D | H1' | 32.9° | 36.8° |
| C1D | C2D | O2D | H4 | 63.3° | 61.5° |
| C2D | C1D | O4D | N9A | 123.7° | 118.7° |
| C2D | C1D | O4D | H1' | 121.2° | 118.5° |
| C2D | C1D | N9A | H1' | 120.8° | 123.0° |
| C2D | C1D | N9A | C4A | 128.4° | 89.2° |
| C2D | C1D | N9A | C8A | 50.3° | 90.6° |
| H2' | C2D | O2D | H4 | 58.2° | 62.1° |
| H2' | C2D | C1D | O4D | 90.4° | 81.2° |
| H2' | C2D | C1D | N9A | 34.2° | 37.3° |
| H2' | C2D | C1D | H1' | 149.3° | 160.3° |
| O4D | C1D | N9A | H1' | 119.9° | 122.8° |
| O4D | C1D | N9A | C4A | 112.3° | 156.7° |
| O4D | C1D | N9A | C8A | 69.0° | 23.6° |
| C1D | N9A | C4A | C8A | 178.9° | 179.8° |
| C1D | N9A | C4A | C5X | 178.9° | 179.9° |
| C1D | N9A | C4A | N3A | 1.4° | 0.7° |
| C1D | N9A | C8A | N7A | 178.9° | 180.0° |
| C1D | N9A | C8A | H8 | 1.0° | 0.0° |
| H1' | C1D | N9A | C4A | 7.6° | 33.9° |
| H1' | C1D | N9A | C8A | 171.1° | 146.4° |
| N9A | C4A | C5X | N3A | 179.7° | 179.3° |
| N9A | C4A | C5X | N7A | 0.0° | 0.4° |
| N9A | C4A | C5X | C6A | 179.7° | 179.8° |
| C4A | N9A | C8A | N7A | 0.1° | 0.2° |
| C4A | N9A | C8A | H8 | 179.9° | 179.8° |
| N9A | C4A | N3A | C2A | 179.9° | 179.6° |
| C8A | N9A | C4A | C5X | 0.0° | 0.3° |
| C8A | N9A | C4A | N3A | 179.7° | 179.5° |
| N9A | C8A | N7A | C5X | 0.1° | 0.0° |
| N9A | C8A | N7A | H8 | 180.0° | 180.0° |
| C4A | C5X | N7A | C6A | 179.6° | 179.8° |
| C4A | C5X | N7A | C8A | 0.0° | 0.2° |
| C4A | C5X | C6A | N6A | 179.7° | 179.7° |
| C4A | C5X | C6A | N1A | 0.4° | 0.2° |
| C5X | C4A | N3A | C2A | 0.3° | 0.6° |
| N3A | C4A | C5X | N7A | 179.7° | 179.7° |
| N3A | C4A | C5X | C6A | 0.0° | 0.5° |
| C4A | N3A | C2A | N1A | 0.2° | 0.3° |
| C4A | N3A | C2A | H2 | 179.8° | 179.8° |
| C5X | N7A | C8A | H8 | 179.9° | 180.0° |
| N7A | C5X | C6A | N6A | 0.1° | 0.1° |
| N7A | C5X | C6A | N1A | 180.0° | 180.0° |
| C6A | C5X | N7A | C8A | 179.7° | 180.0° |
| C5X | C6A | N6A | N1A | 179.9° | 179.9° |
| C5X | C6A | N6A | HN61 | 54.7° | 0.1° |
| C5X | C6A | N6A | HN62 | 180.0° | 180.0° |
| C5X | C6A | N1A | C2A | 0.5° | 0.1° |
| C6A | N6A | HN61 | HN62 | 133.9° | 179.9° |
| N6A | C6A | N1A | C2A | 179.6° | 180.0° |
| N1A | C6A | N6A | HN61 | 125.2° | 179.9° |
| N1A | C6A | N6A | HN62 | 0.1° | 0.1° |
| C6A | N1A | C2A | N3A | 0.2° | 0.0° |
| C6A | N1A | C2A | H2 | 179.8° | 179.9° |
| N1A | C2A | N3A | H2 | 180.0° | 179.9° |
