A1S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5A | P2A | doub | 1.48Å | 1.50Å | |
| O4A | P2A | sing | 1.61Å | 1.51Å | |
| P2A | O3A | sing | 1.61Å | 1.61Å | |
| P2A | O6A | sing | 1.61Å | 1.61Å | |
| C5B | C4B | sing | 1.53Å | 1.52Å | |
| C5B | O5B | sing | 1.43Å | 1.43Å | |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| O3A | P1A | sing | 1.61Å | 1.61Å | |
| O8A | P3B | doub | 1.48Å | 1.51Å | |
| O3B | C3B | sing | 1.43Å | 1.42Å | |
| O3B | P3B | sing | 1.61Å | 1.62Å | |
| O2B | C2B | sing | 1.43Å | 1.43Å | |
| O4B | C1B | sing | 1.44Å | 1.42Å | |
| C3B | C2B | sing | 1.55Å | 1.51Å | |
| O6A | CCP | sing | 1.43Å | 1.43Å | |
| P3B | O9A | sing | 1.61Å | 1.51Å | |
| P3B | O7A | sing | 1.61Å | 1.51Å | |
| O5B | P1A | sing | 1.61Å | 1.61Å | |
| O2A | P1A | doub | 1.48Å | 1.51Å | |
| P1A | O1A | sing | 1.61Å | 1.51Å | |
| C1B | C2B | sing | 1.55Å | 1.52Å | |
| C1B | N9A | sing | 1.47Å | 1.48Å | |
| CCP | CBP | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| CEP | CBP | sing | 1.53Å | 1.53Å | |
| CBP | CDP | sing | 1.53Å | 1.53Å | |
| CBP | CAP | sing | 1.53Å | 1.54Å | |
| N9A | C8A | sing | 1.36Å | 1.34Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| CAP | OAP | sing | 1.43Å | 1.44Å | |
| CAP | C9P | sing | 1.51Å | 1.51Å | |
| C4A | N3A | doub | 1.33Å | 1.36Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.38Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | S1P | sing | 1.81Å | 1.76Å | |
| N7A | C5A | sing | 1.35Å | 1.35Å | Aromatic |
| O9P | C9P | doub | 1.21Å | 1.22Å | |
| C5A | C6A | doub | 1.41Å | 1.39Å | Aromatic |
| C9P | N8P | sing | 1.35Å | 1.27Å | |
| C2A | N1A | doub | 1.32Å | 1.34Å | Aromatic |
| C3P | N4P | sing | 1.46Å | 1.46Å | |
| C3P | C2P | sing | 1.53Å | 1.53Å | |
| S1P | C2P | sing | 1.81Å | 1.77Å | |
| N4P | C5P | sing | 1.35Å | 1.26Å | |
| N8P | C7P | sing | 1.47Å | 1.46Å | |
| C6A | N1A | sing | 1.33Å | 1.35Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.35Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| C5P | C6P | sing | 1.51Å | 1.52Å | |
| C6P | C7P | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| O7A | H12 | sing | 0.97Å | 0.95Å | |
| O9A | H13 | sing | 0.97Å | 0.95Å | |
| C3B | H14 | sing | 1.09Å | 1.10Å | |
| C2B | H15 | sing | 1.09Å | 1.10Å | |
| O2B | H16 | sing | 0.97Å | 0.95Å | |
| C1B | H17 | sing | 1.09Å | 1.10Å | |
| C8A | H18 | sing | 1.08Å | 1.08Å | |
| N6A | H19 | sing | 0.97Å | 1.00Å | |
| N6A | H20 | sing | 0.97Å | 1.00Å | |
| C2A | H21 | sing | 1.08Å | 1.08Å | |
| C4B | H22 | sing | 1.09Å | 1.10Å | |
| C5B | H23 | sing | 1.09Å | 1.10Å | |
| C5B | H24 | sing | 1.09Å | 1.10Å | |
| O1A | H25 | sing | 0.97Å | 0.95Å | |
| O4A | H26 | sing | 0.97Å | 0.95Å | |
| CCP | H27 | sing | 1.09Å | 1.10Å | |
| CCP | H28 | sing | 1.09Å | 1.10Å | |
| CDP | H29 | sing | 1.09Å | 1.10Å | |
| CDP | H30 | sing | 1.09Å | 1.10Å | |
| CDP | H31 | sing | 1.09Å | 1.10Å | |
| CEP | H32 | sing | 1.09Å | 1.10Å | |
| CEP | H33 | sing | 1.09Å | 1.10Å | |
| CEP | H34 | sing | 1.09Å | 1.10Å | |
| CAP | H35 | sing | 1.09Å | 1.10Å | |
| OAP | H36 | sing | 0.97Å | 0.95Å | |
| N8P | H37 | sing | 0.97Å | 1.00Å | |
| C7P | H38 | sing | 1.09Å | 1.10Å | |
| C7P | H39 | sing | 1.09Å | 1.10Å | |
| C6P | H40 | sing | 1.09Å | 1.10Å | |
| C6P | H41 | sing | 1.09Å | 1.10Å | |
| N4P | H42 | sing | 0.97Å | 1.00Å | |
| C3P | H43 | sing | 1.09Å | 1.10Å | |
| C3P | H44 | sing | 1.09Å | 1.10Å | |
| C2P | H45 | sing | 1.09Å | 1.10Å | |
| C2P | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5A | P2A | O4A | 118.3° | 109.5° |
| O5A | P2A | O3A | 109.8° | 109.5° |
| O5A | P2A | O6A | 109.0° | 109.5° |
| O4A | P2A | O3A | 105.0° | 109.5° |
| O4A | P2A | O6A | 107.9° | 109.5° |
| P2A | O4A | H26 | 109.5° | 114.0° |
| O3A | P2A | O6A | 106.2° | 109.4° |
| P2A | O3A | P1A | 132.5° | 133.9° |
| P2A | O6A | CCP | 122.3° | 123.0° |
| C4B | C5B | O5B | 109.5° | 109.5° |
| C5B | C4B | O4B | 110.7° | 110.3° |
| C5B | C4B | C3B | 113.4° | 110.4° |
| C5B | C4B | H22 | 108.9° | 110.5° |
| C4B | C5B | H23 | 109.5° | 109.4° |
| C4B | C5B | H24 | 109.5° | 109.5° |
| C5B | O5B | P1A | 119.7° | 123.0° |
| O5B | C5B | H23 | 109.5° | 109.5° |
| O5B | C5B | H24 | 109.5° | 109.5° |
| O4B | C4B | C3B | 105.0° | 104.8° |
| C4B | O4B | C1B | 110.3° | 105.3° |
| O4B | C4B | H22 | 110.0° | 110.3° |
| C4B | C3B | O3B | 110.7° | 110.5° |
| C4B | C3B | C2B | 102.1° | 104.1° |
| C4B | C3B | H14 | 109.6° | 110.6° |
| C3B | C4B | H22 | 108.8° | 110.4° |
| O3A | P1A | O5B | 104.8° | 109.4° |
| O3A | P1A | O2A | 104.3° | 109.5° |
| O3A | P1A | O1A | 111.9° | 109.5° |
| O8A | P3B | O3B | 102.3° | 109.4° |
| O8A | P3B | O9A | 113.8° | 109.5° |
| O8A | P3B | O7A | 114.4° | 109.5° |
| C3B | O3B | P3B | 122.7° | 123.0° |
| O3B | C3B | C2B | 113.5° | 110.5° |
| O3B | C3B | H14 | 111.0° | 110.5° |
| O3B | P3B | O9A | 104.1° | 109.4° |
| O3B | P3B | O7A | 106.8° | 109.5° |
| O2B | C2B | C3B | 111.2° | 110.5° |
| O2B | C2B | C1B | 107.7° | 110.6° |
| O2B | C2B | H15 | 112.2° | 110.5° |
| C2B | O2B | H16 | 109.5° | 114.0° |
| O4B | C1B | C2B | 106.7° | 104.8° |
| O4B | C1B | N9A | 110.7° | 110.4° |
| O4B | C1B | H17 | 110.8° | 110.5° |
| C3B | C2B | C1B | 103.5° | 104.0° |
| C2B | C3B | H14 | 109.6° | 110.5° |
| C3B | C2B | H15 | 110.9° | 110.5° |
| O6A | CCP | CBP | 111.1° | 109.5° |
| O6A | CCP | H27 | 109.1° | 109.5° |
| O6A | CCP | H28 | 109.1° | 109.5° |
| O9A | P3B | O7A | 113.9° | 109.5° |
| P3B | O9A | H13 | 109.5° | 114.0° |
| P3B | O7A | H12 | 109.5° | 114.0° |
| O5B | P1A | O2A | 106.7° | 109.5° |
| O5B | P1A | O1A | 109.0° | 109.4° |
| O2A | P1A | O1A | 119.2° | 109.5° |
| P1A | O1A | H25 | 109.5° | 114.0° |
| C2B | C1B | N9A | 109.2° | 110.4° |
| C1B | C2B | H15 | 110.9° | 110.5° |
| C2B | C1B | H17 | 109.5° | 110.4° |
| C1B | N9A | C8A | 126.8° | 126.3° |
| C1B | N9A | C4A | 124.5° | 126.3° |
| N9A | C1B | H17 | 109.9° | 110.3° |
| CCP | CBP | CEP | 107.6° | 109.4° |
| CCP | CBP | CDP | 107.5° | 109.5° |
| CCP | CBP | CAP | 109.2° | 109.5° |
| CBP | CCP | H27 | 109.1° | 109.5° |
| CBP | CCP | H28 | 109.1° | 109.4° |
| C5 | C3 | C4 | 110.2° | 109.5° |
| C5 | C3 | C2 | 111.8° | 109.5° |
| C5 | C3 | H5 | 108.4° | 109.5° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| C3 | C5 | H10 | 109.4° | 109.5° |
| C3 | C5 | H11 | 109.5° | 109.5° |
| C4 | C3 | C2 | 109.6° | 109.5° |
| C4 | C3 | H5 | 108.4° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.4° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C2 | C1 | 110.5° | 109.5° |
| C3 | C2 | H3 | 109.2° | 109.5° |
| C3 | C2 | H4 | 109.2° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.5° |
| CEP | CBP | CDP | 108.7° | 109.4° |
| CEP | CBP | CAP | 111.3° | 109.5° |
| CBP | CEP | H32 | 109.5° | 109.5° |
| CBP | CEP | H33 | 109.5° | 109.4° |
| CBP | CEP | H34 | 109.5° | 109.5° |
| CDP | CBP | CAP | 112.4° | 109.5° |
| CBP | CDP | H29 | 109.5° | 109.5° |
| CBP | CDP | H30 | 109.5° | 109.5° |
| CBP | CDP | H31 | 109.5° | 109.5° |
| CBP | CAP | OAP | 111.2° | 109.5° |
| CBP | CAP | C9P | 114.3° | 109.5° |
| CBP | CAP | H35 | 107.0° | 109.5° |
| C8A | N9A | C4A | 108.7° | 107.4° |
| N9A | C8A | N7A | 108.7° | 110.0° |
| N9A | C8A | H18 | 125.7° | 125.0° |
| N9A | C4A | N3A | 132.4° | 134.9° |
| N9A | C4A | C5A | 107.5° | 106.0° |
| C8A | N7A | C5A | 107.7° | 109.4° |
| N7A | C8A | H18 | 125.7° | 125.0° |
| C2 | C1 | S1P | 111.6° | 109.4° |
| C2 | C1 | H1 | 109.0° | 109.4° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | H3 | 109.2° | 109.5° |
| C1 | C2 | H4 | 109.2° | 109.5° |
| OAP | CAP | C9P | 108.5° | 109.4° |
| OAP | CAP | H35 | 108.2° | 109.5° |
| CAP | OAP | H36 | 109.5° | 114.0° |
| CAP | C9P | O9P | 119.6° | 120.0° |
| CAP | C9P | N8P | 117.1° | 119.9° |
| C9P | CAP | H35 | 107.3° | 109.5° |
| N3A | C4A | C5A | 120.1° | 119.1° |
| C4A | N3A | C2A | 120.3° | 120.6° |
| C4A | C5A | N7A | 107.4° | 107.2° |
| C4A | C5A | C6A | 118.5° | 118.1° |
| N3A | C2A | N1A | 120.5° | 122.4° |
| N3A | C2A | H21 | 119.7° | 118.8° |
| C1 | S1P | C2P | 107.0° | 103.0° |
| S1P | C1 | H1 | 108.9° | 109.4° |
| S1P | C1 | H2 | 108.9° | 109.5° |
| N7A | C5A | C6A | 134.1° | 134.7° |
| O9P | C9P | N8P | 123.3° | 120.0° |
| C5A | C6A | N1A | 119.2° | 118.5° |
| C5A | C6A | N6A | 121.1° | 120.7° |
| C9P | N8P | C7P | 129.0° | 119.9° |
| C9P | N8P | H37 | 115.5° | 120.1° |
| C2A | N1A | C6A | 121.4° | 121.2° |
| N1A | C2A | H21 | 119.7° | 118.8° |
| N4P | C3P | C2P | 106.5° | 109.5° |
| C3P | N4P | C5P | 126.6° | 120.0° |
| C3P | N4P | H42 | 116.7° | 120.0° |
| N4P | C3P | H43 | 110.2° | 109.5° |
| N4P | C3P | H44 | 110.2° | 109.5° |
| C3P | C2P | S1P | 109.6° | 109.5° |
| C2P | C3P | H43 | 110.2° | 109.5° |
| C2P | C3P | H44 | 110.2° | 109.4° |
| C3P | C2P | H45 | 109.5° | 109.5° |
| C3P | C2P | H46 | 109.4° | 109.4° |
| S1P | C2P | H45 | 109.4° | 109.5° |
| S1P | C2P | H46 | 109.5° | 109.5° |
| N4P | C5P | O5P | 122.4° | 120.0° |
| N4P | C5P | C6P | 116.3° | 120.0° |
| C5P | N4P | H42 | 116.7° | 120.0° |
| N8P | C7P | C6P | 108.6° | 109.5° |
| C7P | N8P | H37 | 115.5° | 120.0° |
| N8P | C7P | H38 | 109.7° | 109.4° |
| N8P | C7P | H39 | 109.7° | 109.4° |
| N1A | C6A | N6A | 119.7° | 120.8° |
| C6A | N6A | H19 | 109.5° | 120.0° |
| C6A | N6A | H20 | 109.5° | 120.0° |
| O5P | C5P | C6P | 121.3° | 120.0° |
| C5P | C6P | C7P | 111.8° | 109.4° |
| C5P | C6P | H40 | 108.9° | 109.5° |
| C5P | C6P | H41 | 108.9° | 109.5° |
| C6P | C7P | H38 | 109.7° | 109.5° |
| C6P | C7P | H39 | 109.7° | 109.5° |
| C7P | C6P | H40 | 108.9° | 109.4° |
| C7P | C6P | H41 | 108.9° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H19 | N6A | H20 | 109.5° | 120.0° |
| H23 | C5B | H24 | 109.5° | 109.5° |
| H27 | CCP | H28 | 109.4° | 109.5° |
| H29 | CDP | H30 | 109.5° | 109.5° |
| H29 | CDP | H31 | 109.4° | 109.5° |
| H30 | CDP | H31 | 109.5° | 109.5° |
| H32 | CEP | H33 | 109.5° | 109.4° |
| H32 | CEP | H34 | 109.5° | 109.5° |
| H33 | CEP | H34 | 109.4° | 109.5° |
| H38 | C7P | H39 | 109.5° | 109.5° |
| H40 | C6P | H41 | 109.5° | 109.5° |
| H43 | C3P | H44 | 109.4° | 109.5° |
| H45 | C2P | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5A | P2A | O4A | O3A | 122.8° | 120.0° |
| O5A | P2A | O4A | O6A | 124.2° | 120.0° |
| O5A | P2A | O3A | O6A | 117.7° | 120.0° |
| O5A | P2A | O3A | P1A | 94.1° | 40.0° |
| O5A | P2A | O6A | CCP | 29.6° | 54.9° |
| O5A | P2A | O4A | H26 | 0.0° | 180.0° |
| O4A | P2A | O3A | O6A | 114.2° | 120.0° |
| O4A | P2A | O3A | P1A | 137.7° | 80.0° |
| O4A | P2A | O6A | CCP | 159.3° | 65.1° |
| O3A | P2A | O6A | CCP | 88.6° | 175.0° |
| P2A | O3A | P1A | O5B | 66.9° | 165.0° |
| P2A | O3A | P1A | O2A | 178.8° | 45.0° |
| P2A | O3A | P1A | O1A | 51.0° | 75.0° |
| O3A | P2A | O4A | H26 | 122.8° | 59.9° |
| O6A | P2A | O3A | P1A | 23.6° | 160.0° |
| P2A | O6A | CCP | CBP | 170.0° | 180.0° |
| O6A | P2A | O4A | H26 | 124.2° | 60.0° |
| P2A | O6A | CCP | H27 | 69.8° | 60.0° |
| P2A | O6A | CCP | H28 | 49.7° | 60.1° |
| C4B | C5B | O5B | H23 | 120.0° | 120.0° |
| C4B | C5B | O5B | H24 | 120.0° | 120.0° |
| C5B | C4B | O4B | C3B | 122.7° | 118.8° |
| C5B | C4B | O4B | H22 | 120.4° | 122.3° |
| C5B | C4B | C3B | H22 | 121.3° | 122.4° |
| C5B | C4B | C3B | O3B | 84.4° | 98.6° |
| C5B | C4B | O4B | C1B | 143.7° | 159.3° |
| C5B | C4B | C3B | C2B | 154.5° | 142.8° |
| C4B | C5B | O5B | P1A | 154.2° | 179.9° |
| C5B | C4B | C3B | H14 | 38.3° | 24.1° |
| C4B | C5B | H23 | H24 | 120.0° | 120.0° |
| O5B | C5B | C4B | O4B | 59.3° | 66.5° |
| O5B | C5B | C4B | C3B | 58.3° | 178.2° |
| C5B | O5B | P1A | O3A | 51.2° | 175.0° |
| C5B | O5B | P1A | O2A | 59.0° | 55.0° |
| C5B | O5B | P1A | O1A | 171.1° | 65.0° |
| O5B | C5B | C4B | H22 | 179.6° | 55.8° |
| O5B | C5B | H23 | H24 | 120.0° | 120.0° |
| O4B | C4B | C3B | H22 | 117.8° | 118.8° |
| O4B | C4B | C3B | O3B | 154.7° | 142.6° |
| O4B | C4B | C3B | C2B | 33.6° | 24.0° |
| C4B | O4B | C1B | C2B | 0.5° | 40.5° |
| C4B | O4B | C1B | N9A | 118.2° | 159.3° |
| O4B | C4B | C3B | H14 | 82.6° | 94.7° |
| C4B | O4B | C1B | H17 | 119.6° | 78.4° |
| O4B | C4B | C5B | H23 | 60.7° | 173.6° |
| O4B | C4B | C5B | H24 | 179.3° | 53.6° |
| C4B | C3B | O3B | C2B | 114.1° | 114.6° |
| C4B | C3B | O3B | H14 | 121.9° | 122.8° |
| C4B | C3B | O3B | P3B | 177.2° | 123.9° |
| C4B | C3B | C2B | O2B | 82.1° | 118.7° |
| C3B | C4B | O4B | C1B | 21.0° | 40.5° |
| C4B | C3B | C2B | H14 | 116.1° | 118.8° |
| C4B | C3B | C2B | C1B | 33.3° | 0.0° |
| C4B | C3B | C2B | H15 | 152.2° | 118.7° |
| C3B | C4B | C5B | H23 | 178.3° | 58.2° |
| C3B | C4B | C5B | H24 | 61.7° | 61.8° |
| O3A | P1A | O5B | O2A | 110.2° | 120.0° |
| O3A | P1A | O5B | O1A | 119.9° | 120.0° |
| O3A | P1A | O2A | O1A | 125.7° | 120.0° |
| O3A | P1A | O1A | H25 | 122.0° | 60.0° |
| O8A | P3B | O3B | C3B | 161.3° | 55.0° |
| O8A | P3B | O3B | O9A | 118.7° | 119.9° |
| O8A | P3B | O3B | O7A | 120.5° | 120.0° |
| O8A | P3B | O9A | O7A | 133.5° | 120.1° |
| O8A | P3B | O7A | H12 | 0.0° | 60.0° |
| O8A | P3B | O9A | H13 | 0.0° | 180.0° |
| O3B | C3B | C2B | O2B | 37.1° | 0.1° |
| O3B | C3B | C2B | H14 | 124.7° | 122.6° |
| C3B | O3B | P3B | O9A | 79.9° | 65.0° |
| C3B | O3B | P3B | O7A | 40.9° | 175.0° |
| O3B | C3B | C2B | C1B | 152.4° | 118.7° |
| O3B | C3B | C2B | H15 | 88.6° | 122.7° |
| O3B | C3B | C4B | H22 | 36.9° | 23.8° |
| P3B | O3B | C3B | C2B | 68.7° | 121.5° |
| O3B | P3B | O9A | O7A | 115.9° | 120.0° |
| O3B | P3B | O7A | H12 | 112.3° | 180.0° |
| O3B | P3B | O9A | H13 | 110.5° | 60.1° |
| P3B | O3B | C3B | H14 | 55.3° | 1.1° |
| O2B | C2B | C1B | O4B | 96.1° | 142.7° |
| O2B | C2B | C3B | C1B | 115.4° | 118.8° |
| O2B | C2B | C3B | H15 | 125.7° | 122.6° |
| O2B | C2B | C1B | H15 | 123.2° | 122.7° |
| O2B | C2B | C1B | N9A | 144.3° | 98.5° |
| O2B | C2B | C3B | H14 | 161.8° | 122.4° |
| O2B | C2B | C1B | H17 | 23.9° | 23.7° |
| O4B | C1B | C2B | C3B | 21.8° | 24.0° |
| O4B | C1B | C2B | N9A | 119.7° | 118.8° |
| O4B | C1B | C2B | H17 | 119.9° | 119.0° |
| O4B | C1B | N9A | H17 | 122.7° | 122.4° |
| O4B | C1B | N9A | C8A | 12.9° | 20.4° |
| O4B | C1B | N9A | C4A | 167.6° | 159.9° |
| O4B | C1B | C2B | H15 | 140.8° | 94.7° |
| C1B | O4B | C4B | H22 | 95.9° | 78.3° |
| C3B | C2B | C1B | H15 | 119.0° | 118.6° |
| C3B | C2B | C1B | N9A | 97.9° | 142.8° |
| C3B | C2B | O2B | H16 | 180.0° | 180.0° |
| C3B | C2B | C1B | H17 | 141.7° | 95.0° |
| C2B | C3B | C4B | H22 | 84.2° | 94.8° |
| O6A | CCP | CBP | H27 | 120.3° | 120.0° |
| O6A | CCP | CBP | H28 | 120.3° | 120.0° |
| O6A | CCP | CBP | CEP | 66.9° | 60.0° |
| O6A | CCP | CBP | CDP | 176.2° | 59.9° |
| O6A | CCP | CBP | CAP | 54.0° | 180.0° |
| O6A | CCP | H27 | H28 | 119.3° | 120.0° |
| O9A | P3B | O7A | H12 | 133.3° | 60.0° |
| O7A | P3B | O9A | H13 | 133.6° | 59.9° |
| O5B | P1A | O2A | O1A | 123.8° | 120.0° |
| P1A | O5B | C5B | H23 | 85.8° | 60.0° |
| P1A | O5B | C5B | H24 | 34.2° | 60.0° |
| O5B | P1A | O1A | H25 | 122.6° | 60.0° |
| O2A | P1A | O1A | H25 | 0.0° | 179.9° |
| C2B | C1B | N9A | H17 | 120.1° | 122.2° |
| C2B | C1B | N9A | C8A | 104.2° | 95.0° |
| C2B | C1B | N9A | C4A | 75.3° | 84.7° |
| C1B | C2B | C3B | H14 | 82.8° | 118.8° |
| C1B | C2B | O2B | H16 | 67.3° | 65.3° |
| C1B | N9A | C8A | C4A | 179.6° | 179.7° |
| C1B | N9A | C8A | N7A | 180.0° | 180.0° |
| C1B | N9A | C4A | N3A | 0.5° | 0.7° |
| C1B | N9A | C4A | C5A | 179.8° | 179.9° |
| N9A | C1B | C2B | H15 | 21.1° | 24.2° |
| C1B | N9A | C8A | H18 | 0.0° | 0.1° |
| CCP | CBP | CEP | CDP | 116.1° | 120.0° |
| CCP | CBP | CEP | CAP | 119.6° | 120.0° |
| CCP | CBP | CDP | CAP | 120.2° | 120.0° |
| CCP | CBP | CAP | OAP | 57.6° | 65.7° |
| CCP | CBP | CAP | C9P | 179.1° | 54.3° |
| CBP | CCP | H27 | H28 | 119.2° | 119.9° |
| CCP | CBP | CDP | H29 | 180.0° | 66.4° |
| CCP | CBP | CDP | H30 | 60.0° | 173.6° |
| CCP | CBP | CDP | H31 | 60.0° | 53.6° |
| CCP | CBP | CEP | H32 | 180.0° | 63.5° |
| CCP | CBP | CEP | H33 | 60.0° | 176.6° |
| CCP | CBP | CEP | H34 | 60.0° | 56.6° |
| CCP | CBP | CAP | H35 | 60.4° | 174.3° |
| C5 | C3 | C4 | C2 | 123.4° | 120.0° |
| C5 | C3 | C4 | H5 | 118.5° | 120.0° |
| C5 | C3 | C2 | H5 | 119.4° | 120.0° |
| C5 | C3 | C2 | C1 | 79.3° | 65.0° |
| C5 | C3 | C2 | H3 | 40.9° | 175.0° |
| C5 | C3 | C2 | H4 | 160.6° | 55.0° |
| C5 | C3 | C4 | H6 | 180.0° | 60.0° |
| C5 | C3 | C4 | H7 | 60.0° | 60.0° |
| C5 | C3 | C4 | H8 | 60.0° | 180.0° |
| C3 | C5 | H9 | H10 | 120.0° | 120.0° |
| C3 | C5 | H9 | H11 | 120.0° | 120.0° |
| C3 | C5 | H10 | H11 | 120.0° | 120.0° |
| C4 | C3 | C2 | H5 | 118.2° | 120.0° |
| C4 | C3 | C2 | C1 | 158.3° | 175.0° |
| C4 | C3 | C2 | H3 | 81.5° | 55.0° |
| C4 | C3 | C2 | H4 | 38.1° | 65.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | C3 | C5 | H9 | 180.0° | 60.0° |
| C4 | C3 | C5 | H10 | 60.0° | 180.0° |
| C4 | C3 | C5 | H11 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 120.2° | 120.0° |
| C3 | C2 | C1 | H4 | 120.1° | 120.0° |
| C3 | C2 | C1 | S1P | 151.8° | 180.0° |
| C3 | C2 | C1 | H1 | 31.4° | 60.1° |
| C3 | C2 | C1 | H2 | 87.9° | 60.0° |
| C3 | C2 | H3 | H4 | 119.5° | 120.0° |
| C2 | C3 | C4 | H6 | 56.6° | 60.0° |
| C2 | C3 | C4 | H7 | 63.4° | 180.0° |
| C2 | C3 | C4 | H8 | 176.6° | 60.0° |
| C2 | C3 | C5 | H9 | 57.9° | 60.0° |
| C2 | C3 | C5 | H10 | 177.9° | 60.0° |
| C2 | C3 | C5 | H11 | 62.1° | 180.0° |
| CEP | CBP | CDP | CAP | 123.6° | 120.0° |
| CEP | CBP | CAP | OAP | 176.2° | 54.3° |
| CEP | CBP | CAP | C9P | 60.5° | 174.3° |
| CEP | CBP | CCP | H27 | 172.8° | 60.0° |
| CEP | CBP | CCP | H28 | 53.3° | 180.0° |
| CEP | CBP | CDP | H29 | 63.8° | 53.6° |
| CEP | CBP | CDP | H30 | 176.1° | 66.5° |
| CEP | CBP | CDP | H31 | 56.1° | 173.6° |
| CBP | CEP | H32 | H33 | 120.0° | 119.9° |
| CBP | CEP | H32 | H34 | 120.0° | 120.1° |
| CBP | CEP | H33 | H34 | 120.0° | 120.1° |
| CEP | CBP | CAP | H35 | 58.2° | 65.7° |
| CDP | CBP | CAP | OAP | 61.6° | 174.2° |
| CDP | CBP | CAP | C9P | 61.7° | 65.8° |
| CDP | CBP | CCP | H27 | 55.9° | 180.0° |
| CDP | CBP | CCP | H28 | 63.5° | 60.0° |
| CBP | CDP | H29 | H30 | 120.0° | 120.0° |
| CBP | CDP | H29 | H31 | 120.0° | 120.0° |
| CBP | CDP | H30 | H31 | 120.0° | 120.0° |
| CDP | CBP | CEP | H32 | 63.9° | 176.6° |
| CDP | CBP | CEP | H33 | 56.1° | 56.7° |
| CDP | CBP | CEP | H34 | 176.0° | 63.4° |
| CDP | CBP | CAP | H35 | 179.6° | 54.3° |
| CBP | CAP | OAP | C9P | 126.6° | 120.0° |
| CBP | CAP | OAP | H35 | 117.2° | 120.0° |
| CBP | CAP | C9P | H35 | 118.5° | 120.0° |
| CBP | CAP | C9P | O9P | 80.8° | 111.8° |
| CBP | CAP | C9P | N8P | 99.9° | 68.1° |
| CAP | CBP | CCP | H27 | 66.3° | 60.0° |
| CAP | CBP | CCP | H28 | 174.2° | 60.0° |
| CAP | CBP | CDP | H29 | 59.8° | 173.6° |
| CAP | CBP | CDP | H30 | 60.2° | 53.6° |
| CAP | CBP | CDP | H31 | 179.7° | 66.4° |
| CAP | CBP | CEP | H32 | 60.4° | 56.5° |
| CAP | CBP | CEP | H33 | 179.6° | 63.4° |
| CAP | CBP | CEP | H34 | 59.6° | 176.6° |
| CBP | CAP | OAP | H36 | 180.0° | 60.0° |
| N9A | C8A | N7A | H18 | 180.0° | 179.9° |
| C8A | N9A | C4A | N3A | 179.9° | 179.6° |
| C8A | N9A | C4A | C5A | 0.2° | 0.4° |
| N9A | C8A | N7A | C5A | 0.4° | 0.0° |
| C8A | N9A | C1B | H17 | 135.6° | 142.8° |
| C4A | N9A | C8A | N7A | 0.4° | 0.3° |
| N9A | C4A | N3A | C5A | 179.6° | 179.1° |
| N9A | C4A | N3A | C2A | 179.9° | 179.6° |
| N9A | C4A | C5A | N7A | 0.0° | 0.3° |
| N9A | C4A | C5A | C6A | 179.6° | 179.8° |
| C4A | N9A | C1B | H17 | 44.8° | 37.5° |
| C4A | N9A | C8A | H18 | 179.5° | 179.8° |
| C8A | N7A | C5A | C4A | 0.3° | 0.2° |
| C8A | N7A | C5A | C6A | 179.8° | 180.0° |
| C2 | C1 | S1P | H1 | 120.3° | 119.9° |
| C2 | C1 | S1P | H2 | 120.3° | 120.0° |
| C2 | C1 | S1P | C2P | 167.3° | 180.0° |
| C2 | C1 | H1 | H2 | 119.0° | 120.0° |
| C1 | C2 | H3 | H4 | 119.5° | 120.0° |
| C1 | C2 | C3 | H5 | 40.1° | 55.0° |
| OAP | CAP | C9P | H35 | 116.7° | 120.0° |
| OAP | CAP | C9P | O9P | 154.4° | 8.2° |
| OAP | CAP | C9P | N8P | 24.9° | 171.9° |
| CAP | C9P | O9P | N8P | 179.2° | 179.9° |
| CAP | C9P | N8P | C7P | 179.6° | 175.5° |
| C9P | CAP | OAP | H36 | 53.4° | 60.0° |
| CAP | C9P | N8P | H37 | 0.4° | 4.5° |
| N3A | C4A | C5A | N7A | 179.7° | 179.7° |
| N3A | C4A | C5A | C6A | 0.1° | 0.5° |
| C4A | N3A | C2A | N1A | 0.5° | 0.2° |
| C4A | N3A | C2A | H21 | 179.5° | 179.7° |
| C5A | C4A | N3A | C2A | 0.3° | 0.5° |
| C4A | C5A | N7A | C6A | 179.5° | 179.8° |
| C4A | C5A | C6A | N1A | 0.1° | 0.2° |
| C4A | C5A | C6A | N6A | 179.7° | 179.8° |
| N3A | C2A | N1A | H21 | 180.0° | 179.9° |
| N3A | C2A | N1A | C6A | 0.5° | 0.0° |
| C1 | S1P | C2P | C3P | 59.0° | 180.0° |
| S1P | C1 | H1 | H2 | 119.0° | 120.1° |
| S1P | C1 | C2 | H3 | 88.1° | 60.0° |
| S1P | C1 | C2 | H4 | 31.6° | 60.0° |
| C1 | S1P | C2P | H45 | 179.0° | 60.0° |
| C1 | S1P | C2P | H46 | 61.0° | 60.1° |
| N7A | C5A | C6A | N1A | 179.6° | 180.0° |
| N7A | C5A | C6A | N6A | 0.2° | 0.0° |
| C5A | N7A | C8A | H18 | 179.5° | 180.0° |
| O9P | C9P | N8P | C7P | 0.4° | 4.4° |
| O9P | C9P | CAP | H35 | 37.6° | 128.2° |
| O9P | C9P | N8P | H37 | 179.6° | 175.6° |
| C5A | C6A | N1A | C2A | 0.2° | 0.0° |
| C5A | C6A | N1A | N6A | 179.8° | 180.0° |
| C5A | C6A | N6A | H19 | 179.8° | 0.0° |
| C5A | C6A | N6A | H20 | 59.8° | 179.9° |
| C9P | N8P | C7P | H37 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 66.0° | 180.0° |
| N8P | C9P | CAP | H35 | 141.6° | 51.9° |
| C9P | N8P | C7P | H38 | 53.8° | 60.0° |
| C9P | N8P | C7P | H39 | 174.1° | 60.0° |
| C2A | N1A | C6A | N6A | 179.9° | 180.0° |
| N4P | C3P | C2P | H43 | 119.5° | 120.1° |
| N4P | C3P | C2P | H44 | 119.5° | 120.0° |
| N4P | C3P | C2P | S1P | 96.3° | 180.0° |
| C3P | N4P | C5P | H42 | 180.0° | 180.0° |
| C3P | N4P | C5P | O5P | 0.9° | 0.0° |
| C3P | N4P | C5P | C6P | 179.7° | 180.0° |
| N4P | C3P | H43 | H44 | 121.4° | 120.1° |
| N4P | C3P | C2P | H45 | 23.7° | 60.0° |
| N4P | C3P | C2P | H46 | 143.7° | 60.0° |
| C3P | C2P | S1P | H45 | 120.0° | 120.1° |
| C3P | C2P | S1P | H46 | 120.0° | 119.9° |
| C2P | C3P | N4P | C5P | 98.8° | 180.0° |
| C2P | C3P | N4P | H42 | 81.2° | 0.0° |
| C2P | C3P | H43 | H44 | 121.4° | 119.9° |
| C3P | C2P | H45 | H46 | 119.9° | 119.9° |
| C2P | S1P | C1 | H1 | 72.3° | 60.1° |
| C2P | S1P | C1 | H2 | 47.0° | 60.0° |
| S1P | C2P | C3P | H43 | 144.2° | 59.9° |
| S1P | C2P | C3P | H44 | 23.3° | 60.0° |
| S1P | C2P | H45 | H46 | 119.9° | 120.0° |
| N4P | C5P | O5P | C6P | 179.4° | 180.0° |
| N4P | C5P | C6P | C7P | 153.3° | 180.0° |
| N4P | C5P | C6P | H40 | 86.3° | 60.0° |
| N4P | C5P | C6P | H41 | 33.0° | 60.1° |
| C5P | N4P | C3P | H43 | 20.8° | 60.0° |
| C5P | N4P | C3P | H44 | 141.7° | 60.1° |
| N8P | C7P | C6P | C5P | 69.7° | 180.0° |
| N8P | C7P | C6P | H38 | 119.9° | 119.9° |
| N8P | C7P | C6P | H39 | 119.9° | 120.0° |
| N8P | C7P | H38 | H39 | 120.4° | 120.0° |
| N8P | C7P | C6P | H40 | 169.9° | 60.0° |
| N8P | C7P | C6P | H41 | 50.6° | 60.0° |
| N1A | C6A | N6A | H19 | 0.0° | 180.0° |
| N1A | C6A | N6A | H20 | 120.0° | 0.1° |
| C6A | N1A | C2A | H21 | 179.5° | 180.0° |
| C6A | N6A | H19 | H20 | 120.0° | 179.9° |
| O5P | C5P | C6P | C7P | 27.3° | 0.0° |
| O5P | C5P | C6P | H40 | 93.1° | 120.0° |
| O5P | C5P | C6P | H41 | 147.6° | 120.0° |
| O5P | C5P | N4P | H42 | 179.2° | 180.0° |
| C5P | C6P | C7P | H40 | 120.4° | 120.0° |
| C5P | C6P | C7P | H41 | 120.3° | 120.0° |
| C5P | C6P | C7P | H38 | 170.4° | 60.0° |
| C5P | C6P | C7P | H39 | 50.2° | 60.0° |
| C5P | C6P | H40 | H41 | 118.9° | 120.0° |
| C6P | C5P | N4P | H42 | 0.2° | 0.0° |
| C6P | C7P | N8P | H37 | 114.0° | 0.0° |
| C6P | C7P | H38 | H39 | 120.4° | 120.1° |
| C7P | C6P | H40 | H41 | 118.9° | 120.0° |
| H1 | C1 | C2 | H3 | 151.6° | 59.9° |
| H1 | C1 | C2 | H4 | 88.7° | 179.9° |
| H2 | C1 | C2 | H3 | 32.3° | 180.0° |
| H2 | C1 | C2 | H4 | 151.9° | 60.0° |
| H3 | C2 | C3 | H5 | 160.3° | 65.0° |
| H4 | C2 | C3 | H5 | 80.0° | 175.0° |
| H5 | C3 | C4 | H6 | 61.5° | 180.0° |
| H5 | C3 | C4 | H7 | 178.5° | 60.0° |
| H5 | C3 | C4 | H8 | 58.5° | 60.0° |
| H5 | C3 | C5 | H9 | 61.5° | 180.0° |
| H5 | C3 | C5 | H10 | 58.5° | 60.0° |
| H5 | C3 | C5 | H11 | 178.5° | 60.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | H10 | H11 | 120.0° | 120.0° |
| H14 | C3B | C2B | H15 | 36.1° | 0.1° |
| H14 | C3B | C4B | H22 | 159.7° | 146.5° |
| H15 | C2B | O2B | H16 | 55.1° | 57.4° |
| H15 | C2B | C1B | H17 | 99.3° | 146.4° |
| H22 | C4B | C5B | H23 | 60.4° | 64.2° |
| H22 | C4B | C5B | H24 | 59.6° | 175.8° |
| H29 | CDP | H30 | H31 | 119.9° | 120.0° |
| H32 | CEP | H33 | H34 | 120.0° | 120.0° |
| H35 | CAP | OAP | H36 | 62.8° | 180.0° |
| H37 | N8P | C7P | H38 | 126.2° | 120.0° |
| H37 | N8P | C7P | H39 | 5.9° | 120.0° |
| H38 | C7P | C6P | H40 | 50.1° | 179.9° |
| H38 | C7P | C6P | H41 | 69.2° | 59.9° |
| H39 | C7P | C6P | H40 | 70.2° | 60.0° |
| H39 | C7P | C6P | H41 | 170.5° | 180.0° |
| H42 | N4P | C3P | H43 | 159.2° | 120.0° |
| H42 | N4P | C3P | H44 | 38.3° | 119.9° |
| H43 | C3P | C2P | H45 | 95.8° | 180.0° |
| H43 | C3P | C2P | H46 | 24.1° | 60.0° |
| H44 | C3P | C2P | H45 | 143.3° | 60.0° |
| H44 | C3P | C2P | H46 | 96.8° | 180.0° |
