0RQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1P | C | sing | 1.51Å | 1.50Å | |
| C1P | C2P | sing | 1.53Å | 1.53Å | |
| CH3 | C | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C2P | C3P | sing | 1.53Å | 1.53Å | |
| C3P | N4P | sing | 1.46Å | 1.48Å | |
| N4P | C5P | sing | 1.35Å | 1.44Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| C5P | C6P | sing | 1.51Å | 1.52Å | |
| C6P | C7P | sing | 1.53Å | 1.51Å | |
| C7P | N8P | sing | 1.46Å | 1.45Å | |
| N8P | C9P | sing | 1.35Å | 1.45Å | |
| OAP | CAP | sing | 1.43Å | 1.41Å | |
| O4A | P2A | doub | 1.48Å | 1.52Å | |
| C9P | O9P | doub | 1.21Å | 1.24Å | |
| C9P | CAP | sing | 1.51Å | 1.51Å | |
| O5A | P2A | sing | 1.61Å | 1.49Å | |
| CAP | CBP | sing | 1.53Å | 1.54Å | |
| P2A | O6A | sing | 1.61Å | 1.58Å | |
| P2A | O3A | sing | 1.61Å | 1.59Å | |
| O6A | CCP | sing | 1.43Å | 1.38Å | |
| CBP | CCP | sing | 1.53Å | 1.56Å | |
| CBP | CDP | sing | 1.53Å | 1.51Å | |
| CBP | CEP | sing | 1.53Å | 1.54Å | |
| O3A | P1A | sing | 1.61Å | 1.60Å | |
| O2A | P1A | doub | 1.48Å | 1.51Å | |
| P1A | O5B | sing | 1.61Å | 1.58Å | |
| P1A | O1A | sing | 1.61Å | 1.52Å | |
| C5B | O5B | sing | 1.43Å | 1.42Å | |
| C5B | C4B | sing | 1.53Å | 1.47Å | |
| O7A | P3B | doub | 1.48Å | 1.51Å | |
| C4B | O4B | sing | 1.44Å | 1.42Å | |
| C4B | C3B | sing | 1.54Å | 1.47Å | |
| O4B | C1B | sing | 1.44Å | 1.40Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C3B | C2B | sing | 1.55Å | 1.42Å | |
| P3B | O3B | sing | 1.61Å | 1.61Å | |
| P3B | O9A | sing | 1.61Å | 1.53Å | |
| P3B | O8A | sing | 1.61Å | 1.52Å | |
| C2B | C1B | sing | 1.55Å | 1.50Å | |
| C2B | O2B | sing | 1.43Å | 1.39Å | |
| C1B | N9A | sing | 1.47Å | 1.43Å | |
| C8A | N9A | sing | 1.36Å | 1.33Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| N7A | C5M | sing | 1.35Å | 1.35Å | Aromatic |
| C4A | C5M | doub | 1.41Å | 1.39Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.34Å | Aromatic |
| C5M | C6A | sing | 1.41Å | 1.39Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.44Å | |
| C6A | N1A | doub | 1.33Å | 1.34Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.34Å | Aromatic |
| O8A | H1 | sing | 0.97Å | 0.95Å | |
| O9A | H2 | sing | 0.97Å | 0.95Å | |
| O1A | H3 | sing | 0.97Å | 0.95Å | |
| O5A | H4 | sing | 0.97Å | 0.95Å | |
| CDP | H5 | sing | 1.09Å | 1.10Å | |
| CDP | H6 | sing | 1.09Å | 1.10Å | |
| CDP | H7 | sing | 1.09Å | 1.10Å | |
| CEP | H8 | sing | 1.09Å | 1.10Å | |
| CEP | H9 | sing | 1.09Å | 1.10Å | |
| CEP | H10 | sing | 1.09Å | 1.10Å | |
| CCP | H11 | sing | 1.09Å | 1.10Å | |
| CCP | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| C1B | H14 | sing | 1.09Å | 1.10Å | |
| C2B | H15 | sing | 1.09Å | 1.10Å | |
| C3B | H16 | sing | 1.09Å | 1.10Å | |
| C5B | H17 | sing | 1.09Å | 1.10Å | |
| C5B | H18 | sing | 1.09Å | 1.10Å | |
| C2P | H19 | sing | 1.09Å | 1.10Å | |
| C2P | H20 | sing | 1.09Å | 1.10Å | |
| C3P | H21 | sing | 1.09Å | 1.10Å | |
| C7P | H22 | sing | 1.09Å | 1.10Å | |
| C7P | H23 | sing | 1.09Å | 1.10Å | |
| C6P | H24 | sing | 1.09Å | 1.10Å | |
| C6P | H25 | sing | 1.09Å | 1.10Å | |
| C4B | H26 | sing | 1.09Å | 1.10Å | |
| OAP | H27 | sing | 0.97Å | 0.95Å | |
| N8P | H28 | sing | 0.97Å | 1.00Å | |
| O2B | H29 | sing | 0.97Å | 0.95Å | |
| C2A | H30 | sing | 1.08Å | 1.08Å | |
| C8A | H31 | sing | 1.08Å | 1.08Å | |
| N6A | H32 | sing | 0.97Å | 1.00Å | |
| N6A | H33 | sing | 0.97Å | 1.00Å | |
| C1P | H34 | sing | 1.09Å | 1.10Å | |
| C1P | H35 | sing | 1.09Å | 1.10Å | |
| CH3 | H36 | sing | 1.09Å | 1.10Å | |
| CH3 | H37 | sing | 1.09Å | 1.10Å | |
| CH3 | H38 | sing | 1.09Å | 1.10Å | |
| C3P | H39 | sing | 1.09Å | 1.10Å | |
| N4P | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1P | C2P | 108.7° | 109.5° |
| C1P | C | CH3 | 120.7° | 120.0° |
| C1P | C | O | 118.1° | 120.0° |
| C | C1P | H34 | 109.7° | 109.5° |
| C | C1P | H35 | 109.7° | 109.5° |
| C1P | C2P | C3P | 115.3° | 109.5° |
| C1P | C2P | H19 | 108.0° | 109.5° |
| C1P | C2P | H20 | 108.0° | 109.5° |
| C2P | C1P | H34 | 109.6° | 109.5° |
| C2P | C1P | H35 | 109.7° | 109.5° |
| CH3 | C | O | 121.2° | 120.0° |
| C | CH3 | H36 | 109.5° | 109.4° |
| C | CH3 | H37 | 109.5° | 109.5° |
| C | CH3 | H38 | 109.5° | 109.5° |
| C2P | C3P | N4P | 116.6° | 109.5° |
| C3P | C2P | H19 | 108.0° | 109.5° |
| C3P | C2P | H20 | 108.0° | 109.5° |
| C2P | C3P | H21 | 107.6° | 109.5° |
| C2P | C3P | H39 | 107.7° | 109.5° |
| C3P | N4P | C5P | 123.7° | 120.0° |
| N4P | C3P | H21 | 107.7° | 109.5° |
| N4P | C3P | H39 | 107.7° | 109.5° |
| C3P | N4P | H40 | 118.2° | 120.0° |
| N4P | C5P | O5P | 122.8° | 120.0° |
| N4P | C5P | C6P | 116.6° | 120.0° |
| C5P | N4P | H40 | 118.2° | 120.0° |
| O5P | C5P | C6P | 120.7° | 120.0° |
| C5P | C6P | C7P | 110.9° | 109.5° |
| C5P | C6P | H24 | 109.1° | 109.5° |
| C5P | C6P | H25 | 109.1° | 109.5° |
| C6P | C7P | N8P | 113.6° | 109.5° |
| C6P | C7P | H22 | 108.4° | 109.5° |
| C6P | C7P | H23 | 108.4° | 109.4° |
| C7P | C6P | H24 | 109.1° | 109.4° |
| C7P | C6P | H25 | 109.1° | 109.5° |
| C7P | N8P | C9P | 119.5° | 120.0° |
| N8P | C7P | H22 | 108.4° | 109.5° |
| N8P | C7P | H23 | 108.4° | 109.5° |
| C7P | N8P | H28 | 120.2° | 120.0° |
| N8P | C9P | O9P | 121.6° | 120.0° |
| N8P | C9P | CAP | 117.1° | 120.0° |
| C9P | N8P | H28 | 120.2° | 119.9° |
| OAP | CAP | C9P | 106.6° | 109.5° |
| OAP | CAP | CBP | 109.9° | 109.5° |
| OAP | CAP | H13 | 110.3° | 109.5° |
| CAP | OAP | H27 | 109.5° | 114.0° |
| O4A | P2A | O5A | 111.4° | 109.5° |
| O4A | P2A | O6A | 106.4° | 109.5° |
| O4A | P2A | O3A | 112.5° | 109.5° |
| O9P | C9P | CAP | 121.2° | 120.0° |
| C9P | CAP | CBP | 112.6° | 109.5° |
| C9P | CAP | H13 | 108.9° | 109.4° |
| O5A | P2A | O6A | 113.0° | 109.4° |
| O5A | P2A | O3A | 102.0° | 109.4° |
| P2A | O5A | H4 | 109.5° | 114.0° |
| CAP | CBP | CCP | 106.4° | 109.5° |
| CAP | CBP | CDP | 109.2° | 109.5° |
| CAP | CBP | CEP | 111.3° | 109.4° |
| CBP | CAP | H13 | 108.6° | 109.5° |
| O6A | P2A | O3A | 111.5° | 109.5° |
| P2A | O6A | CCP | 122.5° | 123.1° |
| P2A | O3A | P1A | 131.7° | 134.0° |
| O6A | CCP | CBP | 111.6° | 109.5° |
| O6A | CCP | H11 | 109.0° | 109.5° |
| O6A | CCP | H12 | 108.9° | 109.4° |
| CCP | CBP | CDP | 109.9° | 109.5° |
| CCP | CBP | CEP | 110.9° | 109.5° |
| CBP | CCP | H11 | 108.9° | 109.5° |
| CBP | CCP | H12 | 108.9° | 109.5° |
| CDP | CBP | CEP | 109.1° | 109.5° |
| CBP | CDP | H5 | 109.5° | 109.5° |
| CBP | CDP | H6 | 109.5° | 109.5° |
| CBP | CDP | H7 | 109.5° | 109.4° |
| CBP | CEP | H8 | 109.5° | 109.5° |
| CBP | CEP | H9 | 109.5° | 109.4° |
| CBP | CEP | H10 | 109.5° | 109.4° |
| O3A | P1A | O2A | 111.2° | 109.5° |
| O3A | P1A | O5B | 114.3° | 109.5° |
| O3A | P1A | O1A | 100.2° | 109.5° |
| O2A | P1A | O5B | 108.3° | 109.5° |
| O2A | P1A | O1A | 112.5° | 109.4° |
| O5B | P1A | O1A | 110.3° | 109.5° |
| P1A | O5B | C5B | 124.0° | 123.0° |
| P1A | O1A | H3 | 109.5° | 114.0° |
| O5B | C5B | C4B | 113.9° | 109.5° |
| O5B | C5B | H17 | 108.3° | 109.5° |
| O5B | C5B | H18 | 108.4° | 109.4° |
| C5B | C4B | O4B | 110.8° | 109.8° |
| C5B | C4B | C3B | 108.0° | 109.9° |
| C4B | C5B | H17 | 108.4° | 109.5° |
| C4B | C5B | H18 | 108.3° | 109.4° |
| C5B | C4B | H26 | 110.6° | 109.9° |
| O7A | P3B | O3B | 110.6° | 109.5° |
| O7A | P3B | O9A | 108.2° | 109.5° |
| O7A | P3B | O8A | 109.6° | 109.4° |
| O4B | C4B | C3B | 105.4° | 107.3° |
| C4B | O4B | C1B | 108.6° | 107.0° |
| O4B | C4B | H26 | 111.3° | 109.9° |
| C4B | C3B | O3B | 105.6° | 110.4° |
| C4B | C3B | C2B | 105.4° | 104.2° |
| C4B | C3B | H16 | 112.6° | 110.6° |
| C3B | C4B | H26 | 110.6° | 110.1° |
| O4B | C1B | C2B | 105.2° | 103.5° |
| O4B | C1B | N9A | 113.8° | 110.6° |
| O4B | C1B | H14 | 109.9° | 110.6° |
| O3B | C3B | C2B | 105.8° | 110.5° |
| C3B | O3B | P3B | 122.9° | 123.0° |
| O3B | C3B | H16 | 113.4° | 110.5° |
| C3B | C2B | C1B | 101.6° | 102.1° |
| C3B | C2B | O2B | 110.6° | 110.9° |
| C3B | C2B | H15 | 111.7° | 110.9° |
| C2B | C3B | H16 | 113.4° | 110.5° |
| O3B | P3B | O9A | 110.3° | 109.5° |
| O3B | P3B | O8A | 104.5° | 109.5° |
| O9A | P3B | O8A | 113.7° | 109.5° |
| P3B | O9A | H2 | 109.5° | 113.9° |
| P3B | O8A | H1 | 109.5° | 114.1° |
| C1B | C2B | O2B | 109.8° | 110.9° |
| C2B | C1B | N9A | 109.7° | 110.7° |
| C2B | C1B | H14 | 108.6° | 110.8° |
| C1B | C2B | H15 | 110.5° | 110.9° |
| O2B | C2B | H15 | 112.1° | 110.8° |
| C2B | O2B | H29 | 109.5° | 114.0° |
| C1B | N9A | C8A | 127.5° | 126.3° |
| C1B | N9A | C4A | 124.1° | 126.3° |
| N9A | C1B | H14 | 109.5° | 110.5° |
| N9A | C8A | N7A | 109.2° | 110.0° |
| C8A | N9A | C4A | 108.4° | 107.4° |
| N9A | C8A | H31 | 125.4° | 125.0° |
| C8A | N7A | C5M | 108.0° | 109.5° |
| N7A | C8A | H31 | 125.4° | 125.0° |
| N9A | C4A | C5M | 107.6° | 106.0° |
| N9A | C4A | N3A | 133.4° | 134.9° |
| N7A | C5M | C4A | 106.9° | 107.1° |
| N7A | C5M | C6A | 134.1° | 134.7° |
| C5M | C4A | N3A | 119.0° | 119.1° |
| C4A | C5M | C6A | 119.0° | 118.2° |
| C4A | N3A | C2A | 120.6° | 120.6° |
| C5M | C6A | N6A | 121.0° | 120.8° |
| C5M | C6A | N1A | 119.8° | 118.4° |
| N3A | C2A | N1A | 122.0° | 122.5° |
| N3A | C2A | H30 | 119.0° | 118.7° |
| N6A | C6A | N1A | 119.2° | 120.8° |
| C6A | N6A | H32 | 109.5° | 120.0° |
| C6A | N6A | H33 | 109.5° | 120.0° |
| C6A | N1A | C2A | 119.5° | 121.2° |
| N1A | C2A | H30 | 119.0° | 118.8° |
| H5 | CDP | H6 | 109.5° | 109.5° |
| H5 | CDP | H7 | 109.5° | 109.4° |
| H6 | CDP | H7 | 109.5° | 109.5° |
| H8 | CEP | H9 | 109.5° | 109.5° |
| H8 | CEP | H10 | 109.4° | 109.5° |
| H9 | CEP | H10 | 109.5° | 109.5° |
| H11 | CCP | H12 | 109.5° | 109.5° |
| H17 | C5B | H18 | 109.5° | 109.5° |
| H19 | C2P | H20 | 109.5° | 109.4° |
| H21 | C3P | H39 | 109.5° | 109.4° |
| H22 | C7P | H23 | 109.5° | 109.5° |
| H24 | C6P | H25 | 109.5° | 109.5° |
| H32 | N6A | H33 | 109.5° | 120.0° |
| H34 | C1P | H35 | 109.5° | 109.4° |
| H36 | CH3 | H37 | 109.5° | 109.5° |
| H36 | CH3 | H38 | 109.4° | 109.5° |
| H37 | CH3 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1P | C2P | H34 | 119.9° | 120.0° |
| C | C1P | C2P | H35 | 119.9° | 120.0° |
| C1P | C | CH3 | O | 178.3° | 180.0° |
| C | C1P | C2P | C3P | 68.8° | 180.0° |
| C | C1P | C2P | H19 | 52.1° | 60.0° |
| C | C1P | C2P | H20 | 170.4° | 60.0° |
| C | C1P | H34 | H35 | 120.3° | 120.0° |
| C1P | C | CH3 | H36 | 178.3° | 90.0° |
| C1P | C | CH3 | H37 | 58.3° | 150.0° |
| C1P | C | CH3 | H38 | 61.7° | 29.9° |
| C2P | C1P | C | CH3 | 161.0° | 180.0° |
| C2P | C1P | C | O | 17.4° | 0.0° |
| C1P | C2P | C3P | H19 | 120.9° | 120.1° |
| C1P | C2P | C3P | H20 | 120.9° | 120.0° |
| C1P | C2P | C3P | N4P | 57.9° | 180.0° |
| C1P | C2P | H19 | H20 | 117.4° | 120.0° |
| C1P | C2P | C3P | H21 | 179.0° | 60.0° |
| C2P | C1P | H34 | H35 | 120.3° | 120.0° |
| C1P | C2P | C3P | H39 | 63.1° | 60.0° |
| CH3 | C | C1P | H34 | 79.1° | 59.9° |
| CH3 | C | C1P | H35 | 41.1° | 60.0° |
| C | CH3 | H36 | H37 | 120.0° | 120.0° |
| C | CH3 | H36 | H38 | 120.0° | 120.0° |
| C | CH3 | H37 | H38 | 120.0° | 120.1° |
| O | C | C1P | H34 | 102.5° | 120.0° |
| O | C | C1P | H35 | 137.3° | 120.0° |
| O | C | CH3 | H36 | 0.0° | 90.0° |
| O | C | CH3 | H37 | 120.0° | 30.0° |
| O | C | CH3 | H38 | 120.0° | 150.0° |
| C2P | C3P | N4P | H21 | 121.0° | 120.0° |
| C2P | C3P | N4P | H39 | 121.0° | 120.0° |
| C2P | C3P | N4P | C5P | 168.0° | 179.9° |
| C3P | C2P | H19 | H20 | 117.3° | 119.9° |
| C2P | C3P | H21 | H39 | 116.8° | 120.0° |
| C3P | C2P | C1P | H34 | 171.3° | 60.0° |
| C3P | C2P | C1P | H35 | 51.1° | 60.0° |
| C2P | C3P | N4P | H40 | 12.0° | 0.0° |
| C3P | N4P | C5P | H40 | 180.0° | 179.9° |
| C3P | N4P | C5P | O5P | 0.5° | 0.1° |
| C3P | N4P | C5P | C6P | 179.4° | 180.0° |
| N4P | C3P | C2P | H19 | 62.9° | 60.0° |
| N4P | C3P | C2P | H20 | 178.8° | 60.0° |
| N4P | C3P | H21 | H39 | 116.8° | 120.0° |
| N4P | C5P | O5P | C6P | 179.9° | 179.9° |
| N4P | C5P | C6P | C7P | 178.7° | 180.0° |
| C5P | N4P | C3P | H21 | 47.0° | 59.9° |
| N4P | C5P | C6P | H24 | 61.1° | 60.1° |
| N4P | C5P | C6P | H25 | 58.5° | 59.9° |
| C5P | N4P | C3P | H39 | 71.0° | 60.0° |
| O5P | C5P | C6P | C7P | 1.2° | 0.1° |
| O5P | C5P | C6P | H24 | 119.0° | 120.0° |
| O5P | C5P | C6P | H25 | 121.4° | 119.9° |
| O5P | C5P | N4P | H40 | 179.5° | 180.0° |
| C5P | C6P | C7P | H24 | 120.2° | 119.9° |
| C5P | C6P | C7P | H25 | 120.2° | 120.0° |
| C5P | C6P | C7P | N8P | 56.0° | 180.0° |
| C5P | C6P | C7P | H22 | 176.6° | 60.0° |
| C5P | C6P | C7P | H23 | 64.6° | 60.1° |
| C5P | C6P | H24 | H25 | 119.3° | 120.0° |
| C6P | C5P | N4P | H40 | 0.6° | 0.1° |
| C6P | C7P | N8P | H22 | 120.6° | 120.0° |
| C6P | C7P | N8P | H23 | 120.6° | 119.9° |
| C6P | C7P | N8P | C9P | 104.1° | 180.0° |
| C6P | C7P | H22 | H23 | 118.1° | 120.0° |
| C7P | C6P | H24 | H25 | 119.3° | 120.0° |
| C6P | C7P | N8P | H28 | 75.9° | 0.1° |
| C7P | N8P | C9P | H28 | 180.0° | 179.9° |
| C7P | N8P | C9P | O9P | 1.2° | 4.5° |
| C7P | N8P | C9P | CAP | 179.5° | 175.5° |
| N8P | C7P | H22 | H23 | 118.1° | 120.0° |
| N8P | C7P | C6P | H24 | 64.2° | 60.0° |
| N8P | C7P | C6P | H25 | 176.3° | 60.0° |
| N8P | C9P | CAP | OAP | 14.6° | 171.8° |
| N8P | C9P | O9P | CAP | 178.2° | 180.0° |
| N8P | C9P | CAP | CBP | 105.9° | 68.2° |
| N8P | C9P | CAP | H13 | 133.6° | 51.9° |
| C9P | N8P | C7P | H22 | 16.5° | 60.0° |
| C9P | N8P | C7P | H23 | 135.3° | 60.1° |
| OAP | CAP | C9P | O9P | 167.1° | 8.2° |
| OAP | CAP | C9P | CBP | 120.5° | 120.0° |
| OAP | CAP | C9P | H13 | 119.0° | 120.0° |
| OAP | CAP | CBP | H13 | 120.7° | 120.0° |
| OAP | CAP | CBP | CCP | 56.0° | 65.7° |
| OAP | CAP | CBP | CDP | 174.7° | 174.2° |
| OAP | CAP | CBP | CEP | 64.9° | 54.3° |
| O4A | P2A | O5A | O6A | 119.8° | 120.0° |
| O4A | P2A | O5A | O3A | 120.3° | 120.0° |
| O4A | P2A | O6A | O3A | 123.1° | 120.1° |
| O4A | P2A | O6A | CCP | 169.4° | 55.0° |
| O4A | P2A | O3A | P1A | 50.5° | 39.9° |
| O4A | P2A | O5A | H4 | 0.0° | 180.0° |
| O9P | C9P | CAP | CBP | 72.3° | 111.9° |
| O9P | C9P | CAP | H13 | 48.1° | 128.1° |
| O9P | C9P | N8P | H28 | 178.8° | 175.6° |
| C9P | CAP | CBP | H13 | 120.6° | 120.0° |
| C9P | CAP | CBP | CCP | 174.7° | 54.3° |
| C9P | CAP | CBP | CDP | 66.7° | 65.7° |
| C9P | CAP | CBP | CEP | 53.8° | 174.3° |
| C9P | CAP | OAP | H27 | 180.0° | 60.0° |
| CAP | C9P | N8P | H28 | 0.5° | 4.4° |
| O5A | P2A | O6A | O3A | 114.3° | 119.9° |
| O5A | P2A | O6A | CCP | 46.8° | 65.0° |
| O5A | P2A | O3A | P1A | 170.0° | 80.1° |
| CAP | CBP | CCP | O6A | 61.4° | 180.0° |
| CAP | CBP | CCP | CDP | 118.1° | 120.0° |
| CAP | CBP | CCP | CEP | 121.1° | 120.0° |
| CAP | CBP | CDP | CEP | 121.8° | 120.0° |
| CAP | CBP | CDP | H5 | 180.0° | 66.4° |
| CAP | CBP | CDP | H6 | 60.0° | 173.6° |
| CAP | CBP | CDP | H7 | 60.0° | 53.5° |
| CAP | CBP | CEP | H8 | 180.0° | 63.4° |
| CAP | CBP | CEP | H9 | 60.0° | 176.6° |
| CAP | CBP | CEP | H10 | 60.0° | 56.6° |
| CAP | CBP | CCP | H11 | 59.0° | 60.0° |
| CAP | CBP | CCP | H12 | 178.3° | 60.0° |
| CBP | CAP | OAP | H27 | 57.7° | 60.0° |
| P2A | O6A | CCP | CBP | 157.6° | 180.0° |
| O6A | P2A | O3A | P1A | 69.0° | 160.0° |
| O6A | P2A | O5A | H4 | 119.9° | 60.0° |
| P2A | O6A | CCP | H11 | 37.3° | 59.9° |
| P2A | O6A | CCP | H12 | 82.0° | 60.0° |
| O3A | P2A | O6A | CCP | 67.5° | 175.0° |
| P2A | O3A | P1A | O2A | 66.1° | 44.9° |
| P2A | O3A | P1A | O5B | 56.9° | 164.9° |
| P2A | O3A | P1A | O1A | 174.8° | 75.1° |
| O3A | P2A | O5A | H4 | 120.3° | 59.9° |
| O6A | CCP | CBP | H11 | 120.3° | 120.0° |
| O6A | CCP | CBP | H12 | 120.3° | 120.0° |
| O6A | CCP | CBP | CDP | 56.8° | 60.0° |
| O6A | CCP | CBP | CEP | 177.5° | 60.0° |
| O6A | CCP | H11 | H12 | 119.0° | 119.9° |
| CCP | CBP | CDP | CEP | 121.8° | 120.0° |
| CCP | CBP | CDP | H5 | 63.6° | 53.6° |
| CCP | CBP | CDP | H6 | 56.4° | 66.4° |
| CCP | CBP | CDP | H7 | 176.4° | 173.6° |
| CCP | CBP | CEP | H8 | 61.8° | 176.6° |
| CCP | CBP | CEP | H9 | 178.2° | 56.6° |
| CCP | CBP | CEP | H10 | 58.2° | 63.4° |
| CBP | CCP | H11 | H12 | 119.0° | 120.0° |
| CCP | CBP | CAP | H13 | 64.7° | 174.3° |
| CBP | CDP | H5 | H6 | 120.0° | 120.0° |
| CBP | CDP | H5 | H7 | 120.0° | 119.9° |
| CBP | CDP | H6 | H7 | 120.0° | 120.0° |
| CDP | CBP | CEP | H8 | 59.5° | 56.6° |
| CDP | CBP | CEP | H9 | 60.6° | 63.4° |
| CDP | CBP | CEP | H10 | 179.4° | 176.6° |
| CDP | CBP | CCP | H11 | 177.1° | 180.0° |
| CDP | CBP | CCP | H12 | 63.6° | 60.0° |
| CDP | CBP | CAP | H13 | 53.9° | 54.2° |
| CEP | CBP | CDP | H5 | 58.2° | 173.6° |
| CEP | CBP | CDP | H6 | 178.2° | 53.6° |
| CEP | CBP | CDP | H7 | 61.8° | 66.4° |
| CBP | CEP | H8 | H9 | 120.0° | 120.0° |
| CBP | CEP | H8 | H10 | 120.0° | 120.0° |
| CBP | CEP | H9 | H10 | 120.0° | 119.9° |
| CEP | CBP | CCP | H11 | 62.2° | 60.0° |
| CEP | CBP | CCP | H12 | 57.2° | 180.0° |
| CEP | CBP | CAP | H13 | 174.4° | 65.7° |
| O3A | P1A | O2A | O5B | 126.3° | 120.0° |
| O3A | P1A | O2A | O1A | 111.4° | 120.0° |
| O3A | P1A | O5B | O1A | 111.9° | 120.0° |
| O3A | P1A | O5B | C5B | 82.5° | 175.1° |
| O3A | P1A | O1A | H3 | 118.2° | 60.0° |
| O2A | P1A | O5B | O1A | 123.5° | 120.0° |
| O2A | P1A | O5B | C5B | 42.0° | 55.0° |
| O2A | P1A | O1A | H3 | 0.0° | 180.0° |
| P1A | O5B | C5B | C4B | 157.8° | 180.0° |
| O5B | P1A | O1A | H3 | 121.0° | 60.0° |
| P1A | O5B | C5B | H17 | 37.1° | 59.9° |
| P1A | O5B | C5B | H18 | 81.6° | 60.1° |
| O1A | P1A | O5B | C5B | 165.6° | 64.9° |
| O5B | C5B | C4B | H17 | 120.6° | 120.1° |
| O5B | C5B | C4B | H18 | 120.7° | 119.9° |
| O5B | C5B | C4B | O4B | 52.4° | 66.5° |
| O5B | C5B | C4B | C3B | 62.5° | 175.7° |
| O5B | C5B | H17 | H18 | 118.0° | 120.0° |
| O5B | C5B | C4B | H26 | 176.4° | 54.5° |
| C5B | C4B | O4B | C3B | 116.6° | 119.4° |
| C5B | C4B | O4B | H26 | 123.5° | 121.0° |
| C5B | C4B | C3B | H26 | 121.1° | 121.1° |
| C5B | C4B | O4B | C1B | 113.2° | 145.9° |
| C5B | C4B | C3B | O3B | 155.7° | 119.9° |
| C5B | C4B | C3B | C2B | 92.6° | 121.4° |
| C5B | C4B | C3B | H16 | 31.4° | 2.7° |
| C4B | C5B | H17 | H18 | 118.0° | 120.0° |
| O7A | P3B | O3B | C3B | 71.8° | 55.1° |
| O7A | P3B | O3B | O9A | 119.7° | 120.0° |
| O7A | P3B | O3B | O8A | 117.8° | 119.9° |
| O7A | P3B | O9A | O8A | 122.0° | 120.0° |
| O7A | P3B | O8A | H1 | 0.0° | 60.0° |
| O7A | P3B | O9A | H2 | 0.0° | 180.0° |
| O4B | C4B | C3B | H26 | 120.5° | 119.6° |
| O4B | C4B | C3B | O3B | 85.9° | 120.7° |
| O4B | C4B | C3B | C2B | 25.8° | 2.1° |
| C4B | O4B | C1B | C2B | 19.1° | 40.1° |
| C4B | O4B | C1B | N9A | 139.2° | 158.6° |
| C4B | O4B | C1B | H14 | 97.6° | 78.6° |
| O4B | C4B | C3B | H16 | 149.8° | 116.7° |
| O4B | C4B | C5B | H17 | 173.1° | 53.6° |
| O4B | C4B | C5B | H18 | 68.2° | 173.5° |
| C3B | C4B | O4B | C1B | 3.3° | 26.6° |
| C4B | C3B | O3B | C2B | 111.4° | 114.7° |
| C4B | C3B | O3B | H16 | 123.7° | 122.6° |
| C4B | C3B | C2B | H16 | 123.5° | 118.8° |
| C4B | C3B | O3B | P3B | 121.0° | 123.8° |
| C4B | C3B | C2B | C1B | 36.3° | 20.8° |
| C4B | C3B | C2B | O2B | 152.8° | 139.1° |
| C4B | C3B | C2B | H15 | 81.6° | 97.4° |
| C3B | C4B | C5B | H17 | 58.1° | 64.2° |
| C3B | C4B | C5B | H18 | 176.8° | 55.8° |
| O4B | C1B | C2B | C3B | 34.4° | 37.0° |
| O4B | C1B | C2B | N9A | 122.8° | 118.5° |
| O4B | C1B | C2B | H14 | 117.6° | 118.6° |
| O4B | C1B | C2B | O2B | 151.5° | 155.2° |
| O4B | C1B | N9A | H14 | 123.4° | 122.8° |
| O4B | C1B | N9A | C8A | 49.9° | 23.6° |
| O4B | C1B | N9A | C4A | 129.9° | 156.5° |
| O4B | C1B | C2B | H15 | 84.3° | 81.2° |
| C1B | O4B | C4B | H26 | 123.3° | 93.1° |
| O3B | C3B | C2B | H16 | 124.9° | 122.6° |
| C3B | O3B | P3B | O9A | 47.9° | 64.9° |
| C3B | O3B | P3B | O8A | 170.4° | 175.0° |
| O3B | C3B | C2B | C1B | 75.3° | 97.7° |
| O3B | C3B | C2B | O2B | 41.3° | 20.5° |
| O3B | C3B | C2B | H15 | 166.9° | 144.0° |
| O3B | C3B | C4B | H26 | 34.6° | 1.2° |
| C2B | C3B | O3B | P3B | 127.6° | 121.5° |
| C3B | C2B | C1B | O2B | 117.1° | 118.2° |
| C3B | C2B | C1B | H15 | 118.7° | 118.2° |
| C3B | C2B | O2B | H15 | 125.4° | 123.6° |
| C3B | C2B | C1B | N9A | 157.2° | 155.5° |
| C3B | C2B | C1B | H14 | 83.1° | 81.6° |
| C2B | C3B | C4B | H26 | 146.3° | 117.5° |
| C3B | C2B | O2B | H29 | 180.0° | 174.2° |
| O3B | P3B | O9A | O8A | 117.0° | 120.1° |
| O3B | P3B | O8A | H1 | 118.4° | 180.0° |
| O3B | P3B | O9A | H2 | 121.1° | 60.1° |
| P3B | O3B | C3B | H16 | 2.7° | 1.2° |
| O9A | P3B | O8A | H1 | 121.2° | 59.9° |
| O8A | P3B | O9A | H2 | 121.9° | 60.0° |
| C1B | C2B | O2B | H15 | 123.3° | 123.7° |
| C2B | C1B | N9A | H14 | 119.1° | 123.1° |
| C2B | C1B | N9A | C8A | 67.6° | 90.5° |
| C2B | C1B | N9A | C4A | 112.5° | 89.4° |
| C1B | C2B | C3B | H16 | 159.8° | 139.6° |
| C1B | C2B | O2B | H29 | 68.7° | 61.5° |
| O2B | C2B | C1B | N9A | 85.7° | 86.3° |
| O2B | C2B | C1B | H14 | 33.9° | 36.7° |
| O2B | C2B | C3B | H16 | 83.7° | 102.1° |
| C1B | N9A | C8A | C4A | 179.9° | 179.9° |
| C1B | N9A | C8A | N7A | 179.8° | 179.7° |
| C1B | N9A | C4A | C5M | 179.7° | 180.0° |
| C1B | N9A | C4A | N3A | 0.8° | 0.9° |
| N9A | C1B | C2B | H15 | 38.6° | 37.3° |
| C1B | N9A | C8A | H31 | 0.2° | 0.0° |
| N9A | C8A | N7A | H31 | 180.0° | 179.7° |
| N9A | C8A | N7A | C5M | 0.1° | 0.6° |
| C8A | N9A | C4A | C5M | 0.2° | 0.0° |
| C8A | N9A | C4A | N3A | 179.3° | 179.1° |
| C8A | N9A | C1B | H14 | 173.4° | 146.4° |
| N7A | C8A | N9A | C4A | 0.0° | 0.4° |
| C8A | N7A | C5M | C4A | 0.2° | 0.6° |
| C8A | N7A | C5M | C6A | 178.9° | 179.9° |
| N9A | C4A | C5M | N7A | 0.2° | 0.3° |
| N9A | C4A | C5M | N3A | 179.6° | 179.3° |
| N9A | C4A | C5M | C6A | 179.2° | 180.0° |
| N9A | C4A | N3A | C2A | 179.5° | 179.5° |
| C4A | N9A | C1B | H14 | 6.5° | 33.7° |
| C4A | N9A | C8A | H31 | 180.0° | 179.9° |
| N7A | C5M | C4A | C6A | 178.9° | 179.6° |
| N7A | C5M | C4A | N3A | 179.3° | 179.6° |
| N7A | C5M | C6A | N6A | 1.2° | 0.1° |
| N7A | C5M | C6A | N1A | 179.0° | 180.0° |
| C5M | N7A | C8A | H31 | 179.9° | 179.7° |
| C5M | C4A | N3A | C2A | 0.0° | 0.5° |
| C4A | C5M | C6A | N6A | 179.8° | 179.6° |
| C4A | C5M | C6A | N1A | 0.4° | 0.5° |
| N3A | C4A | C5M | C6A | 0.4° | 0.8° |
| C4A | N3A | C2A | N1A | 0.5° | 0.0° |
| C4A | N3A | C2A | H30 | 179.5° | 179.7° |
| C5M | C6A | N6A | N1A | 179.8° | 179.9° |
| C5M | C6A | N1A | C2A | 0.1° | 0.0° |
| C5M | C6A | N6A | H32 | 179.8° | 180.0° |
| C5M | C6A | N6A | H33 | 59.8° | 0.1° |
| N3A | C2A | N1A | C6A | 0.5° | 0.3° |
| N3A | C2A | N1A | H30 | 180.0° | 179.7° |
| N6A | C6A | N1A | C2A | 179.8° | 179.9° |
| C6A | N6A | H32 | H33 | 120.0° | 179.9° |
| C6A | N1A | C2A | H30 | 179.5° | 180.0° |
| N1A | C6A | N6A | H32 | 0.0° | 0.1° |
| N1A | C6A | N6A | H33 | 120.0° | 180.0° |
| H5 | CDP | H6 | H7 | 120.0° | 120.0° |
| H8 | CEP | H9 | H10 | 120.0° | 120.1° |
| H13 | CAP | OAP | H27 | 62.0° | 179.9° |
| H14 | C1B | C2B | H15 | 158.2° | 160.2° |
| H15 | C2B | C3B | H16 | 41.9° | 21.4° |
| H15 | C2B | O2B | H29 | 54.6° | 62.2° |
| H16 | C3B | C4B | H26 | 89.7° | 123.7° |
| H17 | C5B | C4B | H26 | 63.0° | 174.6° |
| H18 | C5B | C4B | H26 | 55.7° | 65.4° |
| H19 | C2P | C3P | H21 | 58.1° | 60.1° |
| H19 | C2P | C1P | H34 | 67.8° | 180.0° |
| H19 | C2P | C1P | H35 | 172.0° | 60.0° |
| H19 | C2P | C3P | H39 | 176.1° | 180.0° |
| H20 | C2P | C3P | H21 | 60.2° | 180.0° |
| H20 | C2P | C1P | H34 | 50.5° | 60.0° |
| H20 | C2P | C1P | H35 | 69.7° | 180.0° |
| H20 | C2P | C3P | H39 | 57.8° | 60.1° |
| H21 | C3P | N4P | H40 | 133.0° | 120.0° |
| H22 | C7P | C6P | H24 | 56.4° | 60.0° |
| H22 | C7P | C6P | H25 | 63.1° | 180.0° |
| H22 | C7P | N8P | H28 | 163.5° | 120.0° |
| H23 | C7P | C6P | H24 | 175.2° | 180.0° |
| H23 | C7P | C6P | H25 | 55.6° | 60.0° |
| H23 | C7P | N8P | H28 | 44.7° | 120.0° |
| H36 | CH3 | H37 | H38 | 120.0° | 120.0° |
| H39 | C3P | N4P | H40 | 109.0° | 120.1° |
