UTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4A | P2A | doub | 1.48Å | 1.53Å | |
| O2A | P1A | doub | 1.48Å | 1.58Å | |
| O3A | P2A | sing | 1.61Å | 1.61Å | |
| O3A | P1A | sing | 1.61Å | 1.65Å | |
| O5A | P2A | sing | 1.61Å | 1.47Å | |
| P2A | O6A | sing | 1.61Å | 1.61Å | |
| P1A | O1A | sing | 1.61Å | 1.48Å | |
| P1A | O5B | sing | 1.61Å | 1.64Å | |
| O9A | P3B | doub | 1.48Å | 1.53Å | |
| O6A | CCP | sing | 1.43Å | 1.44Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5B | C4B | sing | 1.53Å | 1.50Å | |
| CCP | CBP | sing | 1.53Å | 1.53Å | |
| O8A | P3B | sing | 1.61Å | 1.55Å | |
| P3B | O3B | sing | 1.61Å | 1.67Å | |
| P3B | O7A | sing | 1.61Å | 1.54Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | C4B | sing | 1.54Å | 1.51Å | |
| C3B | O3B | sing | 1.43Å | 1.46Å | |
| OAP | CAP | sing | 1.43Å | 1.48Å | |
| C2B | O2B | sing | 1.43Å | 1.40Å | |
| C2B | C1B | sing | 1.55Å | 1.53Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| CAP | CBP | sing | 1.53Å | 1.55Å | |
| CAP | C9P | sing | 1.51Å | 1.53Å | |
| CBP | CDP | sing | 1.53Å | 1.52Å | |
| CBP | CEP | sing | 1.53Å | 1.53Å | |
| O4B | C1B | sing | 1.44Å | 1.45Å | |
| C1B | N9A | sing | 1.46Å | 1.47Å | |
| C8A | N9A | sing | 1.36Å | 1.35Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.34Å | Aromatic |
| C9P | N8P | sing | 1.35Å | 1.31Å | |
| C9P | O9P | doub | 1.21Å | 1.20Å | |
| N9A | C4A | sing | 1.37Å | 1.36Å | Aromatic |
| N8P | C7P | sing | 1.46Å | 1.47Å | |
| N7A | C5A | sing | 1.36Å | 1.36Å | Aromatic |
| C6P | C7P | sing | 1.53Å | 1.52Å | |
| C6P | C5P | sing | 1.51Å | 1.52Å | |
| C4A | C5A | doub | 1.40Å | 1.46Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.34Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.44Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| C5P | N4P | sing | 1.35Å | 1.34Å | |
| C5P | O5P | doub | 1.21Å | 1.21Å | |
| N4P | C3P | sing | 1.46Å | 1.45Å | |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.34Å | Aromatic |
| C3P | C2P | sing | 1.53Å | 1.51Å | |
| C2P | O1P | sing | 1.45Å | 1.73Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| O1P | C | sing | 1.34Å | 1.66Å | |
| C | CH3 | sing | 1.51Å | 1.49Å | |
| C2A | H1 | sing | 1.08Å | 1.08Å | |
| N6A | H2 | sing | 0.97Å | 1.00Å | |
| N6A | H3 | sing | 0.97Å | 1.00Å | |
| C8A | H4 | sing | 1.08Å | 1.08Å | |
| C1B | H5 | sing | 1.09Å | 1.10Å | |
| C2B | H6 | sing | 1.09Å | 1.10Å | |
| O2B | H7 | sing | 0.97Å | 0.95Å | |
| C3B | H8 | sing | 1.09Å | 1.10Å | |
| O7A | H9 | sing | 0.97Å | 0.95Å | |
| O8A | H10 | sing | 0.97Å | 0.95Å | |
| C4B | H11 | sing | 1.09Å | 1.10Å | |
| C5B | H12 | sing | 1.09Å | 1.10Å | |
| C5B | H13 | sing | 1.09Å | 1.10Å | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| O5A | H15 | sing | 0.97Å | 0.95Å | |
| CCP | H16 | sing | 1.09Å | 1.10Å | |
| CCP | H17 | sing | 1.09Å | 1.10Å | |
| CDP | H18 | sing | 1.09Å | 1.10Å | |
| CDP | H19 | sing | 1.09Å | 1.10Å | |
| CDP | H20 | sing | 1.09Å | 1.10Å | |
| CEP | H21 | sing | 1.09Å | 1.10Å | |
| CEP | H22 | sing | 1.09Å | 1.10Å | |
| CEP | H23 | sing | 1.09Å | 1.10Å | |
| CAP | H24 | sing | 1.09Å | 1.10Å | |
| OAP | H25 | sing | 0.97Å | 0.95Å | |
| N8P | H26 | sing | 0.97Å | 1.00Å | |
| C7P | H27 | sing | 1.09Å | 1.10Å | |
| C7P | H28 | sing | 1.09Å | 1.10Å | |
| C6P | H29 | sing | 1.09Å | 1.10Å | |
| C6P | H30 | sing | 1.09Å | 1.10Å | |
| N4P | H31 | sing | 0.97Å | 1.00Å | |
| C3P | H32 | sing | 1.09Å | 1.10Å | |
| C3P | H33 | sing | 1.09Å | 1.10Å | |
| C2P | H34 | sing | 1.09Å | 1.10Å | |
| C2P | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4A | P2A | O3A | 93.8° | 109.4° |
| O4A | P2A | O5A | 115.0° | 109.5° |
| O4A | P2A | O6A | 104.0° | 109.5° |
| O2A | P1A | O3A | 113.3° | 109.5° |
| O2A | P1A | O1A | 113.0° | 109.5° |
| O2A | P1A | O5B | 111.0° | 109.5° |
| P2A | O3A | P1A | 135.5° | 134.0° |
| O3A | P2A | O5A | 120.9° | 109.5° |
| O3A | P2A | O6A | 117.3° | 109.5° |
| O3A | P1A | O1A | 108.4° | 109.5° |
| O3A | P1A | O5B | 102.1° | 109.5° |
| O5A | P2A | O6A | 104.7° | 109.5° |
| P2A | O5A | H15 | 109.5° | 114.0° |
| P2A | O6A | CCP | 122.1° | 123.0° |
| O1A | P1A | O5B | 108.4° | 109.5° |
| P1A | O1A | H14 | 109.5° | 114.0° |
| P1A | O5B | C5B | 122.5° | 123.0° |
| O9A | P3B | O8A | 112.9° | 109.5° |
| O9A | P3B | O3B | 107.2° | 109.4° |
| O9A | P3B | O7A | 115.3° | 109.5° |
| O6A | CCP | CBP | 106.1° | 109.4° |
| O6A | CCP | H16 | 110.3° | 109.5° |
| O6A | CCP | H17 | 110.3° | 109.5° |
| O5B | C5B | C4B | 109.4° | 109.5° |
| O5B | C5B | H12 | 109.5° | 109.5° |
| O5B | C5B | H13 | 109.5° | 109.5° |
| C5B | C4B | C3B | 115.2° | 109.9° |
| C5B | C4B | O4B | 113.2° | 109.9° |
| C5B | C4B | H11 | 107.9° | 109.9° |
| C4B | C5B | H12 | 109.5° | 109.5° |
| C4B | C5B | H13 | 109.5° | 109.5° |
| CCP | CBP | CAP | 107.9° | 109.5° |
| CCP | CBP | CDP | 108.7° | 109.5° |
| CCP | CBP | CEP | 106.6° | 109.5° |
| CBP | CCP | H16 | 110.3° | 109.4° |
| CBP | CCP | H17 | 110.3° | 109.5° |
| O8A | P3B | O3B | 100.1° | 109.5° |
| O8A | P3B | O7A | 115.2° | 109.5° |
| P3B | O8A | H10 | 109.5° | 114.0° |
| O3B | P3B | O7A | 104.2° | 109.5° |
| P3B | O3B | C3B | 120.5° | 123.0° |
| P3B | O7A | H9 | 109.5° | 114.0° |
| C2B | C3B | C4B | 106.0° | 104.2° |
| C2B | C3B | O3B | 108.0° | 110.5° |
| C3B | C2B | O2B | 114.3° | 110.9° |
| C3B | C2B | C1B | 100.2° | 102.1° |
| C3B | C2B | H6 | 111.9° | 111.0° |
| C2B | C3B | H8 | 112.8° | 110.5° |
| C4B | C3B | O3B | 102.3° | 110.5° |
| C3B | C4B | O4B | 103.9° | 107.4° |
| C4B | C3B | H8 | 113.1° | 110.5° |
| C3B | C4B | H11 | 107.8° | 109.9° |
| O3B | C3B | H8 | 113.8° | 110.5° |
| OAP | CAP | CBP | 111.6° | 109.5° |
| OAP | CAP | C9P | 107.2° | 109.5° |
| OAP | CAP | H24 | 110.4° | 109.5° |
| CAP | OAP | H25 | 109.5° | 114.0° |
| O2B | C2B | C1B | 103.1° | 110.9° |
| O2B | C2B | H6 | 114.1° | 110.8° |
| C2B | O2B | H7 | 109.5° | 114.0° |
| C2B | C1B | O4B | 105.3° | 103.6° |
| C2B | C1B | N9A | 116.4° | 110.6° |
| C2B | C1B | H5 | 109.1° | 110.6° |
| C1B | C2B | H6 | 111.9° | 110.9° |
| C4B | O4B | C1B | 111.5° | 106.9° |
| O4B | C4B | H11 | 108.6° | 109.7° |
| CBP | CAP | C9P | 108.5° | 109.4° |
| CAP | CBP | CDP | 110.3° | 109.5° |
| CAP | CBP | CEP | 113.3° | 109.4° |
| CBP | CAP | H24 | 109.3° | 109.5° |
| CAP | C9P | N8P | 114.8° | 120.0° |
| CAP | C9P | O9P | 124.0° | 120.0° |
| C9P | CAP | H24 | 109.7° | 109.4° |
| CDP | CBP | CEP | 109.9° | 109.5° |
| CBP | CDP | H18 | 109.5° | 109.4° |
| CBP | CDP | H19 | 109.4° | 109.4° |
| CBP | CDP | H20 | 109.5° | 109.5° |
| CBP | CEP | H21 | 109.5° | 109.4° |
| CBP | CEP | H22 | 109.5° | 109.5° |
| CBP | CEP | H23 | 109.5° | 109.5° |
| O4B | C1B | N9A | 106.1° | 110.7° |
| O4B | C1B | H5 | 110.1° | 110.6° |
| C1B | N9A | C8A | 124.9° | 126.3° |
| C1B | N9A | C4A | 125.3° | 126.3° |
| N9A | C1B | H5 | 109.8° | 110.6° |
| N9A | C8A | N7A | 111.5° | 110.0° |
| C8A | N9A | C4A | 109.3° | 107.4° |
| N9A | C8A | H4 | 124.2° | 125.0° |
| C8A | N7A | C5A | 106.3° | 109.4° |
| N7A | C8A | H4 | 124.2° | 125.0° |
| N8P | C9P | O9P | 121.1° | 120.0° |
| C9P | N8P | C7P | 123.6° | 120.0° |
| C9P | N8P | H26 | 118.2° | 120.0° |
| N9A | C4A | C5A | 104.0° | 106.0° |
| N9A | C4A | N3A | 136.4° | 134.9° |
| N8P | C7P | C6P | 109.0° | 109.5° |
| C7P | N8P | H26 | 118.2° | 120.0° |
| N8P | C7P | H27 | 109.6° | 109.5° |
| N8P | C7P | H28 | 109.6° | 109.5° |
| N7A | C5A | C4A | 108.6° | 107.1° |
| N7A | C5A | C6A | 135.8° | 134.7° |
| C7P | C6P | C5P | 109.5° | 109.5° |
| C6P | C7P | H27 | 109.6° | 109.4° |
| C6P | C7P | H28 | 109.6° | 109.5° |
| C7P | C6P | H29 | 109.4° | 109.4° |
| C7P | C6P | H30 | 109.5° | 109.5° |
| C6P | C5P | N4P | 117.0° | 120.0° |
| C6P | C5P | O5P | 122.8° | 120.0° |
| C5P | C6P | H29 | 109.5° | 109.5° |
| C5P | C6P | H30 | 109.5° | 109.5° |
| C5A | C4A | N3A | 119.6° | 119.1° |
| C4A | C5A | C6A | 115.6° | 118.2° |
| C4A | N3A | C2A | 121.2° | 120.7° |
| C5A | C6A | N6A | 116.4° | 120.8° |
| C5A | C6A | N1A | 120.1° | 118.5° |
| N3A | C2A | N1A | 122.3° | 122.4° |
| N3A | C2A | H1 | 118.8° | 118.8° |
| N4P | C5P | O5P | 120.2° | 120.0° |
| C5P | N4P | C3P | 118.7° | 120.0° |
| C5P | N4P | H31 | 120.7° | 120.0° |
| N4P | C3P | C2P | 106.0° | 109.5° |
| C3P | N4P | H31 | 120.7° | 120.0° |
| N4P | C3P | H32 | 110.3° | 109.5° |
| N4P | C3P | H33 | 110.3° | 109.4° |
| N6A | C6A | N1A | 123.5° | 120.7° |
| C6A | N6A | H2 | 109.5° | 120.0° |
| C6A | N6A | H3 | 109.5° | 120.0° |
| C6A | N1A | C2A | 121.1° | 121.2° |
| N1A | C2A | H1 | 118.8° | 118.8° |
| C3P | C2P | O1P | 94.8° | 109.5° |
| C2P | C3P | H32 | 110.3° | 109.5° |
| C2P | C3P | H33 | 110.3° | 109.4° |
| C3P | C2P | H34 | 113.0° | 109.5° |
| C3P | C2P | H35 | 113.0° | 109.5° |
| C2P | O1P | C | 104.0° | 117.0° |
| O1P | C2P | H34 | 113.0° | 109.4° |
| O1P | C2P | H35 | 113.0° | 109.5° |
| O | C | O1P | 123.6° | 120.0° |
| O | C | CH3 | 124.6° | 120.0° |
| O1P | C | CH3 | 111.5° | 120.0° |
| C | CH3 | H36 | 109.5° | 109.5° |
| C | CH3 | H37 | 109.4° | 109.5° |
| C | CH3 | H38 | 109.5° | 109.5° |
| H2 | N6A | H3 | 109.5° | 120.0° |
| H12 | C5B | H13 | 109.4° | 109.4° |
| H16 | CCP | H17 | 109.5° | 109.5° |
| H18 | CDP | H19 | 109.4° | 109.5° |
| H18 | CDP | H20 | 109.4° | 109.5° |
| H19 | CDP | H20 | 109.5° | 109.5° |
| H21 | CEP | H22 | 109.5° | 109.4° |
| H21 | CEP | H23 | 109.5° | 109.5° |
| H22 | CEP | H23 | 109.4° | 109.5° |
| H27 | C7P | H28 | 109.5° | 109.4° |
| H29 | C6P | H30 | 109.4° | 109.5° |
| H32 | C3P | H33 | 109.4° | 109.5° |
| H34 | C2P | H35 | 109.5° | 109.5° |
| H36 | CH3 | H37 | 109.5° | 109.4° |
| H36 | CH3 | H38 | 109.5° | 109.5° |
| H37 | CH3 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4A | P2A | O3A | O5A | 122.3° | 120.0° |
| O4A | P2A | O3A | O6A | 107.9° | 120.0° |
| O4A | P2A | O3A | P1A | 156.8° | 45.0° |
| O4A | P2A | O5A | O6A | 113.4° | 120.0° |
| O4A | P2A | O6A | CCP | 61.4° | 55.0° |
| O4A | P2A | O5A | H15 | 0.0° | 180.0° |
| O2A | P1A | O3A | P2A | 112.7° | 45.0° |
| O2A | P1A | O3A | O1A | 126.2° | 120.0° |
| O2A | P1A | O3A | O5B | 119.4° | 120.0° |
| O2A | P1A | O1A | O5B | 123.5° | 120.0° |
| O2A | P1A | O5B | C5B | 32.9° | 55.0° |
| O2A | P1A | O1A | H14 | 0.0° | 179.9° |
| O3A | P2A | O5A | O6A | 135.2° | 120.0° |
| P2A | O3A | P1A | O1A | 121.1° | 75.0° |
| P2A | O3A | P1A | O5B | 6.8° | 165.0° |
| O3A | P2A | O6A | CCP | 40.5° | 175.0° |
| O3A | P2A | O5A | H15 | 111.4° | 60.0° |
| P1A | O3A | P2A | O5A | 80.9° | 75.0° |
| P1A | O3A | P2A | O6A | 48.9° | 165.0° |
| O3A | P1A | O1A | O5B | 110.1° | 120.0° |
| O3A | P1A | O5B | C5B | 88.1° | 175.0° |
| O3A | P1A | O1A | H14 | 126.4° | 59.9° |
| O5A | P2A | O6A | CCP | 177.5° | 65.0° |
| P2A | O6A | CCP | CBP | 179.8° | 180.0° |
| O6A | P2A | O5A | H15 | 113.4° | 60.0° |
| P2A | O6A | CCP | H16 | 60.4° | 60.1° |
| P2A | O6A | CCP | H17 | 60.7° | 60.0° |
| O1A | P1A | O5B | C5B | 157.6° | 65.0° |
| P1A | O5B | C5B | C4B | 115.8° | 180.0° |
| P1A | O5B | C5B | H12 | 4.2° | 60.0° |
| P1A | O5B | C5B | H13 | 124.2° | 59.9° |
| O5B | P1A | O1A | H14 | 123.5° | 60.1° |
| O9A | P3B | O8A | O3B | 113.7° | 120.0° |
| O9A | P3B | O8A | O7A | 135.3° | 120.0° |
| O9A | P3B | O3B | O7A | 122.7° | 120.0° |
| O9A | P3B | O3B | C3B | 46.4° | 55.0° |
| O9A | P3B | O7A | H9 | 0.0° | 60.0° |
| O9A | P3B | O8A | H10 | 0.0° | 180.0° |
| O6A | CCP | CBP | H16 | 119.5° | 120.0° |
| O6A | CCP | CBP | H17 | 119.5° | 120.0° |
| O6A | CCP | CBP | CAP | 65.9° | 180.0° |
| O6A | CCP | CBP | CDP | 53.7° | 60.0° |
| O6A | CCP | CBP | CEP | 172.1° | 60.0° |
| O6A | CCP | H16 | H17 | 121.6° | 120.1° |
| O5B | C5B | C4B | H12 | 120.0° | 120.0° |
| O5B | C5B | C4B | H13 | 120.0° | 120.0° |
| O5B | C5B | C4B | C3B | 68.0° | 175.0° |
| O5B | C5B | C4B | O4B | 51.4° | 67.0° |
| O5B | C5B | C4B | H11 | 171.6° | 53.9° |
| O5B | C5B | H12 | H13 | 120.0° | 120.0° |
| C5B | C4B | C3B | C2B | 98.1° | 121.5° |
| C5B | C4B | C3B | O4B | 124.4° | 119.6° |
| C5B | C4B | C3B | H11 | 120.5° | 121.1° |
| C5B | C4B | C3B | O3B | 148.8° | 119.8° |
| C5B | C4B | O4B | H11 | 119.8° | 121.0° |
| C5B | C4B | O4B | C1B | 120.4° | 145.8° |
| C5B | C4B | C3B | H8 | 25.9° | 2.8° |
| C4B | C5B | H12 | H13 | 120.0° | 120.0° |
| CCP | CBP | CAP | OAP | 55.0° | 65.8° |
| CCP | CBP | CAP | CDP | 118.6° | 120.0° |
| CCP | CBP | CAP | CEP | 117.7° | 120.0° |
| CCP | CBP | CAP | C9P | 172.9° | 54.3° |
| CCP | CBP | CDP | CEP | 116.3° | 120.0° |
| CBP | CCP | H16 | H17 | 121.5° | 120.0° |
| CCP | CBP | CDP | H18 | 180.0° | 173.5° |
| CCP | CBP | CDP | H19 | 60.0° | 53.6° |
| CCP | CBP | CDP | H20 | 60.0° | 66.4° |
| CCP | CBP | CEP | H21 | 180.0° | 56.6° |
| CCP | CBP | CEP | H22 | 60.0° | 63.4° |
| CCP | CBP | CEP | H23 | 60.0° | 176.6° |
| CCP | CBP | CAP | H24 | 67.5° | 174.2° |
| O8A | P3B | O3B | O7A | 119.4° | 120.0° |
| O8A | P3B | O3B | C3B | 71.6° | 65.0° |
| O8A | P3B | O7A | H9 | 134.3° | 60.0° |
| P3B | O3B | C3B | C2B | 104.4° | 121.4° |
| P3B | O3B | C3B | C4B | 144.0° | 123.8° |
| P3B | O3B | C3B | H8 | 21.7° | 1.2° |
| O3B | P3B | O7A | H9 | 117.2° | 180.0° |
| O3B | P3B | O8A | H10 | 113.7° | 60.0° |
| O7A | P3B | O3B | C3B | 169.1° | 175.0° |
| O7A | P3B | O8A | H10 | 135.3° | 60.0° |
| C2B | C3B | C4B | O3B | 113.1° | 118.7° |
| C2B | C3B | C4B | H8 | 124.1° | 118.7° |
| C2B | C3B | O3B | H8 | 126.1° | 122.6° |
| C3B | C2B | O2B | C1B | 107.7° | 112.7° |
| C3B | C2B | O2B | H6 | 130.6° | 123.7° |
| C3B | C2B | C1B | H6 | 118.8° | 118.2° |
| C2B | C3B | C4B | O4B | 26.3° | 1.9° |
| C3B | C2B | C1B | O4B | 32.1° | 36.9° |
| C3B | C2B | C1B | N9A | 149.2° | 155.5° |
| C3B | C2B | C1B | H5 | 86.0° | 81.6° |
| C3B | C2B | O2B | H7 | 180.0° | 174.1° |
| C2B | C3B | C4B | H11 | 141.4° | 117.4° |
| C4B | C3B | O3B | H8 | 122.3° | 122.6° |
| C4B | C3B | C2B | O2B | 145.4° | 139.1° |
| C4B | C3B | C2B | C1B | 35.9° | 20.9° |
| C3B | C4B | O4B | H11 | 114.6° | 119.4° |
| C3B | C4B | O4B | C1B | 5.2° | 26.2° |
| C4B | C3B | C2B | H6 | 82.9° | 97.3° |
| C3B | C4B | C5B | H12 | 52.1° | 55.0° |
| C3B | C4B | C5B | H13 | 172.0° | 65.0° |
| O3B | C3B | C2B | O2B | 36.3° | 20.4° |
| O3B | C3B | C2B | C1B | 73.2° | 97.8° |
| O3B | C3B | C4B | O4B | 86.8° | 120.6° |
| O3B | C3B | C2B | H6 | 168.0° | 144.0° |
| O3B | C3B | C4B | H11 | 28.3° | 1.3° |
| OAP | CAP | CBP | C9P | 117.9° | 120.0° |
| OAP | CAP | CBP | H24 | 122.5° | 120.0° |
| OAP | CAP | C9P | H24 | 119.9° | 120.0° |
| OAP | CAP | CBP | CDP | 173.6° | 174.2° |
| OAP | CAP | CBP | CEP | 62.7° | 54.2° |
| OAP | CAP | C9P | N8P | 13.6° | 171.9° |
| OAP | CAP | C9P | O9P | 165.3° | 8.1° |
| O2B | C2B | C1B | H6 | 123.1° | 123.5° |
| O2B | C2B | C1B | O4B | 150.2° | 155.1° |
| O2B | C2B | C1B | N9A | 92.7° | 86.3° |
| O2B | C2B | C1B | H5 | 32.1° | 36.6° |
| O2B | C2B | C3B | H8 | 90.4° | 102.3° |
| C2B | C1B | O4B | C4B | 17.7° | 39.8° |
| C2B | C1B | O4B | N9A | 123.9° | 118.6° |
| C2B | C1B | O4B | H5 | 117.4° | 118.5° |
| C2B | C1B | N9A | H5 | 124.4° | 122.9° |
| C2B | C1B | N9A | C8A | 67.7° | 92.8° |
| C2B | C1B | N9A | C4A | 122.3° | 87.3° |
| C1B | C2B | O2B | H7 | 72.3° | 61.4° |
| C1B | C2B | C3B | H8 | 160.1° | 139.5° |
| C4B | O4B | C1B | N9A | 141.6° | 158.4° |
| C4B | O4B | C1B | H5 | 99.8° | 78.7° |
| O4B | C4B | C3B | H8 | 150.3° | 116.8° |
| O4B | C4B | C5B | H12 | 171.4° | 173.0° |
| O4B | C4B | C5B | H13 | 68.6° | 53.1° |
| CBP | CAP | C9P | H24 | 119.4° | 120.0° |
| CAP | CBP | CDP | CEP | 125.6° | 120.0° |
| CBP | CAP | C9P | N8P | 107.1° | 68.1° |
| CBP | CAP | C9P | O9P | 74.0° | 111.9° |
| CAP | CBP | CCP | H16 | 53.6° | 60.0° |
| CAP | CBP | CCP | H17 | 174.6° | 60.0° |
| CAP | CBP | CDP | H18 | 61.9° | 53.5° |
| CAP | CBP | CDP | H19 | 178.1° | 66.4° |
| CAP | CBP | CDP | H20 | 58.1° | 173.6° |
| CAP | CBP | CEP | H21 | 61.5° | 176.6° |
| CAP | CBP | CEP | H22 | 58.5° | 56.6° |
| CAP | CBP | CEP | H23 | 178.5° | 63.5° |
| CBP | CAP | OAP | H25 | 180.0° | 60.0° |
| C9P | CAP | CBP | CDP | 68.5° | 65.7° |
| C9P | CAP | CBP | CEP | 55.2° | 174.3° |
| CAP | C9P | N8P | O9P | 178.9° | 180.0° |
| CAP | C9P | N8P | C7P | 177.3° | 175.6° |
| C9P | CAP | OAP | H25 | 61.4° | 60.0° |
| CAP | C9P | N8P | H26 | 2.7° | 4.4° |
| CDP | CBP | CCP | H16 | 173.2° | 180.0° |
| CDP | CBP | CCP | H17 | 65.8° | 60.0° |
| CBP | CDP | H18 | H19 | 120.0° | 120.0° |
| CBP | CDP | H18 | H20 | 120.0° | 120.0° |
| CBP | CDP | H19 | H20 | 120.0° | 120.0° |
| CDP | CBP | CEP | H21 | 62.4° | 63.4° |
| CDP | CBP | CEP | H22 | 177.6° | 176.6° |
| CDP | CBP | CEP | H23 | 57.6° | 56.6° |
| CDP | CBP | CAP | H24 | 51.1° | 54.2° |
| CEP | CBP | CCP | H16 | 68.4° | 60.0° |
| CEP | CBP | CCP | H17 | 52.6° | 180.0° |
| CEP | CBP | CDP | H18 | 63.7° | 66.4° |
| CEP | CBP | CDP | H19 | 56.3° | 173.6° |
| CEP | CBP | CDP | H20 | 176.3° | 53.6° |
| CBP | CEP | H21 | H22 | 120.0° | 120.0° |
| CBP | CEP | H21 | H23 | 120.0° | 120.0° |
| CBP | CEP | H22 | H23 | 120.0° | 120.0° |
| CEP | CBP | CAP | H24 | 174.8° | 65.8° |
| O4B | C1B | N9A | H5 | 118.9° | 122.9° |
| O4B | C1B | N9A | C8A | 48.9° | 21.4° |
| O4B | C1B | N9A | C4A | 121.0° | 158.4° |
| O4B | C1B | C2B | H6 | 86.7° | 81.3° |
| C1B | O4B | C4B | H11 | 119.8° | 93.2° |
| C1B | N9A | C8A | C4A | 171.3° | 179.9° |
| C1B | N9A | C8A | N7A | 177.4° | 180.0° |
| C1B | N9A | C4A | C5A | 175.9° | 180.0° |
| C1B | N9A | C4A | N3A | 6.0° | 0.1° |
| C1B | N9A | C8A | H4 | 2.7° | 0.0° |
| N9A | C1B | C2B | H6 | 30.4° | 37.3° |
| N9A | C8A | N7A | H4 | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 4.6° | 0.0° |
| C8A | N9A | C4A | C5A | 4.6° | 0.1° |
| C8A | N9A | C4A | N3A | 177.3° | 180.0° |
| C8A | N9A | C1B | H5 | 167.8° | 144.3° |
| N7A | C8A | N9A | C4A | 6.0° | 0.1° |
| C8A | N7A | C5A | C4A | 1.6° | 0.1° |
| C8A | N7A | C5A | C6A | 177.8° | 179.9° |
| C9P | N8P | C7P | H26 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 123.5° | 180.0° |
| N8P | C9P | CAP | H24 | 133.5° | 51.8° |
| C9P | N8P | C7P | H27 | 116.6° | 60.0° |
| C9P | N8P | C7P | H28 | 3.6° | 60.0° |
| O9P | C9P | N8P | C7P | 1.6° | 4.4° |
| O9P | C9P | CAP | H24 | 45.4° | 128.2° |
| O9P | C9P | N8P | H26 | 178.4° | 175.6° |
| N9A | C4A | C5A | N7A | 1.9° | 0.1° |
| N9A | C4A | C5A | N3A | 178.5° | 179.9° |
| N9A | C4A | C5A | C6A | 178.6° | 180.0° |
| N9A | C4A | N3A | C2A | 179.1° | 179.9° |
| C4A | N9A | C8A | H4 | 174.0° | 179.9° |
| C4A | N9A | C1B | H5 | 2.1° | 35.5° |
| N8P | C7P | C6P | H27 | 119.9° | 120.0° |
| N8P | C7P | C6P | H28 | 119.9° | 120.0° |
| N8P | C7P | C6P | C5P | 174.6° | 180.0° |
| N8P | C7P | H27 | H28 | 120.2° | 120.0° |
| N8P | C7P | C6P | H29 | 65.4° | 60.0° |
| N8P | C7P | C6P | H30 | 54.6° | 60.0° |
| N7A | C5A | C4A | C6A | 179.5° | 179.9° |
| N7A | C5A | C4A | N3A | 179.6° | 180.0° |
| N7A | C5A | C6A | N6A | 0.1° | 0.1° |
| N7A | C5A | C6A | N1A | 177.9° | 180.0° |
| C5A | N7A | C8A | H4 | 175.4° | 180.0° |
| C7P | C6P | C5P | H29 | 120.0° | 119.9° |
| C7P | C6P | C5P | H30 | 120.0° | 120.0° |
| C7P | C6P | C5P | N4P | 101.5° | 180.0° |
| C7P | C6P | C5P | O5P | 79.4° | 0.1° |
| C6P | C7P | N8P | H26 | 56.5° | 0.0° |
| C6P | C7P | H27 | H28 | 120.2° | 119.9° |
| C7P | C6P | H29 | H30 | 120.0° | 120.0° |
| C6P | C5P | N4P | O5P | 179.1° | 180.0° |
| C6P | C5P | N4P | C3P | 178.5° | 179.9° |
| C5P | C6P | C7P | H27 | 54.7° | 60.0° |
| C5P | C6P | C7P | H28 | 65.5° | 59.9° |
| C5P | C6P | H29 | H30 | 120.0° | 120.1° |
| C6P | C5P | N4P | H31 | 1.5° | 0.0° |
| C5A | C4A | N3A | C2A | 1.2° | 0.0° |
| C4A | C5A | C6A | N6A | 179.2° | 180.0° |
| C4A | C5A | C6A | N1A | 1.4° | 0.1° |
| N3A | C4A | C5A | C6A | 0.1° | 0.1° |
| C4A | N3A | C2A | N1A | 0.8° | 0.0° |
| C4A | N3A | C2A | H1 | 179.2° | 179.9° |
| C5A | C6A | N6A | N1A | 177.7° | 179.9° |
| C5A | C6A | N1A | C2A | 1.9° | 0.1° |
| C5A | C6A | N6A | H2 | 177.7° | 0.1° |
| C5A | C6A | N6A | H3 | 57.7° | 180.0° |
| N3A | C2A | N1A | C6A | 0.8° | 0.0° |
| N3A | C2A | N1A | H1 | 180.0° | 179.9° |
| C5P | N4P | C3P | H31 | 180.0° | 180.0° |
| C5P | N4P | C3P | C2P | 90.1° | 180.0° |
| N4P | C5P | C6P | H29 | 138.5° | 60.1° |
| N4P | C5P | C6P | H30 | 18.5° | 60.0° |
| C5P | N4P | C3P | H32 | 29.4° | 60.0° |
| C5P | N4P | C3P | H33 | 150.4° | 60.0° |
| O5P | C5P | N4P | C3P | 0.6° | 0.0° |
| O5P | C5P | C6P | H29 | 40.6° | 120.0° |
| O5P | C5P | C6P | H30 | 160.6° | 120.0° |
| O5P | C5P | N4P | H31 | 179.4° | 180.0° |
| N4P | C3P | C2P | H32 | 119.5° | 120.1° |
| N4P | C3P | C2P | H33 | 119.5° | 119.9° |
| N4P | C3P | C2P | O1P | 175.5° | 65.1° |
| N4P | C3P | H32 | H33 | 121.6° | 120.0° |
| N4P | C3P | C2P | H34 | 58.0° | 175.0° |
| N4P | C3P | C2P | H35 | 67.0° | 55.0° |
| N6A | C6A | N1A | C2A | 179.5° | 180.0° |
| C6A | N6A | H2 | H3 | 120.0° | 180.0° |
| C6A | N1A | C2A | H1 | 179.2° | 179.9° |
| N1A | C6A | N6A | H2 | 0.0° | 180.0° |
| N1A | C6A | N6A | H3 | 120.0° | 0.0° |
| C3P | C2P | O1P | H34 | 117.5° | 120.0° |
| C3P | C2P | O1P | H35 | 117.5° | 120.0° |
| C3P | C2P | O1P | C | 118.7° | 180.0° |
| C2P | C3P | N4P | H31 | 89.9° | 0.1° |
| C2P | C3P | H32 | H33 | 121.6° | 120.0° |
| C3P | C2P | H34 | H35 | 126.9° | 120.0° |
| C2P | O1P | C | O | 34.7° | 0.0° |
| C2P | O1P | C | CH3 | 151.3° | 180.0° |
| O1P | C2P | C3P | H32 | 65.1° | 55.0° |
| O1P | C2P | C3P | H33 | 56.0° | 175.0° |
| O1P | C2P | H34 | H35 | 126.9° | 120.0° |
| O | C | O1P | CH3 | 174.0° | 180.0° |
| O | C | CH3 | H36 | 0.0° | 0.0° |
| O | C | CH3 | H37 | 120.0° | 120.0° |
| O | C | CH3 | H38 | 120.0° | 120.0° |
| C | O1P | C2P | H34 | 1.2° | 60.0° |
| C | O1P | C2P | H35 | 123.8° | 60.0° |
| O1P | C | CH3 | H36 | 174.0° | 180.0° |
| O1P | C | CH3 | H37 | 66.0° | 60.0° |
| O1P | C | CH3 | H38 | 53.9° | 60.0° |
| C | CH3 | H36 | H37 | 120.0° | 120.0° |
| C | CH3 | H36 | H38 | 120.0° | 120.0° |
| C | CH3 | H37 | H38 | 120.0° | 120.0° |
| H5 | C1B | C2B | H6 | 155.2° | 160.1° |
| H6 | C2B | O2B | H7 | 49.4° | 62.2° |
| H6 | C2B | C3B | H8 | 41.3° | 21.4° |
| H8 | C3B | C4B | H11 | 94.5° | 123.9° |
| H11 | C4B | C5B | H12 | 68.4° | 66.1° |
| H11 | C4B | C5B | H13 | 51.6° | 173.9° |
| H18 | CDP | H19 | H20 | 120.0° | 120.1° |
| H21 | CEP | H22 | H23 | 120.0° | 120.0° |
| H24 | CAP | OAP | H25 | 58.1° | 180.0° |
| H26 | N8P | C7P | H27 | 63.4° | 120.0° |
| H26 | N8P | C7P | H28 | 176.4° | 120.0° |
| H27 | C7P | C6P | H29 | 174.7° | 179.9° |
| H27 | C7P | C6P | H30 | 65.4° | 60.1° |
| H28 | C7P | C6P | H29 | 54.5° | 60.0° |
| H28 | C7P | C6P | H30 | 174.5° | NaN° |
| H31 | N4P | C3P | H32 | 150.6° | 120.0° |
| H31 | N4P | C3P | H33 | 29.6° | 120.0° |
| H32 | C3P | C2P | H34 | 177.5° | 64.9° |
| H32 | C3P | C2P | H35 | 52.5° | 175.0° |
| H33 | C3P | C2P | H34 | 61.5° | 55.0° |
| H33 | C3P | C2P | H35 | 173.5° | 65.0° |
| H36 | CH3 | H37 | H38 | 120.0° | 120.0° |
