Obsolete: QHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9A | P3B | doub | 1.48Å | 1.49Å | |
| O7A | P3B | sing | 1.61Å | 1.49Å | |
| O8A | P3B | sing | 1.61Å | 1.50Å | |
| P3B | O3B | sing | 1.61Å | 1.64Å | |
| O4 | P | doub | 1.48Å | 1.50Å | |
| O5P | C5P | doub | 1.21Å | 1.18Å | |
| C5P | C6P | sing | 1.51Å | 1.54Å | |
| C5P | N4P | sing | 1.35Å | 1.46Å | |
| O3B | C3B | sing | 1.43Å | 1.49Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| O1 | P | sing | 1.61Å | 1.50Å | |
| C2P | C3P | sing | 1.53Å | 1.55Å | |
| C2P | S1P | sing | 1.81Å | 1.83Å | |
| P | O3 | sing | 1.61Å | 1.50Å | |
| P | OA2 | sing | 1.61Å | 1.66Å | |
| C3P | N4P | sing | 1.46Å | 1.48Å | |
| CDP | CBP | sing | 1.53Å | 1.55Å | |
| C3B | C2B | sing | 1.55Å | 1.25Å | |
| C3B | C4B | sing | 1.55Å | 1.58Å | |
| OA2 | CAC | sing | 1.43Å | 1.40Å | |
| O2B | C2B | sing | 1.43Å | 1.45Å | |
| C7P | N8P | sing | 1.47Å | 1.46Å | |
| CCP | CBP | sing | 1.53Å | 1.55Å | |
| CCP | O6A | sing | 1.43Å | 1.41Å | |
| N8P | C9P | sing | 1.35Å | 1.47Å | |
| C5B | C4B | sing | 1.53Å | 1.38Å | |
| C5B | O5B | sing | 1.43Å | 1.40Å | |
| S1P | CAC | sing | 1.81Å | 1.83Å | |
| C2B | C1B | sing | 1.54Å | 1.66Å | |
| C4B | O4B | sing | 1.45Å | 1.53Å | |
| O2A | P1A | doub | 1.48Å | 1.50Å | |
| CBP | CAP | sing | 1.53Å | 1.55Å | |
| CBP | CEP | sing | 1.53Å | 1.55Å | |
| OAP | CAP | sing | 1.43Å | 1.38Å | |
| CAC | OA1 | sing | 1.43Å | 1.39Å | |
| CAC | CA | sing | 1.53Å | 1.54Å | |
| O5A | P2A | doub | 1.48Å | 1.50Å | |
| C9P | CAP | sing | 1.51Å | 1.53Å | |
| C9P | O9P | doub | 1.21Å | 1.18Å | |
| O6A | P2A | sing | 1.61Å | 1.66Å | |
| O5B | P1A | sing | 1.61Å | 1.66Å | |
| N3A | C2A | doub | 1.32Å | 1.32Å | Aromatic |
| N3A | C4A | sing | 1.33Å | 1.34Å | Aromatic |
| P1A | O3A | sing | 1.61Å | 1.64Å | |
| P1A | O1A | sing | 1.61Å | 1.50Å | |
| O4B | C1B | sing | 1.44Å | 1.28Å | |
| C1B | N9A | sing | 1.47Å | 1.43Å | |
| C2A | N1A | sing | 1.32Å | 1.31Å | Aromatic |
| P2A | O3A | sing | 1.61Å | 1.64Å | |
| P2A | O4A | sing | 1.61Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C4A | N9A | sing | 1.37Å | 1.34Å | Aromatic |
| C4A | C5A | doub | 1.41Å | 1.37Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.31Å | Aromatic |
| N1A | C6A | doub | 1.33Å | 1.31Å | Aromatic |
| OHB | CB | sing | 1.43Å | 1.38Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | CBC | sing | 1.51Å | 1.51Å | |
| C5A | C6A | sing | 1.41Å | 1.39Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.33Å | Aromatic |
| CG | CGC | sing | 1.51Å | 1.53Å | |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| OG2 | CGC | doub | 1.21Å | 1.26Å | |
| C6A | N6A | sing | 1.38Å | 1.45Å | |
| CBC | OB2 | doub | 1.21Å | 1.25Å | |
| CBC | OB1 | sing | 1.34Å | 1.26Å | |
| CGC | OG1 | sing | 1.34Å | 1.26Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| OB1 | H1 | sing | 0.97Å | 0.95Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| OG1 | H2 | sing | 0.97Å | 0.95Å | |
| C1B | H3 | sing | 1.09Å | 1.10Å | |
| C2A | H4 | sing | 1.08Å | 1.08Å | |
| C2B | H5 | sing | 1.09Å | 1.10Å | |
| C2P | H6 | sing | 1.09Å | 1.10Å | |
| C2P | H7 | sing | 1.09Å | 1.10Å | |
| C3B | H8 | sing | 1.09Å | 1.10Å | |
| C3P | H9 | sing | 1.09Å | 1.10Å | |
| C3P | H10 | sing | 1.09Å | 1.10Å | |
| C4B | H11 | sing | 1.09Å | 1.10Å | |
| C5B | H12 | sing | 1.09Å | 1.10Å | |
| C5B | H13 | sing | 1.09Å | 1.10Å | |
| C6P | H14 | sing | 1.09Å | 1.10Å | |
| C6P | H15 | sing | 1.09Å | 1.10Å | |
| C7P | H16 | sing | 1.09Å | 1.10Å | |
| C7P | H17 | sing | 1.09Å | 1.10Å | |
| C8A | H18 | sing | 1.08Å | 1.08Å | |
| CAP | H19 | sing | 1.09Å | 1.10Å | |
| CCP | H20 | sing | 1.09Å | 1.10Å | |
| CCP | H21 | sing | 1.09Å | 1.10Å | |
| CDP | H22 | sing | 1.09Å | 1.10Å | |
| CDP | H23 | sing | 1.09Å | 1.10Å | |
| CDP | H24 | sing | 1.09Å | 1.10Å | |
| CEP | H25 | sing | 1.09Å | 1.10Å | |
| CEP | H26 | sing | 1.09Å | 1.10Å | |
| CEP | H27 | sing | 1.09Å | 1.10Å | |
| N4P | H28 | sing | 0.97Å | 1.00Å | |
| N6A | H29 | sing | 0.97Å | 1.00Å | |
| N6A | H30 | sing | 0.97Å | 1.00Å | |
| N8P | H31 | sing | 0.97Å | 1.00Å | |
| O1 | H32 | sing | 0.97Å | 0.95Å | |
| O1A | H33 | sing | 0.97Å | 0.95Å | |
| O2B | H34 | sing | 0.97Å | 0.95Å | |
| O3 | H35 | sing | 0.97Å | 0.95Å | |
| O4A | H36 | sing | 0.97Å | 0.95Å | |
| O7A | H37 | sing | 0.97Å | 0.95Å | |
| O8A | H38 | sing | 0.97Å | 0.95Å | |
| OA1 | H39 | sing | 0.97Å | 0.95Å | |
| OAP | H40 | sing | 0.97Å | 0.95Å | |
| OHB | HOB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9A | P3B | O7A | 107.9° | 109.4° |
| O9A | P3B | O8A | 110.0° | 109.5° |
| O9A | P3B | O3B | 105.8° | 109.5° |
| O7A | P3B | O8A | 108.8° | 109.5° |
| O7A | P3B | O3B | 114.1° | 109.5° |
| P3B | O7A | H37 | 109.5° | 114.0° |
| O8A | P3B | O3B | 110.2° | 109.5° |
| P3B | O8A | H38 | 109.5° | 113.9° |
| P3B | O3B | C3B | 121.2° | 123.0° |
| O4 | P | O1 | 109.4° | 109.5° |
| O4 | P | O3 | 108.7° | 109.5° |
| O4 | P | OA2 | 110.3° | 109.5° |
| O5P | C5P | C6P | 119.1° | 120.0° |
| O5P | C5P | N4P | 120.4° | 120.0° |
| C6P | C5P | N4P | 120.5° | 120.0° |
| C5P | C6P | C7P | 113.5° | 109.5° |
| C5P | C6P | H14 | 108.5° | 109.4° |
| C5P | C6P | H15 | 108.5° | 109.5° |
| C5P | N4P | C3P | 123.8° | 120.0° |
| C5P | N4P | H28 | 118.1° | 120.0° |
| O3B | C3B | C2B | 109.2° | 110.9° |
| O3B | C3B | C4B | 110.4° | 110.9° |
| O3B | C3B | H8 | 108.9° | 110.9° |
| C6P | C7P | N8P | 110.7° | 109.5° |
| C7P | C6P | H14 | 108.5° | 109.5° |
| C7P | C6P | H15 | 108.5° | 109.5° |
| C6P | C7P | H16 | 109.2° | 109.5° |
| C6P | C7P | H17 | 109.2° | 109.4° |
| O1 | P | O3 | 108.8° | 109.5° |
| O1 | P | OA2 | 109.4° | 109.4° |
| P | O1 | H32 | 109.5° | 114.1° |
| C3P | C2P | S1P | 110.1° | 109.5° |
| C2P | C3P | N4P | 115.1° | 109.5° |
| C3P | C2P | H6 | 109.3° | 109.5° |
| C3P | C2P | H7 | 109.3° | 109.5° |
| C2P | C3P | H9 | 108.1° | 109.5° |
| C2P | C3P | H10 | 108.0° | 109.5° |
| C2P | S1P | CAC | 108.5° | 103.0° |
| S1P | C2P | H6 | 109.3° | 109.5° |
| S1P | C2P | H7 | 109.3° | 109.4° |
| O3 | P | OA2 | 110.2° | 109.5° |
| P | O3 | H35 | 109.5° | 114.0° |
| P | OA2 | CAC | 118.5° | 123.0° |
| N4P | C3P | H9 | 108.0° | 109.4° |
| N4P | C3P | H10 | 108.0° | 109.5° |
| C3P | N4P | H28 | 118.1° | 120.0° |
| CDP | CBP | CCP | 107.9° | 109.4° |
| CDP | CBP | CAP | 112.8° | 109.5° |
| CDP | CBP | CEP | 110.2° | 109.4° |
| CBP | CDP | H22 | 109.5° | 109.5° |
| CBP | CDP | H23 | 109.4° | 109.5° |
| CBP | CDP | H24 | 109.5° | 109.5° |
| C2B | C3B | C4B | 107.8° | 102.1° |
| C3B | C2B | O2B | 109.6° | 110.6° |
| C3B | C2B | C1B | 107.0° | 104.2° |
| C3B | C2B | H5 | 113.4° | 110.5° |
| C2B | C3B | H8 | 112.7° | 110.9° |
| C3B | C4B | C5B | 108.6° | 110.6° |
| C3B | C4B | O4B | 103.4° | 103.5° |
| C4B | C3B | H8 | 107.9° | 110.9° |
| C3B | C4B | H11 | 109.3° | 110.6° |
| OA2 | CAC | S1P | 109.6° | 109.5° |
| OA2 | CAC | OA1 | 107.3° | 109.4° |
| OA2 | CAC | CA | 112.2° | 109.4° |
| O2B | C2B | C1B | 109.1° | 110.5° |
| O2B | C2B | H5 | 110.1° | 110.4° |
| C2B | O2B | H34 | 109.5° | 114.0° |
| C7P | N8P | C9P | 118.4° | 120.0° |
| N8P | C7P | H16 | 109.2° | 109.5° |
| N8P | C7P | H17 | 109.2° | 109.5° |
| C7P | N8P | H31 | 120.8° | 119.9° |
| CBP | CCP | O6A | 106.7° | 109.5° |
| CCP | CBP | CAP | 107.9° | 109.5° |
| CCP | CBP | CEP | 107.8° | 109.5° |
| CBP | CCP | H20 | 110.2° | 109.4° |
| CBP | CCP | H21 | 110.1° | 109.4° |
| CCP | O6A | P2A | 119.7° | 123.0° |
| O6A | CCP | H20 | 110.2° | 109.5° |
| O6A | CCP | H21 | 110.2° | 109.5° |
| N8P | C9P | CAP | 121.2° | 120.0° |
| N8P | C9P | O9P | 119.2° | 120.0° |
| C9P | N8P | H31 | 120.8° | 120.1° |
| C4B | C5B | O5B | 111.6° | 109.5° |
| C5B | C4B | O4B | 112.8° | 110.6° |
| C5B | C4B | H11 | 112.3° | 110.6° |
| C4B | C5B | H12 | 109.0° | 109.5° |
| C4B | C5B | H13 | 108.9° | 109.4° |
| C5B | O5B | P1A | 117.9° | 123.0° |
| O5B | C5B | H12 | 108.9° | 109.5° |
| O5B | C5B | H13 | 108.9° | 109.5° |
| S1P | CAC | OA1 | 112.0° | 109.5° |
| S1P | CAC | CA | 107.2° | 109.5° |
| C2B | C1B | O4B | 106.5° | 107.4° |
| C2B | C1B | N9A | 112.1° | 109.8° |
| C2B | C1B | H3 | 106.3° | 109.9° |
| C1B | C2B | H5 | 107.5° | 110.5° |
| C4B | O4B | C1B | 104.3° | 106.8° |
| O4B | C4B | H11 | 110.0° | 110.7° |
| O2A | P1A | O5B | 111.1° | 109.4° |
| O2A | P1A | O3A | 110.5° | 109.5° |
| O2A | P1A | O1A | 108.2° | 109.4° |
| CAP | CBP | CEP | 110.1° | 109.5° |
| CBP | CAP | OAP | 109.1° | 109.5° |
| CBP | CAP | C9P | 114.0° | 109.5° |
| CBP | CAP | H19 | 107.8° | 109.5° |
| CBP | CEP | H25 | 109.5° | 109.4° |
| CBP | CEP | H26 | 109.4° | 109.5° |
| CBP | CEP | H27 | 109.4° | 109.5° |
| OAP | CAP | C9P | 107.7° | 109.5° |
| OAP | CAP | H19 | 110.1° | 109.4° |
| CAP | OAP | H40 | 109.5° | 114.0° |
| OA1 | CAC | CA | 108.7° | 109.5° |
| CAC | OA1 | H39 | 109.5° | 114.0° |
| CAC | CA | CB | 110.7° | 109.5° |
| CAC | CA | HA2 | 109.2° | 109.5° |
| CAC | CA | HA1 | 109.2° | 109.5° |
| O5A | P2A | O6A | 111.0° | 109.4° |
| O5A | P2A | O3A | 110.9° | 109.5° |
| O5A | P2A | O4A | 108.1° | 109.5° |
| CAP | C9P | O9P | 119.6° | 120.0° |
| C9P | CAP | H19 | 108.1° | 109.5° |
| O6A | P2A | O3A | 107.7° | 109.5° |
| O6A | P2A | O4A | 111.9° | 109.5° |
| O5B | P1A | O3A | 111.0° | 109.5° |
| O5B | P1A | O1A | 110.1° | 109.5° |
| C2A | N3A | C4A | 120.9° | 120.7° |
| N3A | C2A | N1A | 121.6° | 122.5° |
| N3A | C2A | H4 | 119.2° | 118.8° |
| N3A | C4A | N9A | 136.3° | 134.9° |
| N3A | C4A | C5A | 118.1° | 119.0° |
| O3A | P1A | O1A | 105.7° | 109.5° |
| P1A | O3A | P2A | 126.9° | 134.0° |
| P1A | O1A | H33 | 109.5° | 113.9° |
| O4B | C1B | N9A | 111.5° | 109.9° |
| O4B | C1B | H3 | 111.3° | 109.9° |
| C1B | N9A | C4A | 128.9° | 126.3° |
| C1B | N9A | C8A | 122.1° | 126.2° |
| N9A | C1B | H3 | 109.1° | 109.9° |
| C2A | N1A | C6A | 121.6° | 121.2° |
| N1A | C2A | H4 | 119.3° | 118.7° |
| O3A | P2A | O4A | 107.1° | 109.5° |
| P2A | O4A | H36 | 109.5° | 114.0° |
| CA | CB | OHB | 109.9° | 109.5° |
| CA | CB | CG | 110.6° | 109.5° |
| CA | CB | CBC | 109.5° | 109.5° |
| CB | CA | HA2 | 109.2° | 109.4° |
| CB | CA | HA1 | 109.2° | 109.4° |
| N9A | C4A | C5A | 105.7° | 106.0° |
| C4A | N9A | C8A | 109.0° | 107.5° |
| C4A | C5A | C6A | 119.9° | 118.2° |
| C4A | C5A | N7A | 107.7° | 107.2° |
| N9A | C8A | N7A | 109.3° | 110.0° |
| N9A | C8A | H18 | 125.3° | 125.0° |
| N1A | C6A | C5A | 118.1° | 118.5° |
| N1A | C6A | N6A | 122.2° | 120.7° |
| OHB | CB | CG | 111.1° | 109.5° |
| OHB | CB | CBC | 105.7° | 109.5° |
| CB | OHB | HOB | 109.5° | 114.0° |
| CG | CB | CBC | 109.9° | 109.5° |
| CB | CG | CGC | 110.6° | 109.5° |
| CB | CG | HG2 | 109.2° | 109.5° |
| CB | CG | HG1 | 109.2° | 109.5° |
| CB | CBC | OB2 | 120.0° | 120.0° |
| CB | CBC | OB1 | 119.6° | 120.0° |
| C6A | C5A | N7A | 132.4° | 134.7° |
| C5A | C6A | N6A | 119.7° | 120.8° |
| C5A | N7A | C8A | 108.3° | 109.4° |
| CG | CGC | OG2 | 119.9° | 119.9° |
| CG | CGC | OG1 | 119.7° | 120.0° |
| CGC | CG | HG2 | 109.2° | 109.4° |
| CGC | CG | HG1 | 109.2° | 109.4° |
| N7A | C8A | H18 | 125.4° | 125.0° |
| OG2 | CGC | OG1 | 120.3° | 120.1° |
| C6A | N6A | H29 | 109.5° | 120.0° |
| C6A | N6A | H30 | 109.5° | 120.1° |
| OB2 | CBC | OB1 | 120.4° | 120.0° |
| CBC | OB1 | H1 | 109.5° | 117.0° |
| CGC | OG1 | H2 | 109.5° | 117.0° |
| HA2 | CA | HA1 | 109.5° | 109.5° |
| HG2 | CG | HG1 | 109.4° | 109.5° |
| H6 | C2P | H7 | 109.5° | 109.5° |
| H9 | C3P | H10 | 109.5° | 109.5° |
| H12 | C5B | H13 | 109.5° | 109.5° |
| H14 | C6P | H15 | 109.4° | 109.5° |
| H16 | C7P | H17 | 109.4° | 109.4° |
| H20 | CCP | H21 | 109.5° | 109.5° |
| H22 | CDP | H23 | 109.5° | 109.5° |
| H22 | CDP | H24 | 109.5° | 109.5° |
| H23 | CDP | H24 | 109.5° | 109.5° |
| H25 | CEP | H26 | 109.4° | 109.5° |
| H25 | CEP | H27 | 109.5° | 109.5° |
| H26 | CEP | H27 | 109.5° | 109.5° |
| H29 | N6A | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9A | P3B | O7A | O8A | 119.2° | 120.0° |
| O9A | P3B | O7A | O3B | 117.3° | 120.0° |
| O9A | P3B | O8A | O3B | 116.3° | 120.0° |
| O9A | P3B | O3B | C3B | 147.3° | 55.0° |
| O9A | P3B | O7A | H37 | 0.0° | 60.1° |
| O9A | P3B | O8A | H38 | 0.0° | 180.0° |
| O7A | P3B | O8A | O3B | 125.8° | 120.0° |
| O7A | P3B | O3B | C3B | 28.8° | 175.0° |
| O7A | P3B | O8A | H38 | 117.9° | 60.1° |
| O8A | P3B | O3B | C3B | 93.9° | 65.0° |
| O8A | P3B | O7A | H37 | 119.2° | 59.9° |
| P3B | O3B | C3B | C2B | 149.9° | 121.5° |
| P3B | O3B | C3B | C4B | 91.7° | 125.8° |
| P3B | O3B | C3B | H8 | 26.5° | 2.1° |
| O3B | P3B | O7A | H37 | 117.3° | 180.0° |
| O3B | P3B | O8A | H38 | 116.3° | 60.0° |
| O4 | P | O1 | O3 | 118.6° | 120.0° |
| O4 | P | O1 | OA2 | 120.9° | 120.0° |
| O4 | P | O3 | OA2 | 121.0° | 120.0° |
| O4 | P | OA2 | CAC | 106.2° | 56.0° |
| O4 | P | O1 | H32 | 0.0° | 175.1° |
| O4 | P | O3 | H35 | 0.0° | 60.0° |
| O5P | C5P | C6P | N4P | 179.9° | 180.0° |
| O5P | C5P | C6P | C7P | 133.0° | 0.0° |
| O5P | C5P | N4P | C3P | 0.9° | 0.0° |
| O5P | C5P | C6P | H14 | 106.4° | 120.0° |
| O5P | C5P | C6P | H15 | 12.3° | 120.0° |
| O5P | C5P | N4P | H28 | 179.1° | 180.0° |
| C5P | C6P | C7P | H14 | 120.6° | 120.0° |
| C5P | C6P | C7P | H15 | 120.6° | 120.0° |
| C6P | C5P | N4P | C3P | 179.3° | 180.0° |
| C5P | C6P | C7P | N8P | 172.4° | 180.0° |
| C5P | C6P | H14 | H15 | 118.1° | 120.0° |
| C5P | C6P | C7P | H16 | 67.4° | 59.9° |
| C5P | C6P | C7P | H17 | 52.2° | 60.0° |
| C6P | C5P | N4P | H28 | 0.8° | 0.0° |
| N4P | C5P | C6P | C7P | 46.9° | 180.0° |
| C5P | N4P | C3P | C2P | 41.8° | 180.0° |
| C5P | N4P | C3P | H28 | 180.0° | 180.0° |
| C5P | N4P | C3P | H9 | 162.6° | 60.0° |
| C5P | N4P | C3P | H10 | 79.0° | 60.0° |
| N4P | C5P | C6P | H14 | 73.7° | 60.0° |
| N4P | C5P | C6P | H15 | 167.5° | 60.0° |
| O3B | C3B | C2B | C4B | 120.0° | 118.2° |
| O3B | C3B | C2B | H8 | 121.1° | 123.6° |
| O3B | C3B | C4B | H8 | 118.9° | 123.7° |
| O3B | C3B | C2B | O2B | 0.9° | 21.4° |
| O3B | C3B | C4B | C5B | 16.3° | 37.4° |
| O3B | C3B | C2B | C1B | 119.1° | 97.3° |
| O3B | C3B | C4B | O4B | 136.3° | 81.1° |
| O3B | C3B | C2B | H5 | 122.6° | 144.0° |
| O3B | C3B | C4B | H11 | 106.6° | 160.3° |
| C6P | C7P | N8P | H16 | 120.2° | 120.1° |
| C6P | C7P | N8P | H17 | 120.2° | 120.0° |
| C6P | C7P | N8P | C9P | 135.2° | 180.0° |
| C7P | C6P | H14 | H15 | 118.2° | 120.0° |
| C6P | C7P | H16 | H17 | 119.4° | 119.9° |
| C6P | C7P | N8P | H31 | 44.8° | 0.1° |
| O1 | P | O3 | OA2 | 120.0° | 119.9° |
| O1 | P | OA2 | CAC | 133.5° | 64.0° |
| O1 | P | O3 | H35 | 119.1° | 60.0° |
| C3P | C2P | S1P | H6 | 120.1° | 120.0° |
| C3P | C2P | S1P | H7 | 120.1° | 120.0° |
| C2P | C3P | N4P | H9 | 120.9° | 120.0° |
| C2P | C3P | N4P | H10 | 120.8° | 120.0° |
| C3P | C2P | S1P | CAC | 145.4° | 180.0° |
| C3P | C2P | H6 | H7 | 119.7° | 120.0° |
| C2P | C3P | H9 | H10 | 117.5° | 120.0° |
| C2P | C3P | N4P | H28 | 138.2° | 0.0° |
| S1P | C2P | C3P | N4P | 130.2° | 180.0° |
| C2P | S1P | CAC | OA2 | 32.8° | 60.0° |
| C2P | S1P | CAC | OA1 | 151.8° | 60.0° |
| C2P | S1P | CAC | CA | 89.2° | 180.0° |
| S1P | C2P | H6 | H7 | 119.7° | 120.0° |
| S1P | C2P | C3P | H9 | 9.4° | 60.0° |
| S1P | C2P | C3P | H10 | 109.0° | 60.0° |
| O3 | P | OA2 | CAC | 13.9° | 176.0° |
| O3 | P | O1 | H32 | 118.6° | 64.8° |
| P | OA2 | CAC | S1P | 94.7° | 58.7° |
| P | OA2 | CAC | OA1 | 27.1° | 178.8° |
| P | OA2 | CAC | CA | 146.4° | 61.2° |
| OA2 | P | O1 | H32 | 120.9° | 55.1° |
| OA2 | P | O3 | H35 | 121.0° | 180.0° |
| N4P | C3P | C2P | H6 | 10.2° | 60.0° |
| N4P | C3P | C2P | H7 | 109.6° | 60.0° |
| N4P | C3P | H9 | H10 | 117.4° | 120.0° |
| CDP | CBP | CCP | CAP | 122.1° | 120.0° |
| CDP | CBP | CCP | CEP | 119.0° | 119.9° |
| CDP | CBP | CCP | O6A | 140.1° | 60.0° |
| CDP | CBP | CAP | CEP | 123.5° | 120.0° |
| CDP | CBP | CAP | OAP | 89.0° | 59.6° |
| CDP | CBP | CAP | C9P | 31.4° | 179.6° |
| CDP | CBP | CAP | H19 | 151.4° | 60.4° |
| CDP | CBP | CCP | H20 | 20.5° | 180.0° |
| CDP | CBP | CCP | H21 | 100.4° | 60.0° |
| CBP | CDP | H22 | H23 | 120.0° | 120.1° |
| CBP | CDP | H22 | H24 | 120.0° | 120.0° |
| CBP | CDP | H23 | H24 | 120.0° | 120.0° |
| CDP | CBP | CEP | H25 | 180.0° | 173.7° |
| CDP | CBP | CEP | H26 | 60.0° | 53.7° |
| CDP | CBP | CEP | H27 | 60.0° | 66.3° |
| C2B | C3B | C4B | H8 | 121.9° | 118.1° |
| C3B | C2B | O2B | C1B | 116.9° | 114.8° |
| C3B | C2B | O2B | H5 | 125.4° | 122.7° |
| C2B | C3B | C4B | C5B | 102.9° | 155.5° |
| C3B | C2B | C1B | H5 | 122.1° | 118.7° |
| C2B | C3B | C4B | O4B | 17.1° | 37.1° |
| C3B | C2B | C1B | O4B | 22.6° | 2.1° |
| C3B | C2B | C1B | N9A | 144.8° | 117.4° |
| C3B | C2B | C1B | H3 | 96.1° | 121.6° |
| C2B | C3B | C4B | H11 | 134.2° | 81.5° |
| C3B | C2B | O2B | H34 | 180.0° | 176.3° |
| C4B | C3B | C2B | O2B | 119.1° | 139.6° |
| C3B | C4B | C5B | O4B | 114.0° | 114.1° |
| C3B | C4B | C5B | H11 | 121.1° | 122.9° |
| C3B | C4B | C5B | O5B | 132.7° | 175.0° |
| C4B | C3B | C2B | C1B | 0.9° | 20.9° |
| C3B | C4B | O4B | H11 | 116.7° | 118.6° |
| C3B | C4B | O4B | C1B | 31.7° | 40.1° |
| C4B | C3B | C2B | H5 | 117.4° | 97.8° |
| C3B | C4B | C5B | H12 | 107.0° | 55.0° |
| C3B | C4B | C5B | H13 | 12.4° | 65.0° |
| OA2 | CAC | S1P | OA1 | 119.0° | 120.0° |
| OA2 | CAC | S1P | CA | 121.9° | 120.0° |
| OA2 | CAC | OA1 | CA | 121.5° | 119.9° |
| OA2 | CAC | CA | CB | 133.6° | 173.9° |
| OA2 | CAC | CA | HA2 | 106.3° | 54.0° |
| OA2 | CAC | CA | HA1 | 13.4° | 66.1° |
| OA2 | CAC | OA1 | H39 | 180.0° | 167.5° |
| O2B | C2B | C1B | H5 | 119.4° | 122.5° |
| O2B | C2B | C1B | O4B | 141.1° | 116.7° |
| O2B | C2B | C1B | N9A | 96.7° | 123.8° |
| O2B | C2B | C1B | H3 | 22.4° | 2.8° |
| O2B | C2B | C3B | H8 | 122.0° | 102.2° |
| C7P | N8P | C9P | H31 | 180.0° | 179.9° |
| C7P | N8P | C9P | CAP | 179.4° | 176.9° |
| C7P | N8P | C9P | O9P | 0.5° | 3.1° |
| N8P | C7P | C6P | H14 | 51.8° | 60.0° |
| N8P | C7P | C6P | H15 | 67.0° | 60.0° |
| N8P | C7P | H16 | H17 | 119.5° | 120.0° |
| CBP | CCP | O6A | H20 | 119.6° | 120.0° |
| CBP | CCP | O6A | H21 | 119.5° | 120.0° |
| CCP | CBP | CAP | CEP | 117.4° | 120.0° |
| CCP | CBP | CAP | OAP | 30.1° | 60.4° |
| CCP | CBP | CAP | C9P | 150.5° | 59.6° |
| CBP | CCP | O6A | P2A | 123.4° | 180.0° |
| CCP | CBP | CAP | H19 | 89.5° | 179.6° |
| CBP | CCP | H20 | H21 | 121.2° | 120.0° |
| CCP | CBP | CDP | H22 | 180.0° | 175.6° |
| CCP | CBP | CDP | H23 | 60.0° | 55.6° |
| CCP | CBP | CDP | H24 | 60.0° | 64.4° |
| CCP | CBP | CEP | H25 | 62.5° | 53.8° |
| CCP | CBP | CEP | H26 | 177.6° | 66.2° |
| CCP | CBP | CEP | H27 | 57.6° | 173.7° |
| O6A | CCP | CBP | CAP | 97.8° | 180.0° |
| O6A | CCP | CBP | CEP | 21.1° | 59.9° |
| CCP | O6A | P2A | O5A | 34.8° | 55.1° |
| CCP | O6A | P2A | O3A | 156.4° | 175.0° |
| CCP | O6A | P2A | O4A | 86.1° | 64.9° |
| O6A | CCP | H20 | H21 | 121.3° | 120.0° |
| N8P | C9P | CAP | CBP | 102.4° | 74.2° |
| N8P | C9P | CAP | OAP | 18.8° | 165.7° |
| N8P | C9P | CAP | O9P | 178.9° | 180.0° |
| C9P | N8P | C7P | H16 | 104.6° | 60.0° |
| C9P | N8P | C7P | H17 | 15.0° | 60.0° |
| N8P | C9P | CAP | H19 | 137.7° | 45.8° |
| C4B | C5B | O5B | H12 | 120.3° | 120.0° |
| C4B | C5B | O5B | H13 | 120.3° | 120.0° |
| C5B | C4B | O4B | H11 | 126.2° | 123.0° |
| C4B | C5B | O5B | P1A | 146.4° | 180.0° |
| C5B | C4B | O4B | C1B | 85.4° | 158.6° |
| C5B | C4B | C3B | H8 | 135.2° | 86.3° |
| C4B | C5B | H12 | H13 | 119.0° | 120.0° |
| O5B | C5B | C4B | O4B | 18.7° | 70.9° |
| C5B | O5B | P1A | O2A | 15.8° | 55.0° |
| C5B | O5B | P1A | O3A | 139.2° | 175.0° |
| C5B | O5B | P1A | O1A | 104.1° | 65.0° |
| O5B | C5B | C4B | H11 | 106.3° | 52.1° |
| O5B | C5B | H12 | H13 | 119.0° | 120.0° |
| S1P | CAC | OA1 | CA | 118.2° | 120.0° |
| S1P | CAC | CA | CB | 106.1° | 66.1° |
| S1P | CAC | CA | HA2 | 14.1° | 174.0° |
| S1P | CAC | CA | HA1 | 133.7° | 53.9° |
| CAC | S1P | C2P | H6 | 25.3° | 60.0° |
| CAC | S1P | C2P | H7 | 94.5° | 60.0° |
| S1P | CAC | OA1 | H39 | 59.7° | 47.4° |
| C2B | C1B | O4B | C4B | 32.1° | 26.6° |
| C2B | C1B | O4B | N9A | 122.5° | 119.5° |
| C2B | C1B | O4B | H3 | 115.4° | 119.5° |
| C2B | C1B | N9A | H3 | 117.4° | 121.0° |
| C2B | C1B | N9A | C4A | 33.5° | 85.4° |
| C2B | C1B | N9A | C8A | 146.5° | 94.8° |
| C1B | C2B | C3B | H8 | 119.8° | 139.1° |
| C1B | C2B | O2B | H34 | 63.1° | 61.5° |
| C4B | O4B | C1B | N9A | 154.6° | 92.9° |
| C4B | O4B | C1B | H3 | 83.4° | 146.1° |
| O4B | C4B | C3B | H8 | 104.8° | 155.2° |
| O4B | C4B | C5B | H12 | 139.0° | 169.1° |
| O4B | C4B | C5B | H13 | 101.6° | 49.0° |
| O2A | P1A | O5B | O3A | 123.4° | 120.0° |
| O2A | P1A | O5B | O1A | 119.8° | 120.0° |
| O2A | P1A | O3A | O1A | 116.9° | 120.0° |
| O2A | P1A | O3A | P2A | 53.1° | 45.0° |
| O2A | P1A | O1A | H33 | 0.0° | 180.0° |
| CBP | CAP | OAP | C9P | 124.3° | 120.0° |
| CBP | CAP | OAP | H19 | 118.1° | 120.0° |
| CBP | CAP | C9P | H19 | 119.8° | 120.0° |
| CBP | CAP | C9P | O9P | 78.6° | 105.8° |
| CAP | CBP | CCP | H20 | 142.6° | 60.0° |
| CAP | CBP | CCP | H21 | 21.8° | 60.0° |
| CAP | CBP | CDP | H22 | 60.9° | 64.3° |
| CAP | CBP | CDP | H23 | 59.1° | 175.6° |
| CAP | CBP | CDP | H24 | 179.1° | 55.6° |
| CAP | CBP | CEP | H25 | 55.0° | 66.3° |
| CAP | CBP | CEP | H26 | 65.0° | 173.7° |
| CAP | CBP | CEP | H27 | 175.0° | 53.7° |
| CBP | CAP | OAP | H40 | 180.0° | 60.0° |
| CEP | CBP | CAP | OAP | 147.5° | 179.6° |
| CEP | CBP | CAP | C9P | 92.1° | 60.4° |
| CEP | CBP | CAP | H19 | 27.9° | 59.6° |
| CEP | CBP | CCP | H20 | 98.5° | 60.0° |
| CEP | CBP | CCP | H21 | 140.6° | 180.0° |
| CEP | CBP | CDP | H22 | 62.6° | 55.7° |
| CEP | CBP | CDP | H23 | 177.4° | 64.4° |
| CEP | CBP | CDP | H24 | 57.4° | 175.6° |
| CBP | CEP | H25 | H26 | 120.0° | 120.0° |
| CBP | CEP | H25 | H27 | 120.0° | 120.0° |
| CBP | CEP | H26 | H27 | 120.0° | 120.0° |
| OAP | CAP | C9P | H19 | 119.0° | 120.0° |
| OAP | CAP | C9P | O9P | 160.1° | 14.3° |
| OA1 | CAC | CA | CB | 15.1° | 54.0° |
| OA1 | CAC | CA | HA2 | 135.2° | 66.0° |
| OA1 | CAC | CA | HA1 | 105.1° | 173.9° |
| CAC | CA | CB | HA2 | 120.2° | 120.0° |
| CAC | CA | CB | HA1 | 120.2° | 120.0° |
| CAC | CA | CB | OHB | 33.2° | 58.7° |
| CAC | CA | CB | CG | 89.9° | 178.7° |
| CAC | CA | CB | CBC | 148.8° | 61.3° |
| CAC | CA | HA2 | HA1 | 119.5° | 120.1° |
| CA | CAC | OA1 | H39 | 58.5° | 72.6° |
| O5A | P2A | O6A | O3A | 121.6° | 120.0° |
| O5A | P2A | O6A | O4A | 120.9° | 120.0° |
| O5A | P2A | O3A | P1A | 37.3° | 45.0° |
| O5A | P2A | O3A | O4A | 117.7° | 120.0° |
| O5A | P2A | O4A | H36 | 0.0° | 180.0° |
| CAP | C9P | N8P | H31 | 0.6° | 3.1° |
| C9P | CAP | OAP | H40 | 55.7° | 60.0° |
| O9P | C9P | CAP | H19 | 41.2° | 134.2° |
| O9P | C9P | N8P | H31 | 179.5° | 176.9° |
| O6A | P2A | O3A | P1A | 84.4° | 165.0° |
| O6A | P2A | O3A | O4A | 120.5° | 120.0° |
| P2A | O6A | CCP | H20 | 117.0° | 60.1° |
| P2A | O6A | CCP | H21 | 3.8° | 60.0° |
| O6A | P2A | O4A | H36 | 122.5° | 60.0° |
| O5B | P1A | O3A | O1A | 119.3° | 120.0° |
| O5B | P1A | O3A | P2A | 70.7° | 165.0° |
| P1A | O5B | C5B | H12 | 93.3° | 60.0° |
| P1A | O5B | C5B | H13 | 26.1° | 60.0° |
| O5B | P1A | O1A | H33 | 121.6° | 60.0° |
| N3A | C2A | N1A | H4 | 180.0° | 179.8° |
| C2A | N3A | C4A | N9A | 179.7° | 179.9° |
| C2A | N3A | C4A | C5A | 0.3° | 0.0° |
| N3A | C2A | N1A | C6A | 0.3° | 0.3° |
| N3A | C4A | N9A | C1B | 0.3° | 0.1° |
| C4A | N3A | C2A | N1A | 0.4° | 0.0° |
| N3A | C4A | N9A | C5A | 180.0° | 179.9° |
| N3A | C4A | N9A | C8A | 179.7° | 180.0° |
| N3A | C4A | C5A | C6A | 0.2° | 0.3° |
| N3A | C4A | C5A | N7A | 179.7° | 180.0° |
| C4A | N3A | C2A | H4 | 179.6° | 179.8° |
| P1A | O3A | P2A | O4A | 155.1° | 75.0° |
| O3A | P1A | O1A | H33 | 118.4° | 60.0° |
| O1A | P1A | O3A | P2A | 170.0° | 75.0° |
| O4B | C1B | N9A | H3 | 123.3° | 121.0° |
| O4B | C1B | N9A | C4A | 85.8° | 156.6° |
| O4B | C1B | N9A | C8A | 94.2° | 23.2° |
| O4B | C1B | C2B | H5 | 99.5° | 120.8° |
| C1B | O4B | C4B | H11 | 148.4° | 78.5° |
| C1B | N9A | C4A | C8A | 180.0° | 179.9° |
| C1B | N9A | C4A | C5A | 179.7° | 179.9° |
| C1B | N9A | C8A | N7A | 179.8° | 179.9° |
| N9A | C1B | C2B | H5 | 22.7° | 1.3° |
| C1B | N9A | C8A | H18 | 0.2° | 0.1° |
| C2A | N1A | C6A | C5A | 0.1° | 0.5° |
| C2A | N1A | C6A | N6A | 179.7° | 180.0° |
| O3A | P2A | O4A | H36 | 119.6° | 60.0° |
| CA | CB | OHB | CG | 122.8° | 120.0° |
| CA | CB | OHB | CBC | 118.0° | 120.0° |
| CA | CB | CG | CBC | 121.0° | 120.0° |
| CA | CB | CG | CGC | 146.2° | 175.0° |
| CA | CB | CBC | OB2 | 49.9° | 120.0° |
| CA | CB | CBC | OB1 | 130.1° | 60.0° |
| CB | CA | HA2 | HA1 | 119.4° | 120.0° |
| CA | CB | CG | HG2 | 93.6° | 55.0° |
| CA | CB | CG | HG1 | 26.0° | 65.0° |
| CA | CB | OHB | HOB | 128.4° | 55.5° |
| N9A | C4A | C5A | C6A | 179.8° | 179.8° |
| N9A | C4A | C5A | N7A | 0.3° | 0.1° |
| C4A | N9A | C8A | N7A | 0.2° | 0.0° |
| C4A | N9A | C1B | H3 | 150.9° | 35.6° |
| C4A | N9A | C8A | H18 | 179.7° | 180.0° |
| C5A | C4A | N9A | C8A | 0.3° | 0.1° |
| C4A | C5A | C6A | N1A | 0.1° | 0.5° |
| C4A | C5A | C6A | N7A | 179.9° | 179.6° |
| C4A | C5A | N7A | C8A | 0.1° | 0.0° |
| C4A | C5A | C6A | N6A | 179.7° | 180.0° |
| N9A | C8A | N7A | C5A | 0.1° | 0.0° |
| N9A | C8A | N7A | H18 | 180.0° | 179.9° |
| C8A | N9A | C1B | H3 | 29.1° | 144.2° |
| N1A | C6A | C5A | N6A | 179.6° | 179.5° |
| N1A | C6A | C5A | N7A | 179.8° | 179.9° |
| C6A | N1A | C2A | H4 | 179.7° | 180.0° |
| N1A | C6A | N6A | H29 | 0.0° | 179.5° |
| N1A | C6A | N6A | H30 | 120.0° | 0.5° |
| OHB | CB | CG | CBC | 116.7° | 120.0° |
| OHB | CB | CG | CGC | 23.9° | 65.0° |
| OHB | CB | CBC | OB2 | 168.2° | 0.0° |
| OHB | CB | CBC | OB1 | 11.7° | 180.0° |
| OHB | CB | CA | HA2 | 87.0° | 61.2° |
| OHB | CB | CA | HA1 | 153.4° | 178.7° |
| OHB | CB | CG | HG2 | 144.0° | 175.0° |
| OHB | CB | CG | HG1 | 96.3° | 55.0° |
| CB | CG | CGC | HG2 | 120.2° | 120.0° |
| CB | CG | CGC | HG1 | 120.2° | 120.0° |
| CB | CG | CGC | OG2 | 44.3° | 0.0° |
| CG | CB | CBC | OB2 | 71.7° | 120.0° |
| CG | CB | CBC | OB1 | 108.3° | 60.0° |
| CB | CG | CGC | OG1 | 136.0° | 180.0° |
| CG | CB | CA | HA2 | 149.9° | 58.8° |
| CG | CB | CA | HA1 | 30.3° | 61.2° |
| CB | CG | HG2 | HG1 | 119.5° | 120.1° |
| CG | CB | OHB | HOB | 5.6° | 64.5° |
| CBC | CB | CG | CGC | 92.8° | 55.0° |
| CB | CBC | OB2 | OB1 | 180.0° | 180.0° |
| CBC | CB | CA | HA2 | 28.7° | 178.8° |
| CBC | CB | CA | HA1 | 91.0° | 58.7° |
| CB | CBC | OB1 | H1 | 180.0° | 179.9° |
| CBC | CB | CG | HG2 | 27.4° | 65.0° |
| CBC | CB | CG | HG1 | 147.0° | 175.0° |
| CBC | CB | OHB | HOB | 113.6° | 175.5° |
| C6A | C5A | N7A | C8A | 180.0° | 179.7° |
| C5A | C6A | N6A | H29 | 179.6° | 0.0° |
| C5A | C6A | N6A | H30 | 59.5° | 180.0° |
| N7A | C5A | C6A | N6A | 0.2° | 0.4° |
| C5A | N7A | C8A | H18 | 179.9° | 180.0° |
| CG | CGC | OG2 | OG1 | 179.7° | 180.0° |
| CGC | CG | HG2 | HG1 | 119.5° | 119.9° |
| CG | CGC | OG1 | H2 | 179.7° | 179.9° |
| OG2 | CGC | CG | HG2 | 164.5° | 120.0° |
| OG2 | CGC | CG | HG1 | 75.9° | 120.1° |
| OG2 | CGC | OG1 | H2 | 0.0° | 0.0° |
| C6A | N6A | H29 | H30 | 120.0° | 180.0° |
| OB2 | CBC | OB1 | H1 | 0.0° | 0.0° |
| OG1 | CGC | CG | HG2 | 15.8° | 60.0° |
| OG1 | CGC | CG | HG1 | 103.8° | 59.9° |
| H3 | C1B | C2B | H5 | 141.7° | 119.7° |
| H5 | C2B | C3B | H8 | 1.5° | 20.4° |
| H5 | C2B | O2B | H34 | 54.6° | 61.1° |
| H6 | C2P | C3P | H9 | 110.7° | 60.0° |
| H6 | C2P | C3P | H10 | 131.0° | 180.0° |
| H7 | C2P | C3P | H9 | 129.5° | 180.0° |
| H7 | C2P | C3P | H10 | 11.2° | 60.0° |
| H8 | C3B | C4B | H11 | 12.3° | 36.6° |
| H9 | C3P | N4P | H28 | 17.4° | 120.0° |
| H10 | C3P | N4P | H28 | 101.0° | 120.0° |
| H11 | C4B | C5B | H12 | 14.0° | 68.0° |
| H11 | C4B | C5B | H13 | 133.4° | 172.0° |
| H14 | C6P | C7P | H16 | 172.0° | 179.9° |
| H14 | C6P | C7P | H17 | 68.4° | 60.0° |
| H15 | C6P | C7P | H16 | 53.2° | 60.1° |
| H15 | C6P | C7P | H17 | 172.8° | 180.0° |
| H16 | C7P | N8P | H31 | 75.4° | 120.0° |
| H17 | C7P | N8P | H31 | 165.0° | 120.0° |
| H19 | CAP | OAP | H40 | 61.9° | 180.0° |
| H22 | CDP | H23 | H24 | 120.0° | 120.0° |
| H25 | CEP | H26 | H27 | 120.0° | 120.0° |
