CQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C3 | sing | 1.43Å | 1.39Å | |
| O3 | C4 | doub | 1.21Å | 1.29Å | |
| C6 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.34Å | 1.25Å | |
| O2 | C1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | S1P | sing | 1.71Å | 1.82Å | |
| C2P | C3P | sing | 1.53Å | 1.51Å | |
| C2P | S1P | sing | 1.81Å | 1.80Å | |
| C3P | N4P | sing | 1.46Å | 1.46Å | |
| O5P | C5P | doub | 1.21Å | 1.21Å | |
| N4P | C5P | sing | 1.35Å | 1.44Å | |
| C5P | C6P | sing | 1.51Å | 1.50Å | |
| C6P | C7P | sing | 1.53Å | 1.54Å | |
| C7P | N8P | sing | 1.47Å | 1.43Å | |
| N1A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| N1A | C6A | doub | 1.33Å | 1.34Å | Aromatic |
| N6A | C6A | sing | 1.38Å | 1.45Å | |
| C2A | N3A | doub | 1.32Å | 1.33Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.39Å | Aromatic |
| O9P | C9P | doub | 1.21Å | 1.21Å | |
| N8P | C9P | sing | 1.35Å | 1.45Å | |
| C9P | CAP | sing | 1.51Å | 1.52Å | |
| N3A | C4A | sing | 1.33Å | 1.34Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.40Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.35Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.34Å | Aromatic |
| CAP | OAP | sing | 1.43Å | 1.41Å | |
| CAP | CBP | sing | 1.53Å | 1.51Å | |
| CDP | CBP | sing | 1.53Å | 1.50Å | |
| N7A | C8A | doub | 1.30Å | 1.34Å | Aromatic |
| CEP | CBP | sing | 1.53Å | 1.55Å | |
| CBP | CCP | sing | 1.53Å | 1.49Å | |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
| N9A | C1B | sing | 1.46Å | 1.47Å | |
| O2B | C2B | sing | 1.43Å | 1.39Å | |
| C1B | C2B | sing | 1.55Å | 1.47Å | |
| C1B | O4B | sing | 1.44Å | 1.38Å | |
| C2B | C3B | sing | 1.55Å | 1.40Å | |
| CCP | O6A | sing | 1.43Å | 1.40Å | |
| O6A | P2A | sing | 1.61Å | 1.59Å | |
| O4B | C4B | sing | 1.44Å | 1.38Å | |
| O3B | C3B | sing | 1.43Å | 1.40Å | |
| O3B | P3B | sing | 1.61Å | 1.60Å | |
| C3B | C4B | sing | 1.54Å | 1.47Å | |
| O5A | P2A | doub | 1.48Å | 1.50Å | |
| O7A | P3B | doub | 1.48Å | 1.52Å | |
| P2A | O3A | sing | 1.61Å | 1.57Å | |
| P2A | O4A | sing | 1.61Å | 1.52Å | |
| C4B | C5B | sing | 1.53Å | 1.53Å | |
| O3A | P1A | sing | 1.61Å | 1.57Å | |
| P3B | O8A | sing | 1.61Å | 1.52Å | |
| P3B | O9A | sing | 1.61Å | 1.52Å | |
| O5B | C5B | sing | 1.43Å | 1.39Å | |
| O5B | P1A | sing | 1.61Å | 1.57Å | |
| P1A | O1A | doub | 1.48Å | 1.52Å | |
| P1A | O2A | sing | 1.61Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| O4A | H6 | sing | 0.97Å | 0.95Å | |
| O2A | H7 | sing | 0.97Å | 0.95Å | |
| C5B | H8 | sing | 1.09Å | 1.10Å | |
| C5B | H9 | sing | 1.09Å | 1.10Å | |
| C4B | H10 | sing | 1.09Å | 1.10Å | |
| C3B | H11 | sing | 1.09Å | 1.10Å | |
| C2B | H12 | sing | 1.09Å | 1.10Å | |
| O2B | H13 | sing | 0.97Å | 0.95Å | |
| C1B | H14 | sing | 1.09Å | 1.10Å | |
| O8A | H15 | sing | 0.97Å | 0.95Å | |
| O9A | H16 | sing | 0.97Å | 0.95Å | |
| C2A | H17 | sing | 1.08Å | 1.08Å | |
| C8A | H18 | sing | 1.08Å | 1.08Å | |
| N6A | H19 | sing | 0.97Å | 1.00Å | |
| N6A | H20 | sing | 0.97Å | 1.00Å | |
| CCP | H21 | sing | 1.09Å | 1.10Å | |
| CCP | H22 | sing | 1.09Å | 1.10Å | |
| CDP | H23 | sing | 1.09Å | 1.10Å | |
| CDP | H24 | sing | 1.09Å | 1.10Å | |
| CDP | H25 | sing | 1.09Å | 1.10Å | |
| CEP | H26 | sing | 1.09Å | 1.10Å | |
| CEP | H27 | sing | 1.09Å | 1.10Å | |
| CEP | H28 | sing | 1.09Å | 1.10Å | |
| CAP | H29 | sing | 1.09Å | 1.10Å | |
| OAP | H30 | sing | 0.97Å | 0.95Å | |
| N8P | H31 | sing | 0.97Å | 1.00Å | |
| C7P | H32 | sing | 1.09Å | 1.10Å | |
| C7P | H33 | sing | 1.09Å | 1.10Å | |
| C6P | H34 | sing | 1.09Å | 1.10Å | |
| C6P | H35 | sing | 1.09Å | 1.10Å | |
| N4P | H36 | sing | 0.97Å | 1.00Å | |
| C3P | H37 | sing | 1.09Å | 1.10Å | |
| C3P | H38 | sing | 1.09Å | 1.10Å | |
| C2P | H39 | sing | 1.09Å | 1.10Å | |
| C2P | H40 | sing | 1.09Å | 1.10Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C3 | C6 | 109.2° | 109.5° |
| O7 | C3 | C4 | 107.9° | 109.5° |
| O7 | C3 | C2 | 114.4° | 109.5° |
| C3 | O7 | H41 | 109.5° | 114.0° |
| O3 | C4 | C3 | 121.8° | 120.0° |
| O3 | C4 | O4 | 120.6° | 120.0° |
| C6 | C3 | C4 | 115.3° | 109.4° |
| C6 | C3 | C2 | 106.7° | 109.5° |
| C3 | C6 | H3 | 109.5° | 109.5° |
| C3 | C6 | H4 | 109.5° | 109.4° |
| C3 | C6 | H5 | 109.4° | 109.5° |
| C4 | C3 | C2 | 103.3° | 109.5° |
| C3 | C4 | O4 | 117.6° | 120.0° |
| C3 | C2 | C1 | 119.2° | 109.5° |
| C3 | C2 | H1 | 107.0° | 109.5° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C4 | O4 | H42 | 109.5° | 117.0° |
| O2 | C1 | C2 | 118.9° | 120.0° |
| O2 | C1 | S1P | 122.2° | 120.0° |
| C2 | C1 | S1P | 118.9° | 120.0° |
| C1 | C2 | H1 | 107.0° | 109.5° |
| C1 | C2 | H2 | 107.0° | 109.4° |
| C1 | S1P | C2P | 103.9° | 100.0° |
| C3P | C2P | S1P | 115.3° | 109.4° |
| C2P | C3P | N4P | 112.1° | 109.5° |
| C2P | C3P | H37 | 108.8° | 109.5° |
| C2P | C3P | H38 | 108.8° | 109.5° |
| C3P | C2P | H39 | 108.0° | 109.4° |
| C3P | C2P | H40 | 108.0° | 109.4° |
| S1P | C2P | H39 | 108.0° | 109.5° |
| S1P | C2P | H40 | 108.0° | 109.5° |
| C3P | N4P | C5P | 119.1° | 120.0° |
| C3P | N4P | H36 | 120.5° | 120.0° |
| N4P | C3P | H37 | 108.8° | 109.5° |
| N4P | C3P | H38 | 108.8° | 109.5° |
| O5P | C5P | N4P | 121.3° | 120.0° |
| O5P | C5P | C6P | 120.0° | 120.0° |
| N4P | C5P | C6P | 118.7° | 120.0° |
| C5P | N4P | H36 | 120.4° | 120.0° |
| C5P | C6P | C7P | 114.9° | 109.4° |
| C5P | C6P | H34 | 108.1° | 109.5° |
| C5P | C6P | H35 | 108.1° | 109.4° |
| C6P | C7P | N8P | 114.7° | 109.4° |
| C6P | C7P | H32 | 108.1° | 109.5° |
| C6P | C7P | H33 | 108.2° | 109.4° |
| C7P | C6P | H34 | 108.1° | 109.5° |
| C7P | C6P | H35 | 108.1° | 109.4° |
| C7P | N8P | C9P | 121.0° | 120.0° |
| C7P | N8P | H31 | 119.5° | 120.0° |
| N8P | C7P | H32 | 108.2° | 109.5° |
| N8P | C7P | H33 | 108.1° | 109.4° |
| C2A | N1A | C6A | 121.4° | 121.2° |
| N1A | C2A | N3A | 121.5° | 122.4° |
| N1A | C2A | H17 | 119.2° | 118.8° |
| N1A | C6A | N6A | 120.8° | 120.8° |
| N1A | C6A | C5A | 118.6° | 118.5° |
| N6A | C6A | C5A | 120.6° | 120.8° |
| C6A | N6A | H19 | 109.5° | 120.0° |
| C6A | N6A | H20 | 109.4° | 120.0° |
| C2A | N3A | C4A | 119.8° | 120.6° |
| N3A | C2A | H17 | 119.3° | 118.8° |
| C6A | C5A | C4A | 118.6° | 118.1° |
| C6A | C5A | N7A | 134.0° | 134.7° |
| O9P | C9P | N8P | 120.4° | 120.0° |
| O9P | C9P | CAP | 120.6° | 120.0° |
| N8P | C9P | CAP | 119.0° | 120.0° |
| C9P | N8P | H31 | 119.5° | 120.1° |
| C9P | CAP | OAP | 106.4° | 109.5° |
| C9P | CAP | CBP | 111.6° | 109.5° |
| C9P | CAP | H29 | 108.5° | 109.5° |
| N3A | C4A | C5A | 120.2° | 119.1° |
| N3A | C4A | N9A | 132.9° | 134.9° |
| C4A | C5A | N7A | 107.4° | 107.1° |
| C5A | C4A | N9A | 106.9° | 106.0° |
| C5A | N7A | C8A | 108.1° | 109.5° |
| C4A | N9A | C8A | 108.5° | 107.4° |
| C4A | N9A | C1B | 125.0° | 126.3° |
| OAP | CAP | CBP | 111.6° | 109.5° |
| OAP | CAP | H29 | 110.1° | 109.4° |
| CAP | OAP | H30 | 109.5° | 114.0° |
| CAP | CBP | CDP | 109.8° | 109.5° |
| CAP | CBP | CEP | 111.6° | 109.5° |
| CAP | CBP | CCP | 106.9° | 109.5° |
| CBP | CAP | H29 | 108.6° | 109.5° |
| CDP | CBP | CEP | 109.5° | 109.5° |
| CDP | CBP | CCP | 108.1° | 109.4° |
| CBP | CDP | H23 | 109.5° | 109.5° |
| CBP | CDP | H24 | 109.5° | 109.5° |
| CBP | CDP | H25 | 109.5° | 109.5° |
| N7A | C8A | N9A | 109.0° | 110.0° |
| N7A | C8A | H18 | 125.5° | 125.0° |
| CEP | CBP | CCP | 110.8° | 109.5° |
| CBP | CEP | H26 | 109.5° | 109.4° |
| CBP | CEP | H27 | 109.4° | 109.5° |
| CBP | CEP | H28 | 109.4° | 109.5° |
| CBP | CCP | O6A | 112.8° | 109.5° |
| CBP | CCP | H21 | 108.6° | 109.4° |
| CBP | CCP | H22 | 108.6° | 109.5° |
| C8A | N9A | C1B | 126.4° | 126.3° |
| N9A | C8A | H18 | 125.5° | 125.0° |
| N9A | C1B | C2B | 119.1° | 110.6° |
| N9A | C1B | O4B | 117.9° | 110.7° |
| N9A | C1B | H14 | 103.2° | 110.7° |
| O2B | C2B | C1B | 119.2° | 111.0° |
| O2B | C2B | C3B | 111.7° | 110.9° |
| O2B | C2B | H12 | 107.2° | 110.8° |
| C2B | O2B | H13 | 109.5° | 114.0° |
| C2B | C1B | O4B | 107.1° | 103.5° |
| C1B | C2B | C3B | 104.6° | 102.0° |
| C1B | C2B | H12 | 106.3° | 110.9° |
| C2B | C1B | H14 | 103.2° | 110.6° |
| C1B | O4B | C4B | 109.5° | 107.0° |
| O4B | C1B | H14 | 104.1° | 110.6° |
| C2B | C3B | O3B | 109.9° | 110.6° |
| C2B | C3B | C4B | 105.0° | 104.2° |
| C2B | C3B | H11 | 111.0° | 110.5° |
| C3B | C2B | H12 | 107.1° | 110.9° |
| CCP | O6A | P2A | 120.7° | 123.0° |
| O6A | CCP | H21 | 108.6° | 109.4° |
| O6A | CCP | H22 | 108.6° | 109.5° |
| O6A | P2A | O5A | 107.6° | 109.4° |
| O6A | P2A | O3A | 105.4° | 109.5° |
| O6A | P2A | O4A | 107.7° | 109.5° |
| O4B | C4B | C3B | 105.7° | 107.4° |
| O4B | C4B | C5B | 107.2° | 109.9° |
| O4B | C4B | H10 | 111.7° | 109.9° |
| C3B | O3B | P3B | 121.1° | 123.0° |
| O3B | C3B | C4B | 110.0° | 110.5° |
| O3B | C3B | H11 | 110.9° | 110.4° |
| O3B | P3B | O7A | 107.9° | 109.5° |
| O3B | P3B | O8A | 109.8° | 109.4° |
| O3B | P3B | O9A | 109.9° | 109.5° |
| C3B | C4B | C5B | 112.4° | 109.9° |
| C3B | C4B | H10 | 110.3° | 109.9° |
| C4B | C3B | H11 | 109.9° | 110.5° |
| O5A | P2A | O3A | 113.7° | 109.5° |
| O5A | P2A | O4A | 112.7° | 109.5° |
| O7A | P3B | O8A | 110.0° | 109.5° |
| O7A | P3B | O9A | 110.5° | 109.5° |
| O3A | P2A | O4A | 109.2° | 109.5° |
| P2A | O3A | P1A | 127.8° | 134.0° |
| P2A | O4A | H6 | 109.5° | 114.0° |
| C4B | C5B | O5B | 116.2° | 109.5° |
| C4B | C5B | H8 | 107.8° | 109.4° |
| C4B | C5B | H9 | 107.8° | 109.5° |
| C5B | C4B | H10 | 109.5° | 109.8° |
| O3A | P1A | O5B | 109.1° | 109.5° |
| O3A | P1A | O1A | 106.4° | 109.4° |
| O3A | P1A | O2A | 112.0° | 109.5° |
| O8A | P3B | O9A | 108.6° | 109.5° |
| P3B | O8A | H15 | 109.5° | 114.0° |
| P3B | O9A | H16 | 109.5° | 114.0° |
| C5B | O5B | P1A | 120.9° | 123.0° |
| O5B | C5B | H8 | 107.8° | 109.5° |
| O5B | C5B | H9 | 107.8° | 109.5° |
| O5B | P1A | O1A | 108.4° | 109.4° |
| O5B | P1A | O2A | 110.1° | 109.5° |
| O1A | P1A | O2A | 110.7° | 109.5° |
| P1A | O2A | H7 | 109.5° | 114.1° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H8 | C5B | H9 | 109.5° | 109.5° |
| H19 | N6A | H20 | 109.5° | 120.0° |
| H21 | CCP | H22 | 109.5° | 109.5° |
| H23 | CDP | H24 | 109.5° | 109.5° |
| H23 | CDP | H25 | 109.5° | 109.5° |
| H24 | CDP | H25 | 109.5° | 109.5° |
| H26 | CEP | H27 | 109.5° | 109.5° |
| H26 | CEP | H28 | 109.5° | 109.4° |
| H27 | CEP | H28 | 109.5° | 109.5° |
| H32 | C7P | H33 | 109.5° | 109.6° |
| H34 | C6P | H35 | 109.5° | 109.5° |
| H37 | C3P | H38 | 109.5° | 109.5° |
| H39 | C2P | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C3 | C4 | O3 | 14.9° | 145.0° |
| O7 | C3 | C6 | C4 | 121.7° | 120.0° |
| O7 | C3 | C6 | C2 | 124.2° | 120.1° |
| O7 | C3 | C4 | C2 | 121.5° | 120.0° |
| O7 | C3 | C4 | O4 | 166.3° | 35.0° |
| O7 | C3 | C2 | C1 | 35.0° | 60.0° |
| O7 | C3 | C2 | H1 | 86.4° | 180.0° |
| O7 | C3 | C2 | H2 | 156.4° | 60.0° |
| O7 | C3 | C6 | H3 | 180.0° | 59.9° |
| O7 | C3 | C6 | H4 | 60.0° | 60.1° |
| O7 | C3 | C6 | H5 | 60.0° | 180.0° |
| O3 | C4 | C3 | C6 | 137.3° | 95.0° |
| O3 | C4 | C3 | O4 | 178.8° | 180.0° |
| O3 | C4 | C3 | C2 | 106.6° | 25.0° |
| O3 | C4 | O4 | H42 | 0.0° | 0.0° |
| C6 | C3 | C4 | C2 | 116.1° | 120.0° |
| C6 | C3 | C4 | O4 | 43.9° | 85.0° |
| C6 | C3 | C2 | C1 | 85.9° | 60.0° |
| C6 | C3 | C2 | H1 | 152.7° | 60.0° |
| C6 | C3 | C2 | H2 | 35.5° | 180.0° |
| C3 | C6 | H3 | H4 | 120.0° | 119.9° |
| C3 | C6 | H3 | H5 | 120.0° | 120.0° |
| C3 | C6 | H4 | H5 | 120.0° | 119.9° |
| C6 | C3 | O7 | H41 | 132.7° | 180.0° |
| C4 | C3 | C2 | C1 | 152.1° | 180.0° |
| C4 | C3 | C2 | H1 | 30.6° | 60.0° |
| C4 | C3 | C2 | H2 | 86.6° | 60.0° |
| C4 | C3 | C6 | H3 | 58.3° | 60.0° |
| C4 | C3 | C6 | H4 | 61.7° | 180.0° |
| C4 | C3 | C6 | H5 | 178.3° | 60.1° |
| C4 | C3 | O7 | H41 | 6.6° | 60.0° |
| C3 | C4 | O4 | H42 | 178.8° | 180.0° |
| C2 | C3 | C4 | O4 | 72.2° | 155.0° |
| C3 | C2 | C1 | O2 | 60.0° | 0.0° |
| C3 | C2 | C1 | H1 | 121.4° | 120.1° |
| C3 | C2 | C1 | H2 | 121.3° | 120.0° |
| C3 | C2 | C1 | S1P | 119.9° | 180.0° |
| C3 | C2 | H1 | H2 | 115.6° | 120.0° |
| C2 | C3 | C6 | H3 | 55.8° | 180.0° |
| C2 | C3 | C6 | H4 | 175.8° | 60.0° |
| C2 | C3 | C6 | H5 | 64.2° | 59.9° |
| C2 | C3 | O7 | H41 | 107.8° | 60.0° |
| O2 | C1 | C2 | S1P | 179.9° | 180.0° |
| O2 | C1 | S1P | C2P | 32.6° | 0.0° |
| O2 | C1 | C2 | H1 | 61.4° | 120.0° |
| O2 | C1 | C2 | H2 | 178.7° | 120.0° |
| C2 | C1 | S1P | C2P | 147.2° | 180.0° |
| C1 | C2 | H1 | H2 | 115.6° | 119.9° |
| C1 | S1P | C2P | C3P | 86.9° | 180.0° |
| S1P | C1 | C2 | H1 | 118.7° | 60.0° |
| S1P | C1 | C2 | H2 | 1.5° | 60.0° |
| C1 | S1P | C2P | H39 | 34.0° | 60.1° |
| C1 | S1P | C2P | H40 | 152.3° | 60.0° |
| C3P | C2P | S1P | H39 | 120.9° | 119.9° |
| C3P | C2P | S1P | H40 | 120.9° | 120.0° |
| C2P | C3P | N4P | H37 | 120.4° | 120.0° |
| C2P | C3P | N4P | H38 | 120.4° | 120.0° |
| C2P | C3P | N4P | C5P | 101.9° | 180.0° |
| C2P | C3P | N4P | H36 | 78.1° | 0.0° |
| C2P | C3P | H37 | H38 | 118.8° | 120.0° |
| C3P | C2P | H39 | H40 | 117.3° | 120.0° |
| S1P | C2P | C3P | N4P | 65.6° | 180.0° |
| S1P | C2P | C3P | H37 | 174.0° | 60.0° |
| S1P | C2P | C3P | H38 | 54.8° | 60.0° |
| S1P | C2P | H39 | H40 | 117.3° | 120.1° |
| C3P | N4P | C5P | O5P | 1.6° | 0.0° |
| C3P | N4P | C5P | H36 | 180.0° | 179.9° |
| C3P | N4P | C5P | C6P | 179.0° | 180.0° |
| N4P | C3P | H37 | H38 | 118.8° | 120.0° |
| N4P | C3P | C2P | H39 | 173.6° | 60.0° |
| N4P | C3P | C2P | H40 | 55.3° | 60.0° |
| O5P | C5P | N4P | C6P | 179.3° | 180.0° |
| O5P | C5P | C6P | C7P | 54.9° | 0.1° |
| O5P | C5P | C6P | H34 | 65.9° | 120.0° |
| O5P | C5P | C6P | H35 | 175.7° | 120.0° |
| O5P | C5P | N4P | H36 | 178.4° | 179.9° |
| N4P | C5P | C6P | C7P | 125.7° | 180.0° |
| N4P | C5P | C6P | H34 | 113.5° | 60.0° |
| N4P | C5P | C6P | H35 | 4.9° | 60.1° |
| C5P | N4P | C3P | H37 | 18.5° | 60.0° |
| C5P | N4P | C3P | H38 | 137.7° | 60.0° |
| C5P | C6P | C7P | H34 | 120.8° | 120.0° |
| C5P | C6P | C7P | H35 | 120.8° | 119.9° |
| C5P | C6P | C7P | N8P | 174.4° | 180.0° |
| C5P | C6P | C7P | H32 | 53.6° | 60.0° |
| C5P | C6P | C7P | H33 | 64.9° | 60.1° |
| C5P | C6P | H34 | H35 | 117.5° | 120.0° |
| C6P | C5P | N4P | H36 | 1.0° | 0.0° |
| C6P | C7P | N8P | H32 | 120.7° | 120.0° |
| C6P | C7P | N8P | H33 | 120.8° | 119.9° |
| C6P | C7P | N8P | C9P | 53.3° | 180.0° |
| C6P | C7P | N8P | H31 | 126.7° | 0.0° |
| C6P | C7P | H32 | H33 | 117.6° | 120.0° |
| C7P | C6P | H34 | H35 | 117.5° | 120.0° |
| C7P | N8P | C9P | O9P | 0.2° | 4.4° |
| C7P | N8P | C9P | H31 | 180.0° | 180.0° |
| C7P | N8P | C9P | CAP | 178.7° | 175.6° |
| N8P | C7P | H32 | H33 | 117.6° | 120.0° |
| N8P | C7P | C6P | H34 | 64.8° | 60.0° |
| N8P | C7P | C6P | H35 | 53.6° | 60.1° |
| C2A | N1A | C6A | N6A | 179.6° | 180.0° |
| N1A | C2A | N3A | H17 | 180.0° | 180.0° |
| C2A | N1A | C6A | C5A | 0.3° | 0.0° |
| N1A | C2A | N3A | C4A | 0.2° | 0.0° |
| N1A | C6A | N6A | C5A | 179.9° | 180.0° |
| C6A | N1A | C2A | N3A | 0.5° | 0.0° |
| N1A | C6A | C5A | C4A | 0.1° | 0.0° |
| N1A | C6A | C5A | N7A | 180.0° | 180.0° |
| C6A | N1A | C2A | H17 | 179.5° | 180.0° |
| N1A | C6A | N6A | H19 | 0.0° | 0.0° |
| N1A | C6A | N6A | H20 | 120.0° | 180.0° |
| N6A | C6A | C5A | C4A | 180.0° | 180.0° |
| N6A | C6A | C5A | N7A | 0.1° | 0.0° |
| C6A | N6A | H19 | H20 | 120.0° | 180.0° |
| C2A | N3A | C4A | C5A | 0.2° | 0.0° |
| C2A | N3A | C4A | N9A | 179.5° | 180.0° |
| C6A | C5A | C4A | N3A | 0.3° | 0.0° |
| C6A | C5A | C4A | N7A | 180.0° | 180.0° |
| C6A | C5A | C4A | N9A | 179.8° | 180.0° |
| C6A | C5A | N7A | C8A | 179.8° | 180.0° |
| C5A | C6A | N6A | H19 | 179.9° | 180.0° |
| C5A | C6A | N6A | H20 | 59.9° | 0.0° |
| O9P | C9P | N8P | CAP | 179.0° | 180.0° |
| O9P | C9P | CAP | OAP | 166.6° | 8.1° |
| O9P | C9P | CAP | CBP | 71.5° | 111.9° |
| O9P | C9P | CAP | H29 | 48.1° | 128.1° |
| O9P | C9P | N8P | H31 | 179.7° | 175.6° |
| N8P | C9P | CAP | OAP | 14.4° | 171.8° |
| N8P | C9P | CAP | CBP | 107.5° | 68.2° |
| N8P | C9P | CAP | H29 | 132.9° | 51.8° |
| C9P | N8P | C7P | H32 | 174.1° | 60.0° |
| C9P | N8P | C7P | H33 | 67.5° | 60.0° |
| C9P | CAP | OAP | CBP | 121.9° | 120.0° |
| C9P | CAP | OAP | H29 | 117.4° | 120.0° |
| C9P | CAP | CBP | H29 | 119.6° | 120.1° |
| C9P | CAP | CBP | CDP | 60.4° | 65.8° |
| C9P | CAP | CBP | CEP | 61.3° | 174.2° |
| C9P | CAP | CBP | CCP | 177.4° | 54.2° |
| C9P | CAP | OAP | H30 | 180.0° | 59.9° |
| CAP | C9P | N8P | H31 | 1.3° | 4.4° |
| N3A | C4A | C5A | N9A | 179.5° | 180.0° |
| N3A | C4A | C5A | N7A | 179.7° | 180.0° |
| N3A | C4A | N9A | C8A | 179.5° | 179.9° |
| N3A | C4A | N9A | C1B | 0.2° | 0.3° |
| C4A | N3A | C2A | H17 | 179.8° | 180.0° |
| C4A | C5A | N7A | C8A | 0.3° | 0.0° |
| C5A | C4A | N9A | C8A | 0.1° | 0.1° |
| C5A | C4A | N9A | C1B | 179.2° | 179.7° |
| N7A | C5A | C4A | N9A | 0.2° | 0.0° |
| C5A | N7A | C8A | N9A | 0.2° | 0.0° |
| C5A | N7A | C8A | H18 | 179.7° | 179.7° |
| C4A | N9A | C8A | N7A | 0.1° | 0.1° |
| C4A | N9A | C8A | C1B | 179.3° | 179.7° |
| C4A | N9A | C1B | C2B | 103.3° | 85.3° |
| C4A | N9A | C1B | O4B | 124.2° | 160.6° |
| C4A | N9A | C1B | H14 | 10.2° | 37.6° |
| C4A | N9A | C8A | H18 | 179.9° | 179.7° |
| OAP | CAP | CBP | H29 | 121.6° | 119.9° |
| OAP | CAP | CBP | CDP | 179.3° | 174.3° |
| OAP | CAP | CBP | CEP | 57.6° | 54.2° |
| OAP | CAP | CBP | CCP | 63.7° | 65.8° |
| CAP | CBP | CDP | CEP | 122.9° | 120.0° |
| CAP | CBP | CDP | CCP | 116.3° | 120.0° |
| CAP | CBP | CEP | CCP | 119.0° | 120.0° |
| CAP | CBP | CCP | O6A | 61.2° | 180.0° |
| CAP | CBP | CCP | H21 | 178.3° | 60.0° |
| CAP | CBP | CCP | H22 | 59.2° | 59.9° |
| CAP | CBP | CDP | H23 | 180.0° | 173.6° |
| CAP | CBP | CDP | H24 | 60.0° | 53.6° |
| CAP | CBP | CDP | H25 | 60.0° | 66.4° |
| CAP | CBP | CEP | H26 | 180.0° | 56.6° |
| CAP | CBP | CEP | H27 | 60.0° | 63.4° |
| CAP | CBP | CEP | H28 | 60.0° | 176.6° |
| CBP | CAP | OAP | H30 | 58.1° | 60.1° |
| CDP | CBP | CEP | CCP | 119.1° | 120.0° |
| CDP | CBP | CCP | O6A | 56.9° | 60.0° |
| CDP | CBP | CCP | H21 | 63.6° | 180.0° |
| CDP | CBP | CCP | H22 | 177.4° | 60.0° |
| CBP | CDP | H23 | H24 | 120.0° | 120.0° |
| CBP | CDP | H23 | H25 | 120.0° | 120.0° |
| CBP | CDP | H24 | H25 | 120.0° | 120.0° |
| CDP | CBP | CEP | H26 | 58.1° | 176.6° |
| CDP | CBP | CEP | H27 | 61.9° | 56.6° |
| CDP | CBP | CEP | H28 | 178.1° | 63.4° |
| CDP | CBP | CAP | H29 | 59.2° | 54.3° |
| N7A | C8A | N9A | H18 | 180.0° | 179.8° |
| N7A | C8A | N9A | C1B | 179.4° | 179.7° |
| CEP | CBP | CCP | O6A | 176.9° | 60.0° |
| CEP | CBP | CCP | H21 | 56.4° | 60.0° |
| CEP | CBP | CCP | H22 | 62.6° | 180.0° |
| CEP | CBP | CDP | H23 | 57.1° | 53.6° |
| CEP | CBP | CDP | H24 | 177.1° | 66.4° |
| CEP | CBP | CDP | H25 | 62.9° | 173.6° |
| CBP | CEP | H26 | H27 | 120.0° | 120.0° |
| CBP | CEP | H26 | H28 | 120.0° | 120.0° |
| CBP | CEP | H27 | H28 | 120.0° | 120.1° |
| CEP | CBP | CAP | H29 | 179.2° | 65.7° |
| CBP | CCP | O6A | H21 | 120.5° | 120.0° |
| CBP | CCP | O6A | H22 | 120.5° | 120.1° |
| CBP | CCP | O6A | P2A | 178.4° | 179.9° |
| CBP | CCP | H21 | H22 | 118.5° | 120.0° |
| CCP | CBP | CDP | H23 | 63.7° | 66.4° |
| CCP | CBP | CDP | H24 | 56.3° | 173.6° |
| CCP | CBP | CDP | H25 | 176.3° | 53.6° |
| CCP | CBP | CEP | H26 | 61.0° | 63.4° |
| CCP | CBP | CEP | H27 | 179.0° | 176.6° |
| CCP | CBP | CEP | H28 | 59.0° | 56.5° |
| CCP | CBP | CAP | H29 | 57.8° | 174.3° |
| C8A | N9A | C1B | C2B | 77.5° | 95.1° |
| C8A | N9A | C1B | O4B | 54.9° | 19.0° |
| C8A | N9A | C1B | H14 | 169.0° | 142.0° |
| N9A | C1B | C2B | O2B | 78.4° | 86.3° |
| N9A | C1B | C2B | O4B | 137.0° | 118.6° |
| N9A | C1B | C2B | H14 | 113.5° | 123.0° |
| N9A | C1B | O4B | H14 | 113.5° | 123.0° |
| N9A | C1B | C2B | C3B | 155.8° | 155.5° |
| N9A | C1B | O4B | C4B | 139.2° | 158.4° |
| N9A | C1B | C2B | H12 | 42.7° | 37.4° |
| C1B | N9A | C8A | H18 | 0.6° | 0.0° |
| O2B | C2B | C1B | C3B | 125.8° | 118.2° |
| O2B | C2B | C1B | H12 | 121.1° | 123.6° |
| O2B | C2B | C1B | O4B | 144.6° | 155.2° |
| O2B | C2B | C3B | H12 | 117.1° | 123.6° |
| O2B | C2B | C3B | O3B | 39.6° | 20.4° |
| O2B | C2B | C3B | C4B | 157.9° | 139.1° |
| O2B | C2B | C3B | H11 | 83.4° | 102.2° |
| O2B | C2B | C1B | H14 | 35.1° | 36.7° |
| C2B | C1B | O4B | H14 | 108.9° | 118.5° |
| C1B | C2B | C3B | H12 | 112.5° | 118.2° |
| C2B | C1B | O4B | C4B | 1.7° | 39.9° |
| C1B | C2B | C3B | O3B | 90.8° | 97.9° |
| C1B | C2B | C3B | C4B | 27.6° | 20.9° |
| C1B | C2B | C3B | H11 | 146.2° | 139.5° |
| C1B | C2B | O2B | H13 | 180.0° | 67.2° |
| O4B | C1B | C2B | C3B | 18.9° | 37.0° |
| C1B | O4B | C4B | C3B | 15.4° | 26.4° |
| C1B | O4B | C4B | C5B | 104.7° | 145.9° |
| C1B | O4B | C4B | H10 | 135.3° | 93.1° |
| O4B | C1B | C2B | H12 | 94.3° | 81.2° |
| C2B | C3B | C4B | O4B | 27.2° | 2.0° |
| C2B | C3B | O3B | C4B | 115.2° | 114.8° |
| C2B | C3B | O3B | H11 | 123.1° | 122.6° |
| C2B | C3B | O3B | P3B | 162.6° | 125.2° |
| C2B | C3B | C4B | H11 | 119.4° | 118.7° |
| C2B | C3B | C4B | C5B | 89.5° | 121.5° |
| C2B | C3B | C4B | H10 | 148.1° | 117.6° |
| C3B | C2B | O2B | H13 | 57.7° | 180.0° |
| C3B | C2B | C1B | H14 | 90.7° | 81.5° |
| CCP | O6A | P2A | O5A | 176.6° | 55.0° |
| CCP | O6A | P2A | O3A | 61.7° | 175.0° |
| CCP | O6A | P2A | O4A | 54.8° | 65.0° |
| O6A | CCP | H21 | H22 | 118.5° | 120.0° |
| O6A | P2A | O5A | O3A | 116.4° | 120.0° |
| O6A | P2A | O5A | O4A | 118.6° | 120.0° |
| O6A | P2A | O3A | O4A | 115.5° | 120.0° |
| O6A | P2A | O3A | P1A | 150.9° | 164.9° |
| O6A | P2A | O4A | H6 | 118.5° | 60.0° |
| P2A | O6A | CCP | H21 | 61.1° | 60.0° |
| P2A | O6A | CCP | H22 | 57.9° | 60.0° |
| O4B | C4B | C3B | O3B | 91.0° | 120.8° |
| O4B | C4B | C3B | C5B | 116.7° | 119.5° |
| O4B | C4B | C3B | H10 | 120.9° | 119.5° |
| O4B | C4B | C5B | H10 | 121.4° | 121.0° |
| O4B | C4B | C5B | O5B | 56.5° | 66.7° |
| O4B | C4B | C5B | H8 | 64.5° | 53.3° |
| O4B | C4B | C5B | H9 | 177.5° | 173.3° |
| O4B | C4B | C3B | H11 | 146.6° | 116.7° |
| C4B | O4B | C1B | H14 | 107.2° | 78.5° |
| O3B | C3B | C4B | H11 | 122.4° | 122.5° |
| C3B | O3B | P3B | O7A | 158.8° | 55.0° |
| O3B | C3B | C4B | C5B | 152.3° | 119.7° |
| C3B | O3B | P3B | O8A | 81.2° | 175.0° |
| C3B | O3B | P3B | O9A | 38.2° | 65.0° |
| O3B | C3B | C4B | H10 | 29.9° | 1.2° |
| O3B | C3B | C2B | H12 | 156.7° | 143.9° |
| P3B | O3B | C3B | C4B | 82.2° | 120.0° |
| O3B | P3B | O7A | O8A | 119.8° | 120.0° |
| O3B | P3B | O7A | O9A | 120.3° | 120.0° |
| O3B | P3B | O8A | O9A | 120.2° | 120.0° |
| P3B | O3B | C3B | H11 | 39.5° | 2.6° |
| O3B | P3B | O8A | H15 | 118.6° | 180.0° |
| O3B | P3B | O9A | H16 | 119.0° | 60.0° |
| C3B | C4B | C5B | H10 | 122.9° | 121.0° |
| C3B | C4B | C5B | O5B | 59.2° | 175.3° |
| C3B | C4B | C5B | H8 | 179.8° | 64.7° |
| C3B | C4B | C5B | H9 | 61.7° | 55.3° |
| C4B | C3B | C2B | H12 | 85.0° | 97.3° |
| O5A | P2A | O3A | O4A | 126.9° | 120.0° |
| O5A | P2A | O3A | P1A | 33.2° | 45.0° |
| O5A | P2A | O4A | H6 | 0.0° | 180.0° |
| O7A | P3B | O8A | O9A | 121.1° | 120.0° |
| O7A | P3B | O8A | H15 | 0.0° | 60.0° |
| O7A | P3B | O9A | H16 | 0.0° | 180.0° |
| P2A | O3A | P1A | O5B | 87.7° | 165.0° |
| P2A | O3A | P1A | O1A | 155.5° | 45.1° |
| P2A | O3A | P1A | O2A | 34.4° | 74.9° |
| O3A | P2A | O4A | H6 | 127.5° | 60.0° |
| O4A | P2A | O3A | P1A | 93.6° | 75.1° |
| C4B | C5B | O5B | H8 | 121.0° | 120.0° |
| C4B | C5B | O5B | H9 | 121.0° | 120.0° |
| C4B | C5B | O5B | P1A | 171.0° | 179.9° |
| C4B | C5B | H8 | H9 | 116.9° | 120.0° |
| C5B | C4B | C3B | H11 | 30.0° | 2.8° |
| O3A | P1A | O5B | C5B | 175.8° | 175.0° |
| O3A | P1A | O5B | O1A | 115.5° | 119.9° |
| O3A | P1A | O5B | O2A | 123.2° | 120.1° |
| O3A | P1A | O1A | O2A | 121.9° | 120.0° |
| O3A | P1A | O2A | H7 | 118.5° | 60.1° |
| O8A | P3B | O9A | H16 | 120.8° | 60.0° |
| O9A | P3B | O8A | H15 | 121.1° | 60.0° |
| C5B | O5B | P1A | O1A | 60.4° | 55.0° |
| C5B | O5B | P1A | O2A | 60.9° | 65.0° |
| O5B | C5B | H8 | H9 | 117.0° | 120.0° |
| O5B | C5B | C4B | H10 | 177.8° | 54.3° |
| O5B | P1A | O1A | O2A | 120.9° | 120.0° |
| O5B | P1A | O2A | H7 | 119.9° | 60.0° |
| P1A | O5B | C5B | H8 | 68.1° | 60.0° |
| P1A | O5B | C5B | H9 | 50.0° | 60.1° |
| O1A | P1A | O2A | H7 | 0.0° | 180.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.1° |
| H8 | C5B | C4B | H10 | 56.9° | 174.3° |
| H9 | C5B | C4B | H10 | 61.2° | 65.7° |
| H10 | C4B | C3B | H11 | 92.5° | 123.8° |
| H11 | C3B | C2B | H12 | 33.7° | 21.4° |
| H12 | C2B | O2B | H13 | 59.4° | 56.4° |
| H12 | C2B | C1B | H14 | 156.2° | 160.4° |
| H23 | CDP | H24 | H25 | 120.0° | 120.0° |
| H26 | CEP | H27 | H28 | 120.0° | 120.0° |
| H29 | CAP | OAP | H30 | 62.6° | 180.0° |
| H31 | N8P | C7P | H32 | 6.0° | 120.0° |
| H31 | N8P | C7P | H33 | 112.5° | 120.0° |
| H32 | C7P | C6P | H34 | 174.4° | 179.9° |
| H32 | C7P | C6P | H35 | 67.2° | 59.9° |
| H33 | C7P | C6P | H34 | 56.0° | 60.0° |
| H33 | C7P | C6P | H35 | 174.3° | 180.0° |
| H36 | N4P | C3P | H37 | 161.5° | 120.0° |
| H36 | N4P | C3P | H38 | 42.3° | 119.9° |
| H37 | C3P | C2P | H39 | 53.2° | 180.0° |
| H37 | C3P | C2P | H40 | 65.1° | 60.0° |
| H38 | C3P | C2P | H39 | 66.0° | 59.9° |
| H38 | C3P | C2P | H40 | 175.7° | 180.0° |
