ZKK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6A | C6A | sing | 1.38Å | 1.45Å | |
| N1A | C6A | doub | 1.33Å | 1.31Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.33Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.37Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.33Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.49Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.42Å | Aromatic |
| N3A | C4A | sing | 1.33Å | 1.32Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.35Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.29Å | Aromatic |
| O2B | C2B | sing | 1.43Å | 1.43Å | |
| C8A | N9A | sing | 1.36Å | 1.30Å | Aromatic |
| N9A | C1B | sing | 1.46Å | 1.42Å | |
| O06 | C04 | doub | 1.21Å | 1.25Å | |
| C2B | C1B | sing | 1.55Å | 1.49Å | |
| C2B | C3B | sing | 1.54Å | 1.47Å | |
| C1B | O4B | sing | 1.44Å | 1.47Å | |
| C04 | O05 | sing | 1.34Å | 1.25Å | |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C07 | sing | 1.51Å | 1.52Å | |
| O3B | C3B | sing | 1.43Å | 1.43Å | |
| O3B | P3B | sing | 1.61Å | 1.64Å | |
| O1A | P1A | doub | 1.48Å | 1.45Å | |
| C3B | C4B | sing | 1.54Å | 1.49Å | |
| CDP | CBP | sing | 1.53Å | 1.52Å | |
| O4B | C4B | sing | 1.44Å | 1.46Å | |
| O7A | P3B | doub | 1.48Å | 1.45Å | |
| O5P | C5P | doub | 1.21Å | 1.18Å | |
| O9P | C9P | doub | 1.21Å | 1.18Å | |
| O5B | P1A | sing | 1.61Å | 1.63Å | |
| O5B | C5B | sing | 1.43Å | 1.39Å | |
| P3B | O8A | sing | 1.61Å | 1.45Å | |
| P3B | O9A | sing | 1.61Å | 1.45Å | |
| C07 | O08 | doub | 1.21Å | 1.18Å | |
| C07 | S1P | sing | 1.71Å | 1.81Å | |
| C4B | C5B | sing | 1.53Å | 1.49Å | |
| P1A | O2A | sing | 1.61Å | 1.45Å | |
| P1A | O3A | sing | 1.61Å | 1.63Å | |
| C9P | CAP | sing | 1.51Å | 1.52Å | |
| C9P | N8P | sing | 1.35Å | 1.45Å | |
| C5P | N4P | sing | 1.35Å | 1.44Å | |
| C5P | C6P | sing | 1.51Å | 1.52Å | |
| C3P | N4P | sing | 1.46Å | 1.44Å | |
| C3P | C2P | sing | 1.53Å | 1.52Å | |
| S1P | C2P | sing | 1.81Å | 1.81Å | |
| CCP | CBP | sing | 1.53Å | 1.52Å | |
| CCP | O6A | sing | 1.43Å | 1.39Å | |
| CBP | CAP | sing | 1.53Å | 1.53Å | |
| CBP | CEP | sing | 1.53Å | 1.52Å | |
| C7P | C6P | sing | 1.53Å | 1.52Å | |
| C7P | N8P | sing | 1.46Å | 1.45Å | |
| CAP | OAP | sing | 1.43Å | 1.39Å | |
| O3A | P2A | sing | 1.61Å | 1.63Å | |
| O6A | P2A | sing | 1.61Å | 1.63Å | |
| O4A | P2A | doub | 1.48Å | 1.44Å | |
| P2A | O5A | sing | 1.61Å | 1.44Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C2P | H51A | sing | 1.09Å | 1.10Å | |
| C2P | H122 | sing | 1.09Å | 1.10Å | |
| C3P | HN8 | sing | 1.09Å | 1.10Å | |
| C3P | H61A | sing | 1.09Å | 1.10Å | |
| C6P | H61 | sing | 1.09Å | 1.10Å | |
| C6P | H62 | sing | 1.09Å | 1.10Å | |
| C7P | H71 | sing | 1.09Å | 1.10Å | |
| C7P | H72 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CDP | H131 | sing | 1.09Å | 1.10Å | |
| CDP | H132 | sing | 1.09Å | 1.10Å | |
| CDP | H133 | sing | 1.09Å | 1.10Å | |
| CEP | H141 | sing | 1.09Å | 1.10Å | |
| CEP | H142 | sing | 1.09Å | 1.10Å | |
| CEP | H143 | sing | 1.09Å | 1.10Å | |
| CCP | H5 | sing | 1.09Å | 1.10Å | |
| CCP | H121 | sing | 1.09Å | 1.10Å | |
| C5B | H6 | sing | 1.09Å | 1.10Å | |
| C5B | H52A | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| N4P | HN4 | sing | 0.97Å | 1.00Å | |
| N8P | H7 | sing | 0.97Å | 1.00Å | |
| N6A | H8 | sing | 0.97Å | 1.00Å | |
| N6A | H62A | sing | 0.97Å | 1.00Å | |
| O05 | H34 | sing | 0.97Å | 0.95Å | |
| OAP | HO1 | sing | 0.97Å | 0.95Å | |
| O5A | HOA5 | sing | 0.97Å | 0.95Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| O9A | HOA9 | sing | 0.97Å | 0.95Å | |
| O8A | HOA8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6A | C6A | N1A | 118.3° | 120.8° |
| N6A | C6A | C5A | 119.4° | 120.8° |
| C6A | N6A | H8 | 109.5° | 120.0° |
| C6A | N6A | H62A | 109.5° | 120.0° |
| C6A | N1A | C2A | 114.6° | 121.2° |
| N1A | C6A | C5A | 122.3° | 118.4° |
| N1A | C2A | N3A | 131.1° | 122.5° |
| N1A | C2A | H2A | 114.5° | 118.8° |
| C6A | C5A | N7A | 135.9° | 134.7° |
| C6A | C5A | C4A | 117.2° | 118.2° |
| C2A | N3A | C4A | 112.5° | 120.7° |
| N3A | C2A | H2A | 114.5° | 118.8° |
| N7A | C5A | C4A | 106.9° | 107.2° |
| C5A | N7A | C8A | 101.9° | 109.4° |
| C5A | C4A | N3A | 122.3° | 119.1° |
| C5A | C4A | N9A | 105.1° | 106.0° |
| N3A | C4A | N9A | 132.6° | 134.9° |
| N7A | C8A | N9A | 111.6° | 110.0° |
| N7A | C8A | H8A | 124.2° | 125.0° |
| C4A | N9A | C8A | 114.6° | 107.4° |
| C4A | N9A | C1B | 121.6° | 126.3° |
| O2B | C2B | C1B | 111.9° | 110.5° |
| O2B | C2B | C3B | 111.1° | 110.6° |
| O2B | C2B | H2B | 110.7° | 110.6° |
| C2B | O2B | HO2A | 109.5° | 114.0° |
| C8A | N9A | C1B | 123.8° | 126.3° |
| N9A | C8A | H8A | 124.2° | 125.0° |
| N9A | C1B | C2B | 111.4° | 110.6° |
| N9A | C1B | O4B | 112.4° | 110.4° |
| N9A | C1B | H1B | 109.7° | 110.3° |
| O06 | C04 | O05 | 120.0° | 120.0° |
| O06 | C04 | C03 | 120.1° | 120.0° |
| C1B | C2B | C3B | 102.9° | 104.0° |
| C2B | C1B | O4B | 105.4° | 104.8° |
| C2B | C1B | H1B | 108.7° | 110.3° |
| C1B | C2B | H2B | 109.8° | 110.5° |
| C2B | C3B | O3B | 107.5° | 110.5° |
| C2B | C3B | C4B | 103.6° | 104.0° |
| C3B | C2B | H2B | 110.1° | 110.5° |
| C2B | C3B | H3B | 112.5° | 110.5° |
| C1B | O4B | C4B | 106.7° | 105.2° |
| O4B | C1B | H1B | 109.0° | 110.3° |
| O05 | C04 | C03 | 119.9° | 120.0° |
| C04 | O05 | H34 | 109.5° | 117.0° |
| C04 | C03 | C02 | 110.8° | 109.5° |
| C04 | C03 | H4 | 109.1° | 109.5° |
| C04 | C03 | H11 | 109.1° | 109.4° |
| C01 | C02 | C03 | 111.4° | 109.5° |
| C01 | C02 | C07 | 111.2° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H9 | 108.8° | 109.4° |
| C03 | C02 | C07 | 107.4° | 109.5° |
| C03 | C02 | H9 | 109.0° | 109.5° |
| C02 | C03 | H4 | 109.1° | 109.4° |
| C02 | C03 | H11 | 109.1° | 109.5° |
| C02 | C07 | O08 | 120.1° | 120.0° |
| C02 | C07 | S1P | 120.6° | 120.0° |
| C07 | C02 | H9 | 109.0° | 109.4° |
| C3B | O3B | P3B | 120.2° | 123.0° |
| O3B | C3B | C4B | 107.4° | 110.5° |
| O3B | C3B | H3B | 113.1° | 110.6° |
| O3B | P3B | O7A | 113.4° | 109.5° |
| O3B | P3B | O8A | 115.3° | 109.5° |
| O3B | P3B | O9A | 113.3° | 109.5° |
| O1A | P1A | O5B | 111.0° | 109.5° |
| O1A | P1A | O2A | 101.6° | 109.5° |
| O1A | P1A | O3A | 111.2° | 109.5° |
| C3B | C4B | O4B | 106.3° | 104.9° |
| C3B | C4B | C5B | 110.8° | 110.4° |
| C3B | C4B | H4B | 109.9° | 110.4° |
| C4B | C3B | H3B | 112.1° | 110.4° |
| CDP | CBP | CCP | 108.9° | 109.5° |
| CDP | CBP | CAP | 110.0° | 109.5° |
| CDP | CBP | CEP | 109.5° | 109.5° |
| CBP | CDP | H131 | 109.5° | 109.5° |
| CBP | CDP | H132 | 109.5° | 109.5° |
| CBP | CDP | H133 | 109.4° | 109.5° |
| O4B | C4B | C5B | 109.6° | 110.4° |
| O4B | C4B | H4B | 110.3° | 110.4° |
| O7A | P3B | O8A | 104.8° | 109.5° |
| O7A | P3B | O9A | 103.1° | 109.4° |
| O5P | C5P | N4P | 120.6° | 120.0° |
| O5P | C5P | C6P | 121.1° | 120.0° |
| O9P | C9P | CAP | 119.7° | 120.0° |
| O9P | C9P | N8P | 120.6° | 120.0° |
| P1A | O5B | C5B | 120.6° | 123.0° |
| O5B | P1A | O2A | 111.7° | 109.5° |
| O5B | P1A | O3A | 108.2° | 109.4° |
| O5B | C5B | C4B | 109.4° | 109.4° |
| O5B | C5B | H6 | 109.5° | 109.5° |
| O5B | C5B | H52A | 109.5° | 109.5° |
| O8A | P3B | O9A | 105.8° | 109.5° |
| P3B | O8A | HOA8 | 109.5° | 114.1° |
| P3B | O9A | HOA9 | 109.5° | 114.0° |
| O08 | C07 | S1P | 119.3° | 120.0° |
| C07 | S1P | C2P | 107.1° | 100.0° |
| C4B | C5B | H6 | 109.5° | 109.5° |
| C4B | C5B | H52A | 109.5° | 109.4° |
| C5B | C4B | H4B | 109.8° | 110.3° |
| O2A | P1A | O3A | 113.0° | 109.5° |
| P1A | O2A | HOA2 | 109.5° | 114.0° |
| P1A | O3A | P2A | 124.7° | 134.0° |
| CAP | C9P | N8P | 119.6° | 120.0° |
| C9P | CAP | CBP | 110.1° | 109.5° |
| C9P | CAP | OAP | 109.0° | 109.5° |
| C9P | CAP | H10 | 108.3° | 109.4° |
| C9P | N8P | C7P | 120.3° | 120.0° |
| C9P | N8P | H7 | 119.9° | 120.0° |
| N4P | C5P | C6P | 118.3° | 120.0° |
| C5P | N4P | C3P | 121.7° | 120.0° |
| C5P | N4P | HN4 | 119.1° | 120.0° |
| C5P | C6P | C7P | 112.3° | 109.5° |
| C5P | C6P | H61 | 108.8° | 109.5° |
| C5P | C6P | H62 | 108.7° | 109.5° |
| N4P | C3P | C2P | 108.8° | 109.5° |
| N4P | C3P | HN8 | 109.6° | 109.5° |
| N4P | C3P | H61A | 109.6° | 109.5° |
| C3P | N4P | HN4 | 119.1° | 120.0° |
| C3P | C2P | S1P | 108.9° | 109.5° |
| C3P | C2P | H51A | 109.6° | 109.5° |
| C3P | C2P | H122 | 109.6° | 109.5° |
| C2P | C3P | HN8 | 109.7° | 109.5° |
| C2P | C3P | H61A | 109.7° | 109.5° |
| S1P | C2P | H51A | 109.6° | 109.5° |
| S1P | C2P | H122 | 109.6° | 109.5° |
| CBP | CCP | O6A | 109.7° | 109.5° |
| CCP | CBP | CAP | 110.2° | 109.5° |
| CCP | CBP | CEP | 107.9° | 109.5° |
| CBP | CCP | H5 | 109.4° | 109.4° |
| CBP | CCP | H121 | 109.4° | 109.5° |
| CCP | O6A | P2A | 117.1° | 123.0° |
| O6A | CCP | H5 | 109.4° | 109.5° |
| O6A | CCP | H121 | 109.4° | 109.5° |
| CAP | CBP | CEP | 110.4° | 109.4° |
| CBP | CAP | OAP | 110.9° | 109.5° |
| CBP | CAP | H10 | 108.3° | 109.5° |
| CBP | CEP | H141 | 109.5° | 109.5° |
| CBP | CEP | H142 | 109.5° | 109.5° |
| CBP | CEP | H143 | 109.5° | 109.5° |
| C6P | C7P | N8P | 107.5° | 109.5° |
| C7P | C6P | H61 | 108.8° | 109.5° |
| C7P | C6P | H62 | 108.8° | 109.4° |
| C6P | C7P | H71 | 110.0° | 109.5° |
| C6P | C7P | H72 | 109.9° | 109.5° |
| N8P | C7P | H71 | 110.0° | 109.4° |
| N8P | C7P | H72 | 110.0° | 109.5° |
| C7P | N8P | H7 | 119.9° | 120.0° |
| OAP | CAP | H10 | 110.1° | 109.4° |
| CAP | OAP | HO1 | 109.5° | 114.0° |
| O3A | P2A | O6A | 107.5° | 109.4° |
| O3A | P2A | O4A | 112.2° | 109.5° |
| O3A | P2A | O5A | 110.5° | 109.5° |
| O6A | P2A | O4A | 112.5° | 109.5° |
| O6A | P2A | O5A | 111.3° | 109.5° |
| O4A | P2A | O5A | 102.9° | 109.5° |
| P2A | O5A | HOA5 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C03 | H11 | 109.5° | 109.5° |
| H51A | C2P | H122 | 109.5° | 109.5° |
| HN8 | C3P | H61A | 109.5° | 109.4° |
| H61 | C6P | H62 | 109.5° | 109.5° |
| H71 | C7P | H72 | 109.5° | 109.5° |
| H131 | CDP | H132 | 109.5° | 109.4° |
| H131 | CDP | H133 | 109.4° | 109.5° |
| H132 | CDP | H133 | 109.5° | 109.4° |
| H141 | CEP | H142 | 109.5° | 109.5° |
| H141 | CEP | H143 | 109.5° | 109.5° |
| H142 | CEP | H143 | 109.5° | 109.5° |
| H5 | CCP | H121 | 109.5° | 109.5° |
| H6 | C5B | H52A | 109.5° | 109.5° |
| H8 | N6A | H62A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6A | C6A | N1A | C5A | 179.7° | 180.0° |
| N6A | C6A | N1A | C2A | 179.9° | 180.0° |
| N6A | C6A | C5A | N7A | 0.2° | 0.0° |
| N6A | C6A | C5A | C4A | 179.9° | 179.7° |
| C6A | N6A | H8 | H62A | 120.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.1° | 0.4° |
| N1A | C6A | C5A | N7A | 180.0° | 180.0° |
| N1A | C6A | C5A | C4A | 0.2° | 0.3° |
| C6A | N1A | C2A | H2A | 179.9° | 179.9° |
| N1A | C6A | N6A | H8 | 0.0° | 180.0° |
| N1A | C6A | N6A | H62A | 120.0° | 0.1° |
| C2A | N1A | C6A | C5A | 0.1° | 0.0° |
| N1A | C2A | N3A | H2A | 180.0° | 179.5° |
| N1A | C2A | N3A | C4A | 0.2° | 0.5° |
| C6A | C5A | N7A | C4A | 179.9° | 179.7° |
| C6A | C5A | C4A | N3A | 0.1° | 0.2° |
| C6A | C5A | N7A | C8A | 179.7° | 180.0° |
| C6A | C5A | C4A | N9A | 179.9° | 179.8° |
| C5A | C6A | N6A | H8 | 179.8° | 0.0° |
| C5A | C6A | N6A | H62A | 59.7° | 180.0° |
| C2A | N3A | C4A | C5A | 0.1° | 0.2° |
| C2A | N3A | C4A | N9A | 179.9° | 179.2° |
| N7A | C5A | C4A | N3A | 180.0° | 180.0° |
| N7A | C5A | C4A | N9A | 0.1° | 0.4° |
| C5A | N7A | C8A | N9A | 0.2° | 0.0° |
| C5A | N7A | C8A | H8A | 179.8° | 179.8° |
| C5A | C4A | N3A | N9A | 180.0° | 179.4° |
| C4A | C5A | N7A | C8A | 0.1° | 0.3° |
| C5A | C4A | N9A | C8A | 0.2° | 0.4° |
| C5A | C4A | N9A | C1B | 179.6° | 179.6° |
| N3A | C4A | N9A | C8A | 179.8° | 179.9° |
| N3A | C4A | N9A | C1B | 0.5° | 0.1° |
| C4A | N3A | C2A | H2A | 179.7° | 180.0° |
| N7A | C8A | N9A | C4A | 0.3° | 0.3° |
| N7A | C8A | N9A | H8A | 180.0° | 179.8° |
| N7A | C8A | N9A | C1B | 179.6° | 179.8° |
| C4A | N9A | C8A | C1B | 179.3° | 180.0° |
| C4A | N9A | C1B | C2B | 135.4° | 88.0° |
| C4A | N9A | C1B | O4B | 106.5° | 156.4° |
| C4A | N9A | C1B | H1B | 15.0° | 34.2° |
| C4A | N9A | C8A | H8A | 179.7° | 180.0° |
| O2B | C2B | C1B | N9A | 83.3° | 98.4° |
| O2B | C2B | C1B | C3B | 119.4° | 118.7° |
| O2B | C2B | C1B | H2B | 123.3° | 122.7° |
| O2B | C2B | C3B | H2B | 123.0° | 122.8° |
| O2B | C2B | C1B | O4B | 154.5° | 142.6° |
| O2B | C2B | C3B | O3B | 44.7° | 0.0° |
| O2B | C2B | C3B | C4B | 158.3° | 118.7° |
| O2B | C2B | C1B | H1B | 37.8° | 23.9° |
| O2B | C2B | C3B | H3B | 80.4° | 122.7° |
| C8A | N9A | C1B | C2B | 43.9° | 91.9° |
| C8A | N9A | C1B | O4B | 74.2° | 23.6° |
| C8A | N9A | C1B | H1B | 164.3° | 145.8° |
| N9A | C1B | C2B | O4B | 122.2° | 118.9° |
| N9A | C1B | C2B | H1B | 121.0° | 122.3° |
| N9A | C1B | C2B | C3B | 157.3° | 142.9° |
| N9A | C1B | O4B | H1B | 121.9° | 122.2° |
| N9A | C1B | O4B | C4B | 139.4° | 159.5° |
| C1B | N9A | C8A | H8A | 0.4° | 0.0° |
| N9A | C1B | C2B | H2B | 40.0° | 24.2° |
| O06 | C04 | O05 | C03 | 179.5° | 180.0° |
| O06 | C04 | C03 | C02 | 51.9° | 0.0° |
| O06 | C04 | C03 | H4 | 68.3° | 120.0° |
| O06 | C04 | C03 | H11 | 172.1° | 120.0° |
| O06 | C04 | O05 | H34 | 0.0° | 0.1° |
| C1B | C2B | C3B | H2B | 117.1° | 118.6° |
| C2B | C1B | O4B | H1B | 116.6° | 118.8° |
| C1B | C2B | C3B | O3B | 75.2° | 118.6° |
| C1B | C2B | C3B | C4B | 38.3° | 0.1° |
| C2B | C1B | O4B | C4B | 17.8° | 40.4° |
| C1B | C2B | C3B | H3B | 159.6° | 118.6° |
| C1B | C2B | O2B | HO2A | 180.0° | 61.4° |
| C3B | C2B | C1B | O4B | 35.1° | 24.0° |
| C2B | C3B | O3B | C4B | 111.0° | 114.7° |
| C2B | C3B | O3B | H3B | 124.8° | 122.7° |
| C2B | C3B | O3B | P3B | 149.7° | 121.4° |
| C2B | C3B | C4B | H3B | 121.6° | 118.6° |
| C2B | C3B | C4B | O4B | 27.9° | 23.9° |
| C2B | C3B | C4B | C5B | 91.2° | 142.8° |
| C2B | C3B | C4B | H4B | 147.2° | 95.0° |
| C3B | C2B | C1B | H1B | 81.6° | 94.8° |
| C3B | C2B | O2B | HO2A | 65.5° | 176.1° |
| C1B | O4B | C4B | C3B | 6.1° | 40.4° |
| C1B | O4B | C4B | C5B | 113.8° | 159.3° |
| C1B | O4B | C4B | H4B | 125.2° | 78.5° |
| O4B | C1B | C2B | H2B | 82.2° | 94.7° |
| O05 | C04 | C03 | C02 | 128.6° | 180.0° |
| O05 | C04 | C03 | H4 | 111.2° | 60.0° |
| O05 | C04 | C03 | H11 | 8.4° | 60.1° |
| C04 | C03 | C02 | C01 | 56.5° | 65.0° |
| C04 | C03 | C02 | H4 | 120.2° | 120.0° |
| C04 | C03 | C02 | H11 | 120.2° | 120.0° |
| C04 | C03 | C02 | C07 | 178.5° | 175.0° |
| C04 | C03 | C02 | H9 | 63.6° | 55.0° |
| C04 | C03 | H4 | H11 | 119.4° | 120.0° |
| C03 | C04 | O05 | H34 | 179.5° | 180.0° |
| C01 | C02 | C03 | C07 | 122.0° | 120.1° |
| C01 | C02 | C03 | H9 | 120.1° | 120.0° |
| C01 | C02 | C07 | H9 | 120.0° | 120.0° |
| C01 | C02 | C07 | O08 | 163.7° | 120.0° |
| C01 | C02 | C07 | S1P | 16.5° | 59.9° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | C03 | H4 | 176.7° | 55.0° |
| C01 | C02 | C03 | H11 | 63.6° | 175.1° |
| C03 | C02 | C07 | H9 | 117.9° | 120.0° |
| C03 | C02 | C07 | O08 | 41.6° | 0.1° |
| C03 | C02 | C07 | S1P | 138.6° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C02 | C03 | H4 | H11 | 119.4° | 120.0° |
| C02 | C07 | O08 | S1P | 179.8° | 179.9° |
| C02 | C07 | S1P | C2P | 173.3° | 180.0° |
| C07 | C02 | C01 | H1 | 60.2° | 60.1° |
| C07 | C02 | C01 | H2 | 59.7° | 180.0° |
| C07 | C02 | C01 | H3 | 179.7° | 59.9° |
| C07 | C02 | C03 | H4 | 61.3° | 65.1° |
| C07 | C02 | C03 | H11 | 58.3° | 55.0° |
| O3B | C3B | C4B | H3B | 124.8° | 122.7° |
| O3B | C3B | C4B | O4B | 85.7° | 142.6° |
| C3B | O3B | P3B | O7A | 161.1° | 54.9° |
| C3B | O3B | P3B | O8A | 40.3° | 175.0° |
| C3B | O3B | P3B | O9A | 81.8° | 65.0° |
| O3B | C3B | C4B | C5B | 155.2° | 98.5° |
| O3B | C3B | C4B | H4B | 33.6° | 23.7° |
| O3B | C3B | C2B | H2B | 167.7° | 122.8° |
| P3B | O3B | C3B | C4B | 99.3° | 123.9° |
| O3B | P3B | O7A | O8A | 126.6° | 120.0° |
| O3B | P3B | O7A | O9A | 122.9° | 120.0° |
| O3B | P3B | O8A | O9A | 126.0° | 120.0° |
| P3B | O3B | C3B | H3B | 24.9° | 1.3° |
| O3B | P3B | O9A | HOA9 | 123.0° | 59.9° |
| O3B | P3B | O8A | HOA8 | 125.4° | 179.9° |
| O1A | P1A | O5B | O2A | 112.6° | 120.1° |
| O1A | P1A | O5B | O3A | 122.4° | 120.0° |
| O1A | P1A | O5B | C5B | 141.7° | 55.1° |
| O1A | P1A | O2A | O3A | 119.2° | 120.0° |
| O1A | P1A | O3A | P2A | 63.2° | 40.0° |
| O1A | P1A | O2A | HOA2 | 0.0° | 180.0° |
| C3B | C4B | O4B | C5B | 119.8° | 118.9° |
| C3B | C4B | O4B | H4B | 119.1° | 118.9° |
| C3B | C4B | C5B | O5B | 36.0° | 176.5° |
| C3B | C4B | C5B | H4B | 121.6° | 122.2° |
| C3B | C4B | C5B | H6 | 84.0° | 56.5° |
| C3B | C4B | C5B | H52A | 156.0° | 63.5° |
| C4B | C3B | C2B | H2B | 78.7° | 118.5° |
| CDP | CBP | CAP | C9P | 38.5° | 174.3° |
| CDP | CBP | CCP | CAP | 120.7° | 120.0° |
| CDP | CBP | CCP | CEP | 118.7° | 120.0° |
| CDP | CBP | CCP | O6A | 169.0° | 60.0° |
| CDP | CBP | CAP | CEP | 120.9° | 120.0° |
| CDP | CBP | CAP | OAP | 159.2° | 54.3° |
| CDP | CBP | CAP | H10 | 79.8° | 65.7° |
| CBP | CDP | H131 | H132 | 120.0° | 120.0° |
| CBP | CDP | H131 | H133 | 120.0° | 120.0° |
| CBP | CDP | H132 | H133 | 120.0° | 120.0° |
| CDP | CBP | CEP | H141 | 180.0° | 173.6° |
| CDP | CBP | CEP | H142 | 60.0° | 53.6° |
| CDP | CBP | CEP | H143 | 60.0° | 66.4° |
| CDP | CBP | CCP | H5 | 49.0° | 180.0° |
| CDP | CBP | CCP | H121 | 71.0° | 60.0° |
| O4B | C4B | C5B | O5B | 81.1° | 67.9° |
| O4B | C4B | C5B | H4B | 121.3° | 122.2° |
| O4B | C4B | C5B | H6 | 158.9° | 172.1° |
| O4B | C4B | C5B | H52A | 38.9° | 52.0° |
| C4B | O4B | C1B | H1B | 98.7° | 78.4° |
| O4B | C4B | C3B | H3B | 149.4° | 94.7° |
| O7A | P3B | O8A | O9A | 108.6° | 120.0° |
| O7A | P3B | O9A | HOA9 | 0.0° | 180.0° |
| O7A | P3B | O8A | HOA8 | 0.0° | 60.0° |
| O5P | C5P | N4P | C6P | 178.8° | 180.0° |
| O5P | C5P | N4P | C3P | 0.8° | 0.0° |
| O5P | C5P | C6P | C7P | 27.7° | 0.0° |
| O5P | C5P | C6P | H61 | 148.2° | 120.0° |
| O5P | C5P | C6P | H62 | 92.7° | 120.0° |
| O5P | C5P | N4P | HN4 | 179.2° | 180.0° |
| O9P | C9P | CAP | N8P | 179.9° | 180.0° |
| O9P | C9P | CAP | CBP | 100.8° | 111.8° |
| O9P | C9P | N8P | C7P | 0.5° | 4.4° |
| O9P | C9P | CAP | OAP | 137.3° | 8.2° |
| O9P | C9P | CAP | H10 | 17.5° | 128.1° |
| O9P | C9P | N8P | H7 | 179.5° | 175.6° |
| P1A | O5B | C5B | C4B | 171.6° | 180.0° |
| O5B | P1A | O2A | O3A | 122.3° | 119.9° |
| O5B | P1A | O3A | P2A | 174.5° | 160.0° |
| P1A | O5B | C5B | H6 | 68.4° | 60.0° |
| P1A | O5B | C5B | H52A | 51.6° | 60.1° |
| O5B | P1A | O2A | HOA2 | 118.4° | 60.0° |
| O5B | C5B | C4B | H6 | 120.0° | 120.0° |
| O5B | C5B | C4B | H52A | 120.0° | 119.9° |
| C5B | O5B | P1A | O2A | 105.7° | 65.0° |
| C5B | O5B | P1A | O3A | 19.4° | 175.0° |
| O5B | C5B | H6 | H52A | 120.1° | 120.0° |
| O5B | C5B | C4B | H4B | 157.6° | 54.3° |
| O8A | P3B | O9A | HOA9 | 109.8° | 60.1° |
| O9A | P3B | O8A | HOA8 | 108.6° | 59.9° |
| O08 | C07 | S1P | C2P | 6.5° | 0.1° |
| O08 | C07 | C02 | H9 | 76.3° | 120.1° |
| C07 | S1P | C2P | C3P | 71.6° | 180.0° |
| S1P | C07 | C02 | H9 | 103.5° | 60.1° |
| C07 | S1P | C2P | H51A | 168.5° | 60.0° |
| C07 | S1P | C2P | H122 | 48.3° | 60.0° |
| C4B | C5B | H6 | H52A | 120.0° | 120.0° |
| C5B | C4B | C3B | H3B | 30.4° | 24.2° |
| O2A | P1A | O3A | P2A | 50.3° | 80.0° |
| P1A | O3A | P2A | O6A | 112.2° | 165.0° |
| P1A | O3A | P2A | O4A | 11.9° | 45.0° |
| P1A | O3A | P2A | O5A | 126.1° | 75.0° |
| O3A | P1A | O2A | HOA2 | 119.3° | 60.0° |
| C9P | CAP | CBP | CCP | 158.5° | 54.2° |
| C9P | CAP | CBP | OAP | 120.7° | 120.0° |
| C9P | CAP | CBP | H10 | 118.3° | 120.0° |
| C9P | CAP | CBP | CEP | 82.5° | 65.7° |
| CAP | C9P | N8P | C7P | 179.6° | 175.6° |
| C9P | CAP | OAP | H10 | 118.7° | 120.0° |
| CAP | C9P | N8P | H7 | 0.3° | 4.4° |
| C9P | CAP | OAP | HO1 | 180.0° | 60.0° |
| N8P | C9P | CAP | CBP | 79.0° | 68.2° |
| C9P | N8P | C7P | C6P | 79.7° | 180.0° |
| C9P | N8P | C7P | H7 | 180.0° | 179.9° |
| N8P | C9P | CAP | OAP | 42.8° | 171.8° |
| C9P | N8P | C7P | H71 | 40.0° | 60.0° |
| C9P | N8P | C7P | H72 | 160.7° | 60.0° |
| N8P | C9P | CAP | H10 | 162.7° | 51.9° |
| C5P | N4P | C3P | HN4 | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 177.5° | 180.0° |
| N4P | C5P | C6P | C7P | 153.4° | 180.0° |
| C5P | N4P | C3P | HN8 | 57.6° | 60.0° |
| C5P | N4P | C3P | H61A | 62.5° | 60.0° |
| N4P | C5P | C6P | H61 | 33.0° | 60.0° |
| N4P | C5P | C6P | H62 | 86.1° | 60.0° |
| C6P | C5P | N4P | C3P | 179.6° | 180.0° |
| C5P | C6P | C7P | H61 | 120.4° | 120.0° |
| C5P | C6P | C7P | H62 | 120.4° | 120.0° |
| C5P | C6P | C7P | N8P | 163.5° | 180.0° |
| C5P | C6P | H61 | H62 | 118.7° | 120.0° |
| C5P | C6P | C7P | H71 | 43.8° | 60.0° |
| C5P | C6P | C7P | H72 | 76.8° | 60.0° |
| C6P | C5P | N4P | HN4 | 0.4° | 0.0° |
| N4P | C3P | C2P | HN8 | 119.9° | 120.0° |
| N4P | C3P | C2P | H61A | 119.9° | 120.0° |
| N4P | C3P | C2P | S1P | 155.4° | 180.0° |
| N4P | C3P | C2P | H51A | 35.5° | 60.0° |
| N4P | C3P | C2P | H122 | 84.7° | 60.0° |
| N4P | C3P | HN8 | H61A | 120.3° | 120.0° |
| C3P | C2P | S1P | H51A | 119.9° | 120.0° |
| C3P | C2P | S1P | H122 | 119.9° | 120.0° |
| C3P | C2P | H51A | H122 | 120.3° | 120.0° |
| C2P | C3P | HN8 | H61A | 120.3° | 120.0° |
| C2P | C3P | N4P | HN4 | 2.4° | 0.0° |
| S1P | C2P | H51A | H122 | 120.3° | 120.0° |
| S1P | C2P | C3P | HN8 | 84.7° | 59.9° |
| S1P | C2P | C3P | H61A | 35.5° | 60.0° |
| CBP | CCP | O6A | H5 | 120.0° | 120.0° |
| CBP | CCP | O6A | H121 | 120.0° | 120.0° |
| CCP | CBP | CAP | CEP | 119.1° | 120.0° |
| CCP | CBP | CAP | OAP | 80.8° | 65.8° |
| CBP | CCP | O6A | P2A | 161.6° | 180.0° |
| CCP | CBP | CAP | H10 | 40.2° | 174.3° |
| CCP | CBP | CDP | H131 | 180.0° | 176.6° |
| CCP | CBP | CDP | H132 | 60.0° | 56.6° |
| CCP | CBP | CDP | H133 | 60.0° | 63.4° |
| CCP | CBP | CEP | H141 | 61.6° | 53.6° |
| CCP | CBP | CEP | H142 | 58.3° | 66.4° |
| CCP | CBP | CEP | H143 | 178.3° | 173.6° |
| CBP | CCP | H5 | H121 | 119.9° | 120.0° |
| O6A | CCP | CBP | CAP | 48.3° | 180.0° |
| O6A | CCP | CBP | CEP | 72.2° | 60.0° |
| CCP | O6A | P2A | O3A | 87.2° | 175.0° |
| CCP | O6A | P2A | O4A | 36.8° | 55.0° |
| CCP | O6A | P2A | O5A | 151.7° | 65.1° |
| O6A | CCP | H5 | H121 | 119.9° | 120.0° |
| CBP | CAP | OAP | H10 | 119.9° | 120.0° |
| CAP | CBP | CDP | H131 | 59.1° | 63.4° |
| CAP | CBP | CDP | H132 | 179.2° | 176.6° |
| CAP | CBP | CDP | H133 | 60.8° | 56.7° |
| CAP | CBP | CEP | H141 | 58.8° | 66.4° |
| CAP | CBP | CEP | H142 | 178.8° | 173.6° |
| CAP | CBP | CEP | H143 | 61.2° | 53.6° |
| CAP | CBP | CCP | H5 | 71.7° | 60.0° |
| CAP | CBP | CCP | H121 | 168.4° | 60.0° |
| CBP | CAP | OAP | HO1 | 58.6° | 60.0° |
| CEP | CBP | CAP | OAP | 38.3° | 174.2° |
| CEP | CBP | CAP | H10 | 159.3° | 54.3° |
| CEP | CBP | CDP | H131 | 62.3° | 56.6° |
| CEP | CBP | CDP | H132 | 57.7° | 63.4° |
| CEP | CBP | CDP | H133 | 177.7° | 176.6° |
| CBP | CEP | H141 | H142 | 120.0° | 120.0° |
| CBP | CEP | H141 | H143 | 120.0° | 120.0° |
| CBP | CEP | H142 | H143 | 120.0° | 120.0° |
| CEP | CBP | CCP | H5 | 167.7° | 60.0° |
| CEP | CBP | CCP | H121 | 47.8° | 180.0° |
| C6P | C7P | N8P | H71 | 119.7° | 120.0° |
| C6P | C7P | N8P | H72 | 119.7° | 120.0° |
| C7P | C6P | H61 | H62 | 118.7° | 119.9° |
| C6P | C7P | H71 | H72 | 120.9° | 120.0° |
| C6P | C7P | N8P | H7 | 100.3° | 0.1° |
| N8P | C7P | C6P | H61 | 76.0° | 60.0° |
| N8P | C7P | C6P | H62 | 43.1° | 60.0° |
| N8P | C7P | H71 | H72 | 120.9° | 120.0° |
| O3A | P2A | O6A | O4A | 123.9° | 120.0° |
| O3A | P2A | O6A | O5A | 121.1° | 119.9° |
| O3A | P2A | O4A | O5A | 118.8° | 120.0° |
| O3A | P2A | O5A | HOA5 | 120.0° | 60.0° |
| O6A | P2A | O4A | O5A | 119.9° | 120.0° |
| P2A | O6A | CCP | H5 | 78.4° | 60.0° |
| P2A | O6A | CCP | H121 | 41.6° | 60.0° |
| O6A | P2A | O5A | HOA5 | 120.7° | 60.0° |
| O4A | P2A | O5A | HOA5 | 0.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H9 | 59.8° | 180.0° |
| H2 | C01 | C02 | H9 | 179.8° | 60.0° |
| H3 | C01 | C02 | H9 | 60.2° | 60.0° |
| H9 | C02 | C03 | H4 | 56.6° | 175.0° |
| H9 | C02 | C03 | H11 | 176.2° | 64.9° |
| H51A | C2P | C3P | HN8 | 155.4° | 60.0° |
| H51A | C2P | C3P | H61A | 84.4° | 180.0° |
| H122 | C2P | C3P | HN8 | 35.2° | 180.0° |
| H122 | C2P | C3P | H61A | 155.4° | 60.0° |
| HN8 | C3P | N4P | HN4 | 122.3° | 120.1° |
| H61A | C3P | N4P | HN4 | 117.5° | 120.0° |
| H61 | C6P | C7P | H71 | 164.3° | 180.0° |
| H61 | C6P | C7P | H72 | 43.7° | 60.0° |
| H62 | C6P | C7P | H71 | 76.6° | 60.0° |
| H62 | C6P | C7P | H72 | 162.8° | 180.0° |
| H71 | C7P | N8P | H7 | 140.0° | 120.0° |
| H72 | C7P | N8P | H7 | 19.4° | 120.1° |
| H10 | CAP | OAP | HO1 | 61.3° | 180.0° |
| H131 | CDP | H132 | H133 | 120.0° | 120.0° |
| H141 | CEP | H142 | H143 | 120.0° | 120.1° |
| H6 | C5B | C4B | H4B | 37.6° | 65.7° |
| H52A | C5B | C4B | H4B | 82.4° | 174.3° |
| H4B | C4B | C3B | H3B | 91.2° | 146.4° |
| H1B | C1B | C2B | H2B | 161.1° | 146.5° |
| H2B | C2B | C3B | H3B | 42.6° | 0.0° |
| H2B | C2B | O2B | HO2A | 57.2° | 61.2° |
