3KK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| OAP | CAP | sing | 1.43Å | 1.44Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | S1P | sing | 1.71Å | 1.77Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2P | C3P | sing | 1.53Å | 1.51Å | |
| C2P | S1P | sing | 1.81Å | 1.82Å | |
| N4P | C3P | sing | 1.46Å | 1.46Å | |
| N4P | C5P | sing | 1.35Å | 1.34Å | |
| O8A | P3B | doub | 1.48Å | 1.48Å | |
| CAP | C9P | sing | 1.51Å | 1.56Å | |
| CAP | CBP | sing | 1.53Å | 1.57Å | |
| C6P | C5P | sing | 1.51Å | 1.53Å | |
| C6P | C7P | sing | 1.53Å | 1.52Å | |
| CDP | CBP | sing | 1.53Å | 1.53Å | |
| N8P | C9P | sing | 1.35Å | 1.34Å | |
| N8P | C7P | sing | 1.47Å | 1.47Å | |
| O7A | P3B | sing | 1.61Å | 1.48Å | |
| O9A | P3B | sing | 1.61Å | 1.48Å | |
| C9P | O9P | doub | 1.21Å | 1.23Å | |
| P3B | O3B | sing | 1.61Å | 1.61Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| CBP | CEP | sing | 1.53Å | 1.53Å | |
| CBP | CCP | sing | 1.53Å | 1.54Å | |
| O6A | CCP | sing | 1.43Å | 1.44Å | |
| O6A | P2A | sing | 1.61Å | 1.58Å | |
| O3B | C3B | sing | 1.43Å | 1.45Å | |
| O1A | P1A | doub | 1.48Å | 1.49Å | |
| O5A | P2A | doub | 1.48Å | 1.48Å | |
| C3B | C4B | sing | 1.54Å | 1.53Å | |
| C3B | C2B | sing | 1.55Å | 1.52Å | |
| P2A | O4A | sing | 1.61Å | 1.47Å | |
| P2A | O3A | sing | 1.61Å | 1.63Å | |
| O2B | C2B | sing | 1.43Å | 1.43Å | |
| C5B | C4B | sing | 1.53Å | 1.54Å | |
| C5B | O5B | sing | 1.43Å | 1.44Å | |
| C4B | O4B | sing | 1.44Å | 1.46Å | |
| P1A | O3A | sing | 1.61Å | 1.64Å | |
| P1A | O5B | sing | 1.61Å | 1.63Å | |
| P1A | O2A | sing | 1.61Å | 1.47Å | |
| C2B | C1B | sing | 1.55Å | 1.52Å | |
| C1B | O4B | sing | 1.44Å | 1.44Å | |
| C1B | N9A | sing | 1.46Å | 1.49Å | |
| N9A | C8A | sing | 1.36Å | 1.33Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.33Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.33Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.36Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.41Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.35Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.34Å | Aromatic |
| C2A | N1A | doub | 1.32Å | 1.42Å | Aromatic |
| C5A | C6A | doub | 1.41Å | 1.35Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.35Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C2P | H8 | sing | 1.09Å | 1.10Å | |
| C2P | H9 | sing | 1.09Å | 1.10Å | |
| C3P | H10 | sing | 1.09Å | 1.10Å | |
| C3P | H11 | sing | 1.09Å | 1.10Å | |
| N4P | H12 | sing | 0.97Å | 1.00Å | |
| C6P | H13 | sing | 1.09Å | 1.10Å | |
| C6P | H14 | sing | 1.09Å | 1.10Å | |
| C7P | H15 | sing | 1.09Å | 1.10Å | |
| C7P | H16 | sing | 1.09Å | 1.10Å | |
| N8P | H17 | sing | 0.97Å | 1.00Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å | |
| OAP | H19 | sing | 0.97Å | 0.95Å | |
| CDP | H20 | sing | 1.09Å | 1.10Å | |
| CDP | H21 | sing | 1.09Å | 1.10Å | |
| CDP | H22 | sing | 1.09Å | 1.10Å | |
| CEP | H23 | sing | 1.09Å | 1.10Å | |
| CEP | H24 | sing | 1.09Å | 1.10Å | |
| CEP | H25 | sing | 1.09Å | 1.10Å | |
| CCP | H26 | sing | 1.09Å | 1.10Å | |
| CCP | H27 | sing | 1.09Å | 1.10Å | |
| O4A | H28 | sing | 0.97Å | 0.95Å | |
| O2A | H29 | sing | 0.97Å | 0.95Å | |
| C5B | H30 | sing | 1.09Å | 1.10Å | |
| C5B | H31 | sing | 1.09Å | 1.10Å | |
| C4B | H32 | sing | 1.09Å | 1.10Å | |
| C3B | H33 | sing | 1.09Å | 1.10Å | |
| O7A | H34 | sing | 0.97Å | 0.95Å | |
| O9A | H35 | sing | 0.97Å | 0.95Å | |
| C2B | H36 | sing | 1.09Å | 1.10Å | |
| O2B | H37 | sing | 0.97Å | 0.95Å | |
| C1B | H38 | sing | 1.09Å | 1.10Å | |
| C8A | H39 | sing | 1.08Å | 1.08Å | |
| C2A | H40 | sing | 1.08Å | 1.08Å | |
| N6A | H41 | sing | 0.97Å | 1.00Å | |
| N6A | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C1 | 112.4° | 109.5° |
| C2 | C3 | O3 | 107.6° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.5° |
| C3 | C2 | H4 | 109.5° | 109.5° |
| C3 | C2 | H5 | 109.5° | 109.5° |
| C3 | C2 | H6 | 109.4° | 109.5° |
| O1 | C1 | C3 | 122.4° | 120.0° |
| O1 | C1 | S1P | 124.5° | 120.0° |
| OAP | CAP | C9P | 112.1° | 109.5° |
| OAP | CAP | CBP | 114.3° | 109.5° |
| OAP | CAP | H18 | 104.8° | 109.4° |
| CAP | OAP | H19 | 109.5° | 114.0° |
| C3 | C1 | S1P | 113.2° | 120.0° |
| C1 | C3 | O3 | 108.3° | 109.5° |
| C1 | C3 | C4 | 109.3° | 109.5° |
| C1 | S1P | C2P | 103.3° | 100.0° |
| O3 | C3 | C4 | 109.0° | 109.4° |
| C3 | O3 | H7 | 109.5° | 114.0° |
| C3 | C4 | H1 | 109.5° | 109.4° |
| C3 | C4 | H2 | 109.5° | 109.4° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C3P | C2P | S1P | 110.2° | 109.5° |
| C2P | C3P | N4P | 108.0° | 109.5° |
| C3P | C2P | H8 | 109.3° | 109.5° |
| C3P | C2P | H9 | 109.3° | 109.5° |
| C2P | C3P | H10 | 109.8° | 109.5° |
| C2P | C3P | H11 | 109.8° | 109.4° |
| S1P | C2P | H8 | 109.3° | 109.4° |
| S1P | C2P | H9 | 109.3° | 109.5° |
| C3P | N4P | C5P | 122.3° | 120.0° |
| N4P | C3P | H10 | 109.9° | 109.5° |
| N4P | C3P | H11 | 109.8° | 109.5° |
| C3P | N4P | H12 | 118.8° | 120.0° |
| N4P | C5P | C6P | 112.9° | 120.1° |
| N4P | C5P | O5P | 124.3° | 119.9° |
| C5P | N4P | H12 | 118.9° | 119.9° |
| O8A | P3B | O7A | 116.3° | 109.5° |
| O8A | P3B | O9A | 115.4° | 109.5° |
| O8A | P3B | O3B | 102.5° | 109.5° |
| C9P | CAP | CBP | 116.6° | 109.5° |
| CAP | C9P | N8P | 116.0° | 120.0° |
| CAP | C9P | O9P | 121.2° | 120.0° |
| C9P | CAP | H18 | 103.7° | 109.5° |
| CAP | CBP | CDP | 109.8° | 109.5° |
| CAP | CBP | CEP | 111.6° | 109.4° |
| CAP | CBP | CCP | 111.4° | 109.5° |
| CBP | CAP | H18 | 103.6° | 109.4° |
| C5P | C6P | C7P | 112.4° | 109.5° |
| C6P | C5P | O5P | 122.8° | 120.0° |
| C5P | C6P | H13 | 108.7° | 109.4° |
| C5P | C6P | H14 | 108.7° | 109.5° |
| C6P | C7P | N8P | 110.4° | 109.4° |
| C7P | C6P | H13 | 108.7° | 109.5° |
| C7P | C6P | H14 | 108.8° | 109.5° |
| C6P | C7P | H15 | 109.2° | 109.5° |
| C6P | C7P | H16 | 109.2° | 109.4° |
| CDP | CBP | CEP | 107.9° | 109.5° |
| CDP | CBP | CCP | 106.5° | 109.5° |
| CBP | CDP | H20 | 109.5° | 109.5° |
| CBP | CDP | H21 | 109.5° | 109.5° |
| CBP | CDP | H22 | 109.5° | 109.5° |
| C9P | N8P | C7P | 121.3° | 120.0° |
| N8P | C9P | O9P | 122.7° | 120.0° |
| C9P | N8P | H17 | 119.4° | 120.0° |
| N8P | C7P | H15 | 109.3° | 109.5° |
| N8P | C7P | H16 | 109.2° | 109.5° |
| C7P | N8P | H17 | 119.4° | 120.0° |
| O7A | P3B | O9A | 114.7° | 109.5° |
| O7A | P3B | O3B | 103.1° | 109.5° |
| P3B | O7A | H34 | 109.5° | 114.0° |
| O9A | P3B | O3B | 101.9° | 109.4° |
| P3B | O9A | H35 | 109.5° | 114.0° |
| P3B | O3B | C3B | 123.4° | 123.0° |
| CEP | CBP | CCP | 109.4° | 109.5° |
| CBP | CEP | H23 | 109.5° | 109.5° |
| CBP | CEP | H24 | 109.5° | 109.4° |
| CBP | CEP | H25 | 109.5° | 109.5° |
| CBP | CCP | O6A | 108.7° | 109.5° |
| CBP | CCP | H26 | 109.6° | 109.4° |
| CBP | CCP | H27 | 109.7° | 109.5° |
| CCP | O6A | P2A | 124.7° | 123.0° |
| O6A | CCP | H26 | 109.7° | 109.5° |
| O6A | CCP | H27 | 109.6° | 109.5° |
| O6A | P2A | O5A | 107.1° | 109.5° |
| O6A | P2A | O4A | 109.9° | 109.5° |
| O6A | P2A | O3A | 100.4° | 109.5° |
| O3B | C3B | C4B | 108.3° | 110.5° |
| O3B | C3B | C2B | 110.7° | 110.5° |
| O3B | C3B | H33 | 112.1° | 110.6° |
| O1A | P1A | O3A | 112.5° | 109.5° |
| O1A | P1A | O5B | 111.5° | 109.5° |
| O1A | P1A | O2A | 118.3° | 109.5° |
| O5A | P2A | O4A | 118.7° | 109.4° |
| O5A | P2A | O3A | 111.4° | 109.4° |
| C4B | C3B | C2B | 103.5° | 104.2° |
| C3B | C4B | C5B | 111.0° | 109.9° |
| C3B | C4B | O4B | 106.8° | 107.3° |
| C3B | C4B | H32 | 108.9° | 110.1° |
| C4B | C3B | H33 | 110.9° | 110.5° |
| C3B | C2B | O2B | 111.9° | 110.9° |
| C3B | C2B | C1B | 102.1° | 102.1° |
| C2B | C3B | H33 | 111.1° | 110.5° |
| C3B | C2B | H36 | 109.8° | 110.9° |
| O4A | P2A | O3A | 107.8° | 109.4° |
| P2A | O4A | H28 | 109.5° | 114.0° |
| P2A | O3A | P1A | 127.3° | 134.0° |
| O2B | C2B | C1B | 111.7° | 110.9° |
| O2B | C2B | H36 | 111.1° | 110.8° |
| C2B | O2B | H37 | 109.5° | 114.0° |
| C4B | C5B | O5B | 110.0° | 109.5° |
| C5B | C4B | O4B | 111.7° | 109.8° |
| C4B | C5B | H30 | 109.3° | 109.5° |
| C4B | C5B | H31 | 109.3° | 109.4° |
| C5B | C4B | H32 | 108.7° | 109.9° |
| C5B | O5B | P1A | 123.7° | 123.0° |
| O5B | C5B | H30 | 109.3° | 109.5° |
| O5B | C5B | H31 | 109.3° | 109.5° |
| C4B | O4B | C1B | 108.5° | 107.0° |
| O4B | C4B | H32 | 109.8° | 109.8° |
| O3A | P1A | O5B | 97.0° | 109.4° |
| O3A | P1A | O2A | 107.2° | 109.5° |
| O5B | P1A | O2A | 108.1° | 109.5° |
| P1A | O2A | H29 | 109.5° | 114.0° |
| C2B | C1B | O4B | 106.2° | 103.5° |
| C2B | C1B | N9A | 112.5° | 110.6° |
| C1B | C2B | H36 | 109.9° | 110.9° |
| C2B | C1B | H38 | 109.3° | 110.6° |
| O4B | C1B | N9A | 109.0° | 110.6° |
| O4B | C1B | H38 | 110.3° | 110.6° |
| C1B | N9A | C8A | 128.8° | 126.3° |
| C1B | N9A | C4A | 122.9° | 126.3° |
| N9A | C1B | H38 | 109.6° | 110.7° |
| C8A | N9A | C4A | 108.3° | 107.4° |
| N9A | C8A | N7A | 108.2° | 109.9° |
| N9A | C8A | H39 | 125.9° | 125.0° |
| N9A | C4A | N3A | 130.9° | 134.9° |
| N9A | C4A | C5A | 107.8° | 106.0° |
| C8A | N7A | C5A | 108.3° | 109.5° |
| N7A | C8A | H39 | 125.9° | 125.1° |
| C4A | N3A | C2A | 120.4° | 120.6° |
| N3A | C4A | C5A | 121.4° | 119.1° |
| N3A | C2A | N1A | 116.2° | 122.5° |
| N3A | C2A | H40 | 121.9° | 118.8° |
| C4A | C5A | N7A | 107.5° | 107.1° |
| C4A | C5A | C6A | 120.1° | 118.1° |
| N7A | C5A | C6A | 132.4° | 134.7° |
| C2A | N1A | C6A | 120.5° | 121.2° |
| N1A | C2A | H40 | 121.9° | 118.8° |
| C5A | C6A | N1A | 121.4° | 118.5° |
| C5A | C6A | N6A | 117.5° | 120.7° |
| N1A | C6A | N6A | 121.0° | 120.8° |
| C6A | N6A | H41 | 109.5° | 120.0° |
| C6A | N6A | H42 | 109.5° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
| H4 | C2 | H6 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H8 | C2P | H9 | 109.4° | 109.5° |
| H10 | C3P | H11 | 109.4° | 109.5° |
| H13 | C6P | H14 | 109.5° | 109.5° |
| H15 | C7P | H16 | 109.5° | 109.5° |
| H20 | CDP | H21 | 109.5° | 109.5° |
| H20 | CDP | H22 | 109.5° | 109.4° |
| H21 | CDP | H22 | 109.5° | 109.5° |
| H23 | CEP | H24 | 109.4° | 109.4° |
| H23 | CEP | H25 | 109.5° | 109.5° |
| H24 | CEP | H25 | 109.5° | 109.5° |
| H26 | CCP | H27 | 109.5° | 109.5° |
| H30 | C5B | H31 | 109.5° | 109.5° |
| H41 | N6A | H42 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C1 | O1 | 40.3° | 120.0° |
| C2 | C3 | C1 | O3 | 118.8° | 120.0° |
| C2 | C3 | C1 | C4 | 122.6° | 120.0° |
| C2 | C3 | C1 | S1P | 139.6° | 60.0° |
| C2 | C3 | O3 | C4 | 119.5° | 120.0° |
| C2 | C3 | C4 | H1 | 180.0° | 60.0° |
| C2 | C3 | C4 | H2 | 60.0° | 60.0° |
| C2 | C3 | C4 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | H4 | H6 | 120.0° | 120.0° |
| C3 | C2 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | O3 | H7 | 180.0° | 60.0° |
| O1 | C1 | C3 | S1P | 179.9° | 180.0° |
| O1 | C1 | C3 | O3 | 159.1° | 0.1° |
| O1 | C1 | C3 | C4 | 82.3° | 120.0° |
| O1 | C1 | S1P | C2P | 1.6° | 0.0° |
| OAP | CAP | C9P | CBP | 134.4° | 120.0° |
| OAP | CAP | C9P | H18 | 112.5° | 120.0° |
| OAP | CAP | CBP | H18 | 113.4° | 119.9° |
| OAP | CAP | CBP | CDP | 56.1° | 174.0° |
| OAP | CAP | C9P | N8P | 36.5° | 11.8° |
| OAP | CAP | C9P | O9P | 139.0° | 168.3° |
| OAP | CAP | CBP | CEP | 63.5° | 66.0° |
| OAP | CAP | CBP | CCP | 173.8° | 54.0° |
| C1 | C3 | O3 | C4 | 118.8° | 120.0° |
| C3 | C1 | S1P | C2P | 178.3° | 180.0° |
| C1 | C3 | C4 | H1 | 56.1° | 180.0° |
| C1 | C3 | C4 | H2 | 176.1° | 60.0° |
| C1 | C3 | C4 | H3 | 63.9° | 60.0° |
| C1 | C3 | C2 | H4 | 180.0° | 60.0° |
| C1 | C3 | C2 | H5 | 60.0° | 60.0° |
| C1 | C3 | C2 | H6 | 60.0° | 180.0° |
| C1 | C3 | O3 | H7 | 58.2° | 180.0° |
| S1P | C1 | C3 | O3 | 20.8° | 180.0° |
| S1P | C1 | C3 | C4 | 97.8° | 60.0° |
| C1 | S1P | C2P | C3P | 168.7° | 180.0° |
| C1 | S1P | C2P | H8 | 48.6° | 60.0° |
| C1 | S1P | C2P | H9 | 71.2° | 60.0° |
| O3 | C3 | C4 | H1 | 62.1° | 60.0° |
| O3 | C3 | C4 | H2 | 57.9° | 180.0° |
| O3 | C3 | C4 | H3 | 177.9° | 59.9° |
| O3 | C3 | C2 | H4 | 60.9° | 60.0° |
| O3 | C3 | C2 | H5 | 59.1° | 179.9° |
| O3 | C3 | C2 | H6 | 179.2° | 60.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.0° |
| C3 | C4 | H1 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H4 | 57.9° | 180.0° |
| C4 | C3 | C2 | H5 | 177.9° | 60.0° |
| C4 | C3 | C2 | H6 | 62.1° | 60.0° |
| C4 | C3 | O3 | H7 | 60.6° | 60.1° |
| C3P | C2P | S1P | H8 | 120.1° | 120.0° |
| C3P | C2P | S1P | H9 | 120.1° | 120.0° |
| C2P | C3P | N4P | H10 | 119.8° | 120.0° |
| C2P | C3P | N4P | H11 | 119.8° | 120.0° |
| C2P | C3P | N4P | C5P | 156.3° | 180.0° |
| C3P | C2P | H8 | H9 | 119.7° | 120.0° |
| C2P | C3P | H10 | H11 | 120.7° | 120.0° |
| C2P | C3P | N4P | H12 | 23.8° | 0.0° |
| S1P | C2P | C3P | N4P | 175.7° | 180.0° |
| S1P | C2P | H8 | H9 | 119.7° | 120.0° |
| S1P | C2P | C3P | H10 | 64.5° | 60.0° |
| S1P | C2P | C3P | H11 | 55.9° | 60.0° |
| C3P | N4P | C5P | H12 | 180.0° | 180.0° |
| C3P | N4P | C5P | C6P | 179.1° | 180.0° |
| C3P | N4P | C5P | O5P | 1.0° | 0.1° |
| N4P | C3P | C2P | H8 | 64.2° | 60.0° |
| N4P | C3P | C2P | H9 | 55.6° | 60.0° |
| N4P | C3P | H10 | H11 | 120.7° | 120.0° |
| N4P | C5P | C6P | O5P | 179.9° | 179.9° |
| N4P | C5P | C6P | C7P | 173.8° | 180.0° |
| C5P | N4P | C3P | H10 | 84.0° | 60.0° |
| C5P | N4P | C3P | H11 | 36.5° | 60.0° |
| N4P | C5P | C6P | H13 | 65.7° | 60.0° |
| N4P | C5P | C6P | H14 | 53.4° | 60.0° |
| O8A | P3B | O7A | O9A | 138.9° | 120.0° |
| O8A | P3B | O7A | O3B | 111.3° | 120.0° |
| O8A | P3B | O9A | O3B | 110.2° | 120.0° |
| O8A | P3B | O3B | C3B | 60.3° | 55.0° |
| O8A | P3B | O7A | H34 | 0.0° | 180.0° |
| O8A | P3B | O9A | H35 | 0.0° | 60.0° |
| C9P | CAP | CBP | H18 | 113.1° | 120.0° |
| C9P | CAP | CBP | CDP | 170.4° | 65.9° |
| CAP | C9P | N8P | O9P | 175.4° | 179.9° |
| CAP | C9P | N8P | C7P | 176.9° | 174.9° |
| C9P | CAP | CBP | CEP | 70.0° | 54.0° |
| C9P | CAP | CBP | CCP | 52.7° | 174.1° |
| CAP | C9P | N8P | H17 | 3.1° | 5.2° |
| C9P | CAP | OAP | H19 | 180.0° | 60.0° |
| CAP | CBP | CDP | CEP | 121.9° | 119.9° |
| CAP | CBP | CDP | CCP | 120.8° | 120.0° |
| CBP | CAP | C9P | N8P | 98.0° | 108.2° |
| CBP | CAP | C9P | O9P | 86.6° | 71.7° |
| CAP | CBP | CEP | CCP | 123.8° | 120.0° |
| CAP | CBP | CCP | O6A | 52.3° | 180.0° |
| CBP | CAP | OAP | H19 | 44.4° | 60.1° |
| CAP | CBP | CDP | H20 | 180.0° | 64.3° |
| CAP | CBP | CDP | H21 | 60.0° | 175.7° |
| CAP | CBP | CDP | H22 | 60.0° | 55.6° |
| CAP | CBP | CEP | H23 | 180.0° | 60.1° |
| CAP | CBP | CEP | H24 | 60.0° | 180.0° |
| CAP | CBP | CEP | H25 | 60.0° | 60.0° |
| CAP | CBP | CCP | H26 | 67.6° | 60.0° |
| CAP | CBP | CCP | H27 | 172.2° | 60.0° |
| C5P | C6P | C7P | H13 | 120.4° | 120.0° |
| C5P | C6P | C7P | H14 | 120.4° | 120.0° |
| C5P | C6P | C7P | N8P | 175.9° | 180.0° |
| C6P | C5P | N4P | H12 | 0.9° | 0.0° |
| C5P | C6P | H13 | H14 | 118.6° | 120.0° |
| C5P | C6P | C7P | H15 | 63.9° | 60.0° |
| C5P | C6P | C7P | H16 | 55.8° | 60.0° |
| C6P | C7P | N8P | C9P | 170.3° | 180.0° |
| C6P | C7P | N8P | H15 | 120.1° | 120.0° |
| C6P | C7P | N8P | H16 | 120.1° | 119.9° |
| C7P | C6P | C5P | O5P | 6.1° | 0.0° |
| C7P | C6P | H13 | H14 | 118.7° | 120.0° |
| C6P | C7P | H15 | H16 | 119.6° | 120.0° |
| C6P | C7P | N8P | H17 | 9.7° | 0.0° |
| CDP | CBP | CEP | CCP | 115.5° | 120.0° |
| CDP | CBP | CCP | O6A | 67.4° | 60.0° |
| CDP | CBP | CAP | H18 | 57.3° | 54.1° |
| CBP | CDP | H20 | H21 | 120.0° | 120.0° |
| CBP | CDP | H20 | H22 | 120.0° | 120.0° |
| CBP | CDP | H21 | H22 | 120.0° | 120.0° |
| CDP | CBP | CEP | H23 | 59.3° | 180.0° |
| CDP | CBP | CEP | H24 | 179.3° | 60.0° |
| CDP | CBP | CEP | H25 | 60.7° | 59.9° |
| CDP | CBP | CCP | H26 | 172.7° | 180.0° |
| CDP | CBP | CCP | H27 | 52.5° | 60.0° |
| C9P | N8P | C7P | H17 | 180.0° | 179.9° |
| C9P | N8P | C7P | H15 | 50.2° | 60.0° |
| C9P | N8P | C7P | H16 | 69.6° | 60.1° |
| N8P | C9P | CAP | H18 | 148.9° | 131.8° |
| C7P | N8P | C9P | O9P | 1.5° | 5.0° |
| N8P | C7P | C6P | H13 | 55.5° | 60.0° |
| N8P | C7P | C6P | H14 | 63.6° | 60.1° |
| N8P | C7P | H15 | H16 | 119.6° | 120.1° |
| O7A | P3B | O9A | O3B | 110.5° | 120.0° |
| O7A | P3B | O3B | C3B | 60.8° | 65.0° |
| O7A | P3B | O9A | H35 | 139.3° | 60.0° |
| O9A | P3B | O3B | C3B | 179.9° | 175.0° |
| O9A | P3B | O7A | H34 | 138.9° | 60.0° |
| O9P | C9P | N8P | H17 | 178.5° | 174.9° |
| O9P | C9P | CAP | H18 | 26.5° | 48.3° |
| P3B | O3B | C3B | C4B | 108.7° | 120.0° |
| P3B | O3B | C3B | C2B | 138.5° | 125.2° |
| P3B | O3B | C3B | H33 | 13.9° | 2.6° |
| O3B | P3B | O7A | H34 | 111.3° | 60.0° |
| O3B | P3B | O9A | H35 | 110.2° | 180.0° |
| O5P | C5P | N4P | H12 | 179.0° | 180.0° |
| O5P | C5P | C6P | H13 | 114.4° | 120.0° |
| O5P | C5P | C6P | H14 | 126.5° | 119.9° |
| CEP | CBP | CCP | O6A | 176.2° | 60.0° |
| CEP | CBP | CAP | H18 | 176.9° | 174.0° |
| CEP | CBP | CDP | H20 | 58.1° | 55.6° |
| CEP | CBP | CDP | H21 | 61.9° | 64.4° |
| CEP | CBP | CDP | H22 | 178.1° | 175.6° |
| CBP | CEP | H23 | H24 | 120.0° | 119.9° |
| CBP | CEP | H23 | H25 | 120.0° | 120.1° |
| CBP | CEP | H24 | H25 | 120.0° | 120.0° |
| CEP | CBP | CCP | H26 | 56.4° | 60.0° |
| CEP | CBP | CCP | H27 | 63.9° | 180.0° |
| CBP | CCP | O6A | H26 | 119.9° | 120.0° |
| CBP | CCP | O6A | H27 | 119.9° | 120.0° |
| CBP | CCP | O6A | P2A | 161.5° | 180.0° |
| CCP | CBP | CAP | H18 | 60.4° | 65.9° |
| CCP | CBP | CDP | H20 | 59.2° | 175.6° |
| CCP | CBP | CDP | H21 | 179.3° | 55.6° |
| CCP | CBP | CDP | H22 | 60.8° | 64.4° |
| CCP | CBP | CEP | H23 | 56.2° | 60.0° |
| CCP | CBP | CEP | H24 | 63.8° | 60.0° |
| CCP | CBP | CEP | H25 | 176.2° | 180.0° |
| CBP | CCP | H26 | H27 | 120.4° | 120.0° |
| CCP | O6A | P2A | O5A | 173.1° | 55.0° |
| CCP | O6A | P2A | O4A | 42.9° | 65.0° |
| CCP | O6A | P2A | O3A | 70.5° | 175.0° |
| O6A | CCP | H26 | H27 | 120.3° | 120.0° |
| O6A | P2A | O5A | O4A | 125.1° | 120.0° |
| O6A | P2A | O5A | O3A | 108.8° | 120.1° |
| O6A | P2A | O4A | O3A | 108.5° | 120.1° |
| O6A | P2A | O3A | P1A | 66.7° | 165.0° |
| P2A | O6A | CCP | H26 | 41.6° | 60.0° |
| P2A | O6A | CCP | H27 | 78.6° | 60.0° |
| O6A | P2A | O4A | H28 | 123.7° | 60.0° |
| O3B | C3B | C4B | C2B | 117.5° | 118.6° |
| O3B | C3B | C4B | H33 | 123.3° | 122.7° |
| O3B | C3B | C2B | H33 | 125.2° | 122.7° |
| O3B | C3B | C2B | O2B | 37.8° | 20.4° |
| O3B | C3B | C4B | C5B | 142.8° | 119.9° |
| O3B | C3B | C4B | O4B | 95.3° | 120.7° |
| O3B | C3B | C2B | C1B | 81.7° | 97.8° |
| O3B | C3B | C4B | H32 | 23.1° | 1.2° |
| O3B | C3B | C2B | H36 | 161.7° | 144.0° |
| O1A | P1A | O3A | P2A | 18.5° | 45.1° |
| O1A | P1A | O5B | C5B | 24.9° | 55.0° |
| O1A | P1A | O3A | O5B | 116.8° | 120.0° |
| O1A | P1A | O3A | O2A | 131.7° | 120.0° |
| O1A | P1A | O5B | O2A | 131.7° | 120.0° |
| O1A | P1A | O2A | H29 | 0.0° | 180.0° |
| O5A | P2A | O4A | O3A | 127.8° | 119.9° |
| O5A | P2A | O3A | P1A | 46.5° | 44.9° |
| O5A | P2A | O4A | H28 | 0.0° | 180.0° |
| C4B | C3B | C2B | H33 | 119.0° | 118.7° |
| C4B | C3B | C2B | O2B | 153.6° | 139.1° |
| C3B | C4B | C5B | O4B | 119.0° | 117.9° |
| C3B | C4B | C5B | H32 | 119.7° | 121.2° |
| C3B | C4B | C5B | O5B | 72.8° | 175.7° |
| C3B | C4B | O4B | H32 | 117.8° | 119.6° |
| C4B | C3B | C2B | C1B | 34.0° | 20.9° |
| C3B | C4B | O4B | C1B | 0.6° | 26.5° |
| C3B | C4B | C5B | H30 | 167.1° | 64.3° |
| C3B | C4B | C5B | H31 | 47.3° | 55.7° |
| C4B | C3B | C2B | H36 | 82.5° | 97.3° |
| C3B | C2B | O2B | C1B | 113.7° | 112.7° |
| C3B | C2B | O2B | H36 | 123.2° | 123.6° |
| C2B | C3B | C4B | C5B | 99.7° | 121.4° |
| C2B | C3B | C4B | O4B | 22.2° | 2.0° |
| C3B | C2B | C1B | H36 | 116.5° | 118.2° |
| C3B | C2B | C1B | O4B | 34.7° | 37.0° |
| C3B | C2B | C1B | N9A | 153.8° | 155.5° |
| C2B | C3B | C4B | H32 | 140.7° | 117.4° |
| C3B | C2B | O2B | H37 | 180.0° | 180.0° |
| C3B | C2B | C1B | H38 | 84.2° | 81.5° |
| O4A | P2A | O3A | P1A | 178.3° | 75.0° |
| P2A | O3A | P1A | O5B | 98.4° | 165.0° |
| P2A | O3A | P1A | O2A | 150.2° | 75.0° |
| O3A | P2A | O4A | H28 | 127.8° | 60.0° |
| O2B | C2B | C1B | H36 | 123.8° | 123.6° |
| O2B | C2B | C1B | O4B | 154.4° | 155.2° |
| O2B | C2B | C1B | N9A | 86.5° | 86.3° |
| O2B | C2B | C3B | H33 | 87.3° | 102.3° |
| O2B | C2B | C1B | H38 | 35.5° | 36.7° |
| C4B | C5B | O5B | H30 | 120.1° | 120.0° |
| C4B | C5B | O5B | H31 | 120.1° | 119.9° |
| C5B | C4B | O4B | H32 | 120.7° | 121.0° |
| C4B | C5B | O5B | P1A | 117.7° | 180.0° |
| C5B | C4B | O4B | C1B | 120.9° | 145.9° |
| C4B | C5B | H30 | H31 | 119.7° | 119.9° |
| C5B | C4B | C3B | H33 | 19.4° | 2.8° |
| O5B | C5B | C4B | O4B | 46.2° | 66.5° |
| C5B | O5B | P1A | O3A | 92.7° | 175.0° |
| C5B | O5B | P1A | O2A | 156.6° | 65.0° |
| O5B | C5B | H30 | H31 | 119.7° | 120.0° |
| O5B | C5B | C4B | H32 | 167.5° | 54.5° |
| C4B | O4B | C1B | C2B | 21.5° | 40.0° |
| C4B | O4B | C1B | N9A | 142.9° | 158.6° |
| O4B | C4B | C5B | H30 | 73.9° | 53.6° |
| O4B | C4B | C5B | H31 | 166.3° | 173.6° |
| O4B | C4B | C3B | H33 | 141.4° | 116.6° |
| C4B | O4B | C1B | H38 | 96.7° | 78.5° |
| O3A | P1A | O5B | O2A | 110.7° | 120.0° |
| O3A | P1A | O2A | H29 | 128.5° | 60.0° |
| O5B | P1A | O2A | H29 | 128.0° | 59.9° |
| P1A | O5B | C5B | H30 | 122.2° | 60.0° |
| P1A | O5B | C5B | H31 | 2.4° | 60.1° |
| C2B | C1B | O4B | N9A | 121.4° | 118.5° |
| C2B | C1B | O4B | H38 | 118.3° | 118.5° |
| C2B | C1B | N9A | H38 | 121.8° | 123.0° |
| C2B | C1B | N9A | C8A | 64.3° | 95.0° |
| C2B | C1B | N9A | C4A | 116.9° | 84.7° |
| C1B | C2B | C3B | H33 | 153.1° | 139.5° |
| C1B | C2B | O2B | H37 | 66.2° | 67.3° |
| O4B | C1B | N9A | H38 | 120.8° | 122.9° |
| O4B | C1B | N9A | C8A | 53.2° | 19.1° |
| O4B | C1B | N9A | C4A | 125.6° | 161.2° |
| C1B | O4B | C4B | H32 | 118.5° | 93.1° |
| O4B | C1B | C2B | H36 | 81.8° | 81.2° |
| C1B | N9A | C8A | C4A | 178.9° | 179.7° |
| C1B | N9A | C8A | N7A | 179.7° | 180.0° |
| C1B | N9A | C4A | N3A | 0.3° | 0.0° |
| C1B | N9A | C4A | C5A | 179.8° | 179.9° |
| N9A | C1B | C2B | H36 | 37.3° | 37.3° |
| C1B | N9A | C8A | H39 | 0.3° | 0.0° |
| N9A | C8A | N7A | H39 | 180.0° | 180.0° |
| C8A | N9A | C4A | N3A | 179.3° | 179.8° |
| C8A | N9A | C4A | C5A | 1.2° | 0.4° |
| N9A | C8A | N7A | C5A | 1.0° | 0.0° |
| C8A | N9A | C1B | H38 | 173.9° | 142.0° |
| C4A | N9A | C8A | N7A | 1.4° | 0.3° |
| N9A | C4A | N3A | C5A | 179.4° | 179.8° |
| N9A | C4A | N3A | C2A | 179.9° | 180.0° |
| N9A | C4A | C5A | N7A | 0.6° | 0.4° |
| N9A | C4A | C5A | C6A | 179.5° | 179.8° |
| C4A | N9A | C1B | H38 | 4.8° | 38.3° |
| C4A | N9A | C8A | H39 | 178.6° | 179.8° |
| C8A | N7A | C5A | C4A | 0.3° | 0.2° |
| C8A | N7A | C5A | C6A | 179.6° | 180.0° |
| N3A | C4A | C5A | N7A | 179.9° | 179.7° |
| C4A | N3A | C2A | N1A | 0.4° | 0.0° |
| N3A | C4A | C5A | C6A | 0.0° | 0.1° |
| C4A | N3A | C2A | H40 | 179.6° | 180.0° |
| C2A | N3A | C4A | C5A | 0.7° | 0.1° |
| N3A | C2A | N1A | H40 | 180.0° | 180.0° |
| N3A | C2A | N1A | C6A | 0.6° | 0.4° |
| C4A | C5A | N7A | C6A | 179.9° | 179.7° |
| C4A | C5A | C6A | N1A | 1.1° | 0.4° |
| C4A | C5A | C6A | N6A | 180.0° | 179.7° |
| N7A | C5A | C6A | N1A | 178.8° | 179.3° |
| N7A | C5A | C6A | N6A | 0.1° | 0.0° |
| C5A | N7A | C8A | H39 | 179.0° | 180.0° |
| C2A | N1A | C6A | C5A | 1.4° | 0.6° |
| C2A | N1A | C6A | N6A | 179.8° | 179.9° |
| C5A | C6A | N1A | N6A | 178.9° | 179.3° |
| C5A | C6A | N6A | H41 | 178.9° | 0.1° |
| C5A | C6A | N6A | H42 | 58.9° | 179.9° |
| C6A | N1A | C2A | H40 | 179.4° | 179.6° |
| N1A | C6A | N6A | H41 | 0.0° | 179.3° |
| N1A | C6A | N6A | H42 | 120.0° | 0.6° |
| C6A | N6A | H41 | H42 | 120.0° | 179.9° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | H5 | H6 | 119.9° | 120.0° |
| H8 | C2P | C3P | H10 | 55.6° | 180.0° |
| H8 | C2P | C3P | H11 | 176.0° | 60.0° |
| H9 | C2P | C3P | H10 | 175.4° | 60.0° |
| H9 | C2P | C3P | H11 | 64.2° | 180.0° |
| H10 | C3P | N4P | H12 | 96.0° | 120.0° |
| H11 | C3P | N4P | H12 | 143.5° | 120.0° |
| H13 | C6P | C7P | H15 | 175.7° | 180.0° |
| H13 | C6P | C7P | H16 | 64.6° | 59.9° |
| H14 | C6P | C7P | H15 | 56.5° | 60.0° |
| H14 | C6P | C7P | H16 | 176.3° | 180.0° |
| H15 | C7P | N8P | H17 | 129.9° | 119.9° |
| H16 | C7P | N8P | H17 | 110.4° | 120.0° |
| H18 | CAP | OAP | H19 | 68.2° | 180.0° |
| H20 | CDP | H21 | H22 | 120.0° | 119.9° |
| H23 | CEP | H24 | H25 | 120.0° | 120.1° |
| H30 | C5B | C4B | H32 | 47.4° | 174.5° |
| H31 | C5B | C4B | H32 | 72.4° | 65.5° |
| H32 | C4B | C3B | H33 | 100.2° | 123.9° |
| H33 | C3B | C2B | H36 | 36.5° | 21.4° |
| H36 | C2B | O2B | H37 | 56.9° | 56.4° |
| H36 | C2B | C1B | H38 | 159.3° | 160.4° |
