1XE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | S1P | sing | 1.81Å | 1.76Å | |
| C2 | O21 | sing | 1.43Å | 1.36Å | |
| S1P | C2P | sing | 1.76Å | 1.73Å | |
| C2P | C3P | doub | 1.33Å | 1.50Å | |
| C3P | N4P | sing | 1.40Å | 1.50Å | |
| O9A | P3B | doub | 1.48Å | 1.47Å | |
| O7A | P3B | sing | 1.61Å | 1.59Å | |
| C8A | N7A | doub | 1.30Å | 1.33Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.33Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.35Å | Aromatic |
| O5P | C5P | doub | 1.21Å | 1.28Å | |
| C5B | C4B | sing | 1.51Å | 1.48Å | |
| C5B | O5B | sing | 1.43Å | 1.46Å | |
| O4B | C4B | sing | 1.35Å | 1.31Å | Aromatic |
| O4B | C1B | sing | 1.35Å | 1.32Å | Aromatic |
| N4P | C5P | sing | 1.35Å | 1.48Å | |
| N9A | C1B | sing | 1.40Å | 1.40Å | |
| N9A | C4A | sing | 1.37Å | 1.38Å | Aromatic |
| C4B | C3B | doub | 1.35Å | 1.38Å | Aromatic |
| P3B | O8A | sing | 1.61Å | 1.50Å | |
| P3B | O3B | sing | 1.61Å | 1.56Å | |
| N6A | C6A | sing | 1.38Å | 1.45Å | |
| C5A | C6A | doub | 1.41Å | 1.42Å | Aromatic |
| C5A | C4A | sing | 1.41Å | 1.38Å | Aromatic |
| C1B | C2B | doub | 1.35Å | 1.39Å | Aromatic |
| CDP | CBP | sing | 1.53Å | 1.47Å | |
| O5B | P1A | sing | 1.61Å | 1.63Å | |
| C5P | C6P | sing | 1.51Å | 1.53Å | |
| C6A | N1A | sing | 1.33Å | 1.34Å | Aromatic |
| C4A | N3A | doub | 1.33Å | 1.36Å | Aromatic |
| C3B | C2B | sing | 1.42Å | 1.44Å | Aromatic |
| C3B | O3B | sing | 1.36Å | 1.35Å | |
| C2B | O2B | sing | 1.36Å | 1.44Å | |
| N1A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| CEP | CBP | sing | 1.53Å | 1.51Å | |
| N3A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| CBP | CCP | sing | 1.53Å | 1.53Å | |
| CBP | CAP | sing | 1.53Å | 1.55Å | |
| CCP | O6A | sing | 1.43Å | 1.46Å | |
| C6P | C7P | sing | 1.53Å | 1.52Å | |
| P1A | O3A | sing | 1.61Å | 1.58Å | |
| P1A | O2A | doub | 1.48Å | 1.45Å | |
| P1A | O1A | sing | 1.61Å | 1.54Å | |
| O3A | P2A | sing | 1.61Å | 1.57Å | |
| O9P | C9P | doub | 1.21Å | 1.26Å | |
| CAP | OAP | sing | 1.43Å | 1.41Å | |
| CAP | C9P | sing | 1.51Å | 1.49Å | |
| C9P | N8P | sing | 1.35Å | 1.47Å | |
| O6A | P2A | sing | 1.61Å | 1.60Å | |
| C7P | N8P | sing | 1.46Å | 1.49Å | |
| P2A | O4A | doub | 1.48Å | 1.59Å | |
| P2A | O5A | sing | 1.61Å | 1.55Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2A | H1 | sing | 1.08Å | 1.08Å | |
| N6A | H2 | sing | 0.97Å | 1.00Å | |
| N6A | H3 | sing | 0.97Å | 1.00Å | |
| C8A | H4 | sing | 1.08Å | 1.08Å | |
| O2B | H5 | sing | 0.97Å | 0.95Å | |
| O7A | H6 | sing | 0.97Å | 0.95Å | |
| O8A | H7 | sing | 0.97Å | 0.95Å | |
| C5B | H8 | sing | 1.09Å | 1.10Å | |
| C5B | H9 | sing | 1.09Å | 1.10Å | |
| O1A | H10 | sing | 0.97Å | 0.95Å | |
| O5A | H11 | sing | 0.97Å | 0.95Å | |
| CCP | H12 | sing | 1.09Å | 1.10Å | |
| CCP | H13 | sing | 1.09Å | 1.10Å | |
| CDP | H14 | sing | 1.09Å | 1.10Å | |
| CDP | H15 | sing | 1.09Å | 1.10Å | |
| CDP | H16 | sing | 1.09Å | 1.10Å | |
| CEP | H17 | sing | 1.09Å | 1.10Å | |
| CEP | H18 | sing | 1.09Å | 1.10Å | |
| CEP | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| OAP | H21 | sing | 0.97Å | 0.95Å | |
| N8P | H22 | sing | 0.97Å | 1.00Å | |
| C7P | H23 | sing | 1.09Å | 1.10Å | |
| C7P | H24 | sing | 1.09Å | 1.10Å | |
| C6P | H25 | sing | 1.09Å | 1.10Å | |
| C6P | H26 | sing | 1.09Å | 1.10Å | |
| N4P | H27 | sing | 0.97Å | 1.00Å | |
| C3P | H28 | sing | 1.08Å | 1.08Å | |
| C2P | H29 | sing | 1.08Å | 1.08Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| O21 | H32 | sing | 0.97Å | 0.95Å | |
| O1 | H33 | sing | 0.97Å | 0.95Å | |
| C2 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S1P | 118.5° | 109.5° |
| C1 | C2 | O21 | 115.0° | 109.5° |
| C1 | C2 | O1 | 123.1° | 109.5° |
| C2 | C1 | H30 | 107.2° | 109.5° |
| C2 | C1 | H31 | 107.2° | 109.4° |
| C1 | C2 | H34 | 104.0° | 109.5° |
| C1 | S1P | C2P | 109.8° | 103.0° |
| S1P | C1 | H30 | 107.2° | 109.5° |
| S1P | C1 | H31 | 107.2° | 109.5° |
| O21 | C2 | O1 | 102.3° | 109.5° |
| C2 | O21 | H32 | 109.5° | 114.0° |
| O21 | C2 | H34 | 105.9° | 109.5° |
| S1P | C2P | C3P | 119.6° | 120.0° |
| S1P | C2P | H29 | 120.2° | 120.0° |
| C2P | C3P | N4P | 115.7° | 120.0° |
| C2P | C3P | H28 | 122.2° | 120.0° |
| C3P | C2P | H29 | 120.2° | 120.0° |
| C3P | N4P | C5P | 119.6° | 120.0° |
| C3P | N4P | H27 | 120.2° | 119.9° |
| N4P | C3P | H28 | 122.2° | 120.0° |
| O9A | P3B | O7A | 108.5° | 109.5° |
| O9A | P3B | O8A | 110.5° | 109.5° |
| O9A | P3B | O3B | 108.7° | 109.5° |
| O7A | P3B | O8A | 110.7° | 109.4° |
| O7A | P3B | O3B | 108.2° | 109.5° |
| P3B | O7A | H6 | 109.5° | 114.0° |
| N7A | C8A | N9A | 107.9° | 109.9° |
| C8A | N7A | C5A | 110.0° | 109.5° |
| N7A | C8A | H4 | 126.0° | 125.0° |
| C8A | N9A | C1B | 122.9° | 126.3° |
| C8A | N9A | C4A | 109.1° | 107.4° |
| N9A | C8A | H4 | 126.1° | 125.1° |
| N7A | C5A | C6A | 133.9° | 134.7° |
| N7A | C5A | C4A | 106.8° | 107.2° |
| O5P | C5P | N4P | 115.9° | 120.0° |
| O5P | C5P | C6P | 120.8° | 120.0° |
| C4B | C5B | O5B | 117.1° | 109.4° |
| C5B | C4B | O4B | 126.5° | 125.7° |
| C5B | C4B | C3B | 124.2° | 125.7° |
| C4B | C5B | H8 | 107.5° | 109.5° |
| C4B | C5B | H9 | 107.5° | 109.5° |
| C5B | O5B | P1A | 122.3° | 123.0° |
| O5B | C5B | H8 | 107.5° | 109.5° |
| O5B | C5B | H9 | 107.5° | 109.5° |
| C4B | O4B | C1B | 110.9° | 109.5° |
| O4B | C4B | C3B | 109.3° | 108.6° |
| O4B | C1B | N9A | 122.5° | 125.8° |
| O4B | C1B | C2B | 109.4° | 108.4° |
| N4P | C5P | C6P | 123.3° | 120.0° |
| C5P | N4P | H27 | 120.1° | 120.1° |
| C1B | N9A | C4A | 128.0° | 126.3° |
| N9A | C1B | C2B | 128.1° | 125.8° |
| N9A | C4A | C5A | 106.1° | 106.0° |
| N9A | C4A | N3A | 135.3° | 134.9° |
| C4B | C3B | C2B | 106.0° | 106.8° |
| C4B | C3B | O3B | 125.5° | 126.6° |
| O8A | P3B | O3B | 110.1° | 109.5° |
| P3B | O8A | H7 | 109.5° | 114.0° |
| P3B | O3B | C3B | 116.8° | 114.0° |
| N6A | C6A | C5A | 119.6° | 120.7° |
| N6A | C6A | N1A | 120.9° | 120.8° |
| C6A | N6A | H2 | 109.5° | 120.0° |
| C6A | N6A | H3 | 109.5° | 120.0° |
| C6A | C5A | C4A | 119.3° | 118.1° |
| C5A | C6A | N1A | 119.5° | 118.5° |
| C5A | C4A | N3A | 118.6° | 119.1° |
| C1B | C2B | C3B | 104.4° | 106.7° |
| C1B | C2B | O2B | 129.4° | 126.7° |
| CDP | CBP | CEP | 109.4° | 109.5° |
| CDP | CBP | CCP | 111.6° | 109.5° |
| CDP | CBP | CAP | 111.7° | 109.5° |
| CBP | CDP | H14 | 109.5° | 109.4° |
| CBP | CDP | H15 | 109.4° | 109.4° |
| CBP | CDP | H16 | 109.4° | 109.5° |
| O5B | P1A | O3A | 109.4° | 109.5° |
| O5B | P1A | O2A | 107.7° | 109.5° |
| O5B | P1A | O1A | 111.8° | 109.5° |
| C5P | C6P | C7P | 125.7° | 109.5° |
| C5P | C6P | H25 | 105.3° | 109.5° |
| C5P | C6P | H26 | 105.3° | 109.5° |
| C6A | N1A | C2A | 120.0° | 121.2° |
| C4A | N3A | C2A | 120.7° | 120.6° |
| C2B | C3B | O3B | 128.5° | 126.6° |
| C3B | C2B | O2B | 126.2° | 126.6° |
| C2B | O2B | H5 | 109.5° | 114.1° |
| N1A | C2A | N3A | 122.1° | 122.5° |
| N1A | C2A | H1 | 119.0° | 118.8° |
| CEP | CBP | CCP | 109.3° | 109.5° |
| CEP | CBP | CAP | 107.4° | 109.5° |
| CBP | CEP | H17 | 109.5° | 109.4° |
| CBP | CEP | H18 | 109.5° | 109.5° |
| CBP | CEP | H19 | 109.5° | 109.5° |
| N3A | C2A | H1 | 119.0° | 118.7° |
| CCP | CBP | CAP | 107.4° | 109.4° |
| CBP | CCP | O6A | 116.8° | 109.5° |
| CBP | CCP | H12 | 107.6° | 109.5° |
| CBP | CCP | H13 | 107.6° | 109.5° |
| CBP | CAP | OAP | 105.7° | 109.4° |
| CBP | CAP | C9P | 116.9° | 109.5° |
| CBP | CAP | H20 | 108.1° | 109.5° |
| CCP | O6A | P2A | 116.2° | 123.0° |
| O6A | CCP | H12 | 107.6° | 109.4° |
| O6A | CCP | H13 | 107.6° | 109.5° |
| C6P | C7P | N8P | 125.3° | 109.5° |
| C6P | C7P | H23 | 105.4° | 109.4° |
| C6P | C7P | H24 | 105.4° | 109.4° |
| C7P | C6P | H25 | 105.3° | 109.4° |
| C7P | C6P | H26 | 105.3° | 109.4° |
| O3A | P1A | O2A | 109.4° | 109.5° |
| O3A | P1A | O1A | 108.8° | 109.5° |
| P1A | O3A | P2A | 119.8° | 134.0° |
| O2A | P1A | O1A | 109.7° | 109.5° |
| P1A | O1A | H10 | 109.5° | 114.1° |
| O3A | P2A | O6A | 105.6° | 109.5° |
| O3A | P2A | O4A | 111.5° | 109.4° |
| O3A | P2A | O5A | 110.3° | 109.5° |
| O9P | C9P | CAP | 119.0° | 120.0° |
| O9P | C9P | N8P | 118.5° | 120.0° |
| OAP | CAP | C9P | 107.2° | 109.5° |
| OAP | CAP | H20 | 109.9° | 109.5° |
| CAP | OAP | H21 | 109.5° | 114.1° |
| CAP | C9P | N8P | 122.6° | 120.0° |
| C9P | CAP | H20 | 108.8° | 109.5° |
| C9P | N8P | C7P | 108.6° | 120.0° |
| C9P | N8P | H22 | 125.7° | 120.0° |
| O6A | P2A | O4A | 110.2° | 109.5° |
| O6A | P2A | O5A | 110.0° | 109.5° |
| C7P | N8P | H22 | 125.7° | 120.0° |
| N8P | C7P | H23 | 105.4° | 109.5° |
| N8P | C7P | H24 | 105.4° | 109.5° |
| O4A | P2A | O5A | 109.1° | 109.5° |
| P2A | O5A | H11 | 109.5° | 114.0° |
| C2 | O1 | H33 | 109.5° | 114.1° |
| O1 | C2 | H34 | 105.0° | 109.5° |
| H2 | N6A | H3 | 109.4° | 120.1° |
| H8 | C5B | H9 | 109.5° | 109.5° |
| H12 | CCP | H13 | 109.5° | 109.5° |
| H14 | CDP | H15 | 109.5° | 109.5° |
| H14 | CDP | H16 | 109.5° | 109.5° |
| H15 | CDP | H16 | 109.5° | 109.5° |
| H17 | CEP | H18 | 109.4° | 109.5° |
| H17 | CEP | H19 | 109.4° | 109.4° |
| H18 | CEP | H19 | 109.5° | 109.5° |
| H23 | C7P | H24 | 109.5° | 109.4° |
| H25 | C6P | H26 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S1P | H30 | 121.3° | 120.0° |
| C2 | C1 | S1P | H31 | 121.3° | 120.0° |
| C1 | C2 | O21 | O1 | 135.9° | 120.0° |
| C1 | C2 | O21 | H34 | 114.3° | 120.0° |
| C2 | C1 | S1P | C2P | 55.3° | 180.0° |
| C1 | C2 | O1 | H34 | 118.4° | 120.0° |
| C2 | C1 | H30 | H31 | 115.9° | 120.0° |
| C1 | C2 | O21 | H32 | 180.0° | 60.0° |
| C1 | C2 | O1 | H33 | 180.0° | 179.9° |
| S1P | C1 | C2 | O21 | 75.8° | 60.0° |
| C1 | S1P | C2P | C3P | 101.8° | 180.0° |
| S1P | C1 | C2 | O1 | 50.0° | 60.0° |
| C1 | S1P | C2P | H29 | 78.2° | 0.0° |
| S1P | C1 | H30 | H31 | 115.9° | 120.0° |
| S1P | C1 | C2 | H34 | 168.8° | 180.0° |
| O21 | C2 | O1 | H34 | 110.4° | 120.0° |
| O21 | C2 | C1 | H30 | 45.5° | 180.0° |
| O21 | C2 | C1 | H31 | 163.0° | 60.0° |
| O21 | C2 | O1 | H33 | 48.8° | 60.0° |
| S1P | C2P | C3P | H29 | 180.0° | 180.0° |
| S1P | C2P | C3P | N4P | 168.3° | 180.0° |
| S1P | C2P | C3P | H28 | 11.7° | 0.0° |
| C2P | S1P | C1 | H30 | 66.0° | 60.0° |
| C2P | S1P | C1 | H31 | 176.6° | 60.0° |
| C2P | C3P | N4P | H28 | 180.0° | 180.0° |
| C2P | C3P | N4P | C5P | 89.1° | 180.0° |
| C2P | C3P | N4P | H27 | 90.9° | 0.1° |
| C3P | N4P | C5P | O5P | 0.1° | 0.1° |
| C3P | N4P | C5P | H27 | 180.0° | 179.9° |
| C3P | N4P | C5P | C6P | 179.7° | 180.0° |
| N4P | C3P | C2P | H29 | 11.7° | 0.0° |
| O9A | P3B | O7A | O8A | 121.4° | 120.0° |
| O9A | P3B | O7A | O3B | 117.8° | 120.0° |
| O9A | P3B | O8A | O3B | 120.1° | 120.0° |
| O9A | P3B | O3B | C3B | 95.3° | 55.0° |
| O9A | P3B | O7A | H6 | 0.0° | 179.9° |
| O9A | P3B | O8A | H7 | 0.0° | 60.0° |
| O7A | P3B | O8A | O3B | 119.7° | 120.0° |
| O7A | P3B | O3B | C3B | 22.3° | 65.0° |
| O7A | P3B | O8A | H7 | 120.2° | 60.0° |
| N7A | C8A | N9A | H4 | 180.0° | 180.0° |
| N7A | C8A | N9A | C1B | 179.6° | 179.9° |
| N7A | C8A | N9A | C4A | 0.4° | 0.0° |
| C8A | N7A | C5A | C6A | 180.0° | 179.9° |
| C8A | N7A | C5A | C4A | 0.1° | 0.0° |
| N9A | C8A | N7A | C5A | 0.2° | 0.0° |
| C8A | N9A | C1B | O4B | 9.7° | 179.7° |
| C8A | N9A | C1B | C4A | 179.0° | 179.9° |
| C8A | N9A | C4A | C5A | 0.5° | 0.0° |
| C8A | N9A | C1B | C2B | 170.5° | 0.1° |
| C8A | N9A | C4A | N3A | 180.0° | 179.9° |
| N7A | C5A | C4A | N9A | 0.4° | 0.0° |
| N7A | C5A | C6A | N6A | 0.1° | 0.1° |
| N7A | C5A | C6A | C4A | 179.9° | 179.9° |
| N7A | C5A | C6A | N1A | 179.9° | 180.0° |
| N7A | C5A | C4A | N3A | 180.0° | 179.9° |
| C5A | N7A | C8A | H4 | 179.8° | 180.0° |
| O5P | C5P | N4P | C6P | 179.5° | 179.9° |
| O5P | C5P | C6P | C7P | 130.2° | 0.1° |
| O5P | C5P | C6P | H25 | 8.1° | 119.9° |
| O5P | C5P | C6P | H26 | 107.6° | 120.0° |
| O5P | C5P | N4P | H27 | 179.9° | 180.0° |
| C4B | C5B | O5B | H8 | 121.1° | 120.0° |
| C4B | C5B | O5B | H9 | 121.1° | 120.0° |
| C5B | C4B | O4B | C3B | 179.4° | 179.8° |
| C5B | C4B | O4B | C1B | 179.6° | 179.8° |
| C4B | C5B | O5B | P1A | 51.0° | 180.0° |
| C5B | C4B | C3B | C2B | 179.9° | 179.9° |
| C5B | C4B | C3B | O3B | 1.5° | 0.0° |
| C4B | C5B | H8 | H9 | 116.5° | 120.0° |
| O5B | C5B | C4B | O4B | 52.8° | 89.7° |
| O5B | C5B | C4B | C3B | 126.6° | 90.0° |
| C5B | O5B | P1A | O3A | 112.4° | 175.0° |
| C5B | O5B | P1A | O2A | 128.8° | 55.0° |
| C5B | O5B | P1A | O1A | 8.3° | 65.0° |
| O5B | C5B | H8 | H9 | 116.5° | 120.0° |
| C4B | O4B | C1B | N9A | 179.7° | 179.8° |
| C4B | O4B | C1B | C2B | 0.1° | 0.4° |
| O4B | C4B | C3B | C2B | 0.4° | 0.3° |
| O4B | C4B | C3B | O3B | 179.1° | 179.8° |
| O4B | C4B | C5B | H8 | 68.4° | 30.2° |
| O4B | C4B | C5B | H9 | 173.8° | 150.3° |
| O4B | C1B | N9A | C2B | 179.8° | 179.8° |
| O4B | C1B | N9A | C4A | 169.3° | 0.2° |
| C1B | O4B | C4B | C3B | 0.2° | 0.4° |
| O4B | C1B | C2B | C3B | 0.4° | 0.2° |
| O4B | C1B | C2B | O2B | 179.9° | 179.7° |
| N4P | C5P | C6P | C7P | 50.3° | 180.0° |
| N4P | C5P | C6P | H25 | 172.4° | 60.0° |
| N4P | C5P | C6P | H26 | 71.9° | 60.1° |
| C5P | N4P | C3P | H28 | 90.9° | 0.1° |
| C1B | N9A | C4A | C5A | 179.6° | 179.9° |
| C1B | N9A | C4A | N3A | 0.8° | 0.1° |
| N9A | C1B | C2B | C3B | 179.4° | 180.0° |
| N9A | C1B | C2B | O2B | 0.3° | 0.1° |
| C1B | N9A | C8A | H4 | 0.4° | 0.1° |
| N9A | C4A | C5A | C6A | 179.7° | 179.9° |
| N9A | C4A | C5A | N3A | 179.6° | 179.9° |
| C4A | N9A | C1B | C2B | 10.5° | 180.0° |
| N9A | C4A | N3A | C2A | 179.5° | 180.0° |
| C4A | N9A | C8A | H4 | 179.5° | 180.0° |
| C4B | C3B | O3B | P3B | 110.2° | 90.1° |
| C4B | C3B | C2B | C1B | 0.5° | 0.1° |
| C4B | C3B | C2B | O3B | 178.6° | 180.0° |
| C4B | C3B | C2B | O2B | 179.8° | 179.9° |
| C3B | C4B | C5B | H8 | 112.3° | 150.0° |
| C3B | C4B | C5B | H9 | 5.5° | 30.0° |
| O8A | P3B | O3B | C3B | 143.5° | 175.0° |
| O8A | P3B | O7A | H6 | 121.4° | 60.0° |
| P3B | O3B | C3B | C2B | 68.1° | 90.0° |
| O3B | P3B | O7A | H6 | 117.8° | 59.9° |
| O3B | P3B | O8A | H7 | 120.1° | 180.0° |
| N6A | C6A | C5A | N1A | 180.0° | 180.0° |
| N6A | C6A | C5A | C4A | 180.0° | 180.0° |
| N6A | C6A | N1A | C2A | 179.9° | 180.0° |
| C6A | N6A | H2 | H3 | 120.0° | 179.9° |
| C6A | C5A | C4A | N3A | 0.1° | 0.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.1° |
| C5A | C6A | N6A | H2 | 180.0° | 0.0° |
| C5A | C6A | N6A | H3 | 60.0° | 179.9° |
| C4A | C5A | C6A | N1A | 0.1° | 0.0° |
| C5A | C4A | N3A | C2A | 0.0° | 0.0° |
| C1B | C2B | C3B | O2B | 179.7° | 179.9° |
| C1B | C2B | C3B | O3B | 179.1° | 180.0° |
| C1B | C2B | O2B | H5 | 180.0° | 89.9° |
| CDP | CBP | CEP | CCP | 122.5° | 120.0° |
| CDP | CBP | CEP | CAP | 121.3° | 120.0° |
| CDP | CBP | CCP | CAP | 122.7° | 120.0° |
| CDP | CBP | CCP | O6A | 155.2° | 60.0° |
| CDP | CBP | CAP | OAP | 52.9° | 174.4° |
| CDP | CBP | CAP | C9P | 66.3° | 65.6° |
| CDP | CBP | CCP | H12 | 83.8° | 180.0° |
| CDP | CBP | CCP | H13 | 34.1° | 60.0° |
| CBP | CDP | H14 | H15 | 120.0° | 120.0° |
| CBP | CDP | H14 | H16 | 120.0° | 120.0° |
| CBP | CDP | H15 | H16 | 119.9° | 120.0° |
| CDP | CBP | CEP | H17 | 180.0° | 175.4° |
| CDP | CBP | CEP | H18 | 60.0° | 55.4° |
| CDP | CBP | CEP | H19 | 60.0° | 64.7° |
| CDP | CBP | CAP | H20 | 170.5° | 54.4° |
| O5B | P1A | O3A | O2A | 117.8° | 120.0° |
| O5B | P1A | O3A | O1A | 122.5° | 120.0° |
| O5B | P1A | O2A | O1A | 121.9° | 120.0° |
| O5B | P1A | O3A | P2A | 168.9° | 164.9° |
| P1A | O5B | C5B | H8 | 172.2° | 60.0° |
| P1A | O5B | C5B | H9 | 70.0° | 60.0° |
| O5B | P1A | O1A | H10 | 119.4° | 60.0° |
| C5P | C6P | C7P | H25 | 122.2° | 120.0° |
| C5P | C6P | C7P | H26 | 122.2° | 120.0° |
| C5P | C6P | C7P | N8P | 15.2° | 180.0° |
| C5P | C6P | C7P | H23 | 137.3° | 59.9° |
| C5P | C6P | C7P | H24 | 107.0° | 60.0° |
| C5P | C6P | H25 | H26 | 112.7° | 120.1° |
| C6P | C5P | N4P | H27 | 0.3° | 0.1° |
| C6A | N1A | C2A | N3A | 0.2° | 0.0° |
| C6A | N1A | C2A | H1 | 179.8° | 180.0° |
| N1A | C6A | N6A | H2 | 0.0° | 180.0° |
| N1A | C6A | N6A | H3 | 120.0° | 0.0° |
| C4A | N3A | C2A | N1A | 0.1° | 0.0° |
| C4A | N3A | C2A | H1 | 179.9° | 179.9° |
| C3B | C2B | O2B | H5 | 0.4° | 90.0° |
| O3B | C3B | C2B | O2B | 1.2° | 0.1° |
| N1A | C2A | N3A | H1 | 180.0° | 180.0° |
| CEP | CBP | CCP | CAP | 116.2° | 120.0° |
| CEP | CBP | CCP | O6A | 83.7° | 60.0° |
| CEP | CBP | CAP | OAP | 172.7° | 54.4° |
| CEP | CBP | CAP | C9P | 53.5° | 174.4° |
| CEP | CBP | CCP | H12 | 37.4° | 60.0° |
| CEP | CBP | CCP | H13 | 155.2° | 180.0° |
| CEP | CBP | CDP | H14 | 180.0° | 53.7° |
| CEP | CBP | CDP | H15 | 60.0° | 66.4° |
| CEP | CBP | CDP | H16 | 60.0° | 173.7° |
| CBP | CEP | H17 | H18 | 120.0° | 120.0° |
| CBP | CEP | H17 | H19 | 120.0° | 120.0° |
| CBP | CEP | H18 | H19 | 120.0° | 120.0° |
| CEP | CBP | CAP | H20 | 69.6° | 65.6° |
| CBP | CCP | O6A | H12 | 121.1° | 120.0° |
| CBP | CCP | O6A | H13 | 121.0° | 120.1° |
| CCP | CBP | CAP | OAP | 69.8° | 65.6° |
| CCP | CBP | CAP | C9P | 171.0° | 54.4° |
| CBP | CCP | O6A | P2A | 158.0° | 180.0° |
| CBP | CCP | H12 | H13 | 116.6° | 120.1° |
| CCP | CBP | CDP | H14 | 58.9° | 66.4° |
| CCP | CBP | CDP | H15 | 61.1° | 173.6° |
| CCP | CBP | CDP | H16 | 178.9° | 53.6° |
| CCP | CBP | CEP | H17 | 57.5° | 64.6° |
| CCP | CBP | CEP | H18 | 177.5° | 175.4° |
| CCP | CBP | CEP | H19 | 62.5° | 55.4° |
| CCP | CBP | CAP | H20 | 47.9° | 174.4° |
| CAP | CBP | CCP | O6A | 32.5° | 180.0° |
| CBP | CAP | C9P | O9P | 98.2° | 111.5° |
| CBP | CAP | OAP | C9P | 125.4° | 120.0° |
| CBP | CAP | OAP | H20 | 116.4° | 120.0° |
| CBP | CAP | C9P | H20 | 122.8° | 120.0° |
| CBP | CAP | C9P | N8P | 82.4° | 68.5° |
| CAP | CBP | CCP | H12 | 153.5° | 60.1° |
| CAP | CBP | CCP | H13 | 88.6° | 60.0° |
| CAP | CBP | CDP | H14 | 61.4° | 173.7° |
| CAP | CBP | CDP | H15 | 178.6° | 53.6° |
| CAP | CBP | CDP | H16 | 58.7° | 66.3° |
| CAP | CBP | CEP | H17 | 58.7° | 55.4° |
| CAP | CBP | CEP | H18 | 61.3° | 64.6° |
| CAP | CBP | CEP | H19 | 178.7° | 175.4° |
| CBP | CAP | OAP | H21 | 116.1° | 60.0° |
| CCP | O6A | P2A | O3A | 16.2° | 174.9° |
| CCP | O6A | P2A | O4A | 104.4° | 55.0° |
| CCP | O6A | P2A | O5A | 135.2° | 65.0° |
| O6A | CCP | H12 | H13 | 116.7° | 120.0° |
| C6P | C7P | N8P | C9P | 59.7° | 180.0° |
| C6P | C7P | N8P | H23 | 122.1° | 120.0° |
| C6P | C7P | N8P | H24 | 122.1° | 120.0° |
| C6P | C7P | N8P | H22 | 120.3° | 0.0° |
| C6P | C7P | H23 | H24 | 112.9° | 119.9° |
| C7P | C6P | H25 | H26 | 112.7° | 119.9° |
| O3A | P1A | O2A | O1A | 119.2° | 120.0° |
| P1A | O3A | P2A | O6A | 146.9° | 165.0° |
| P1A | O3A | P2A | O4A | 93.4° | 45.0° |
| P1A | O3A | P2A | O5A | 28.0° | 74.9° |
| O3A | P1A | O1A | H10 | 119.6° | 60.0° |
| O2A | P1A | O3A | P2A | 51.2° | 44.9° |
| O2A | P1A | O1A | H10 | 0.0° | 180.0° |
| O1A | P1A | O3A | P2A | 68.6° | 75.1° |
| O3A | P2A | O6A | O4A | 120.6° | 120.0° |
| O3A | P2A | O6A | O5A | 119.0° | 120.0° |
| O3A | P2A | O4A | O5A | 122.1° | 120.0° |
| O3A | P2A | O5A | H11 | 122.9° | 60.1° |
| O9P | C9P | CAP | OAP | 20.1° | 8.5° |
| O9P | C9P | CAP | N8P | 179.4° | 180.0° |
| O9P | C9P | N8P | C7P | 1.2° | 4.4° |
| O9P | C9P | CAP | H20 | 139.0° | 128.5° |
| O9P | C9P | N8P | H22 | 178.8° | 175.6° |
| OAP | CAP | C9P | H20 | 118.8° | 120.0° |
| OAP | CAP | C9P | N8P | 159.2° | 171.5° |
| CAP | C9P | N8P | C7P | 179.4° | 175.6° |
| C9P | CAP | OAP | H21 | 9.3° | 60.0° |
| CAP | C9P | N8P | H22 | 0.6° | 4.5° |
| C9P | N8P | C7P | H22 | 180.0° | 180.0° |
| N8P | C9P | CAP | H20 | 40.4° | 51.5° |
| C9P | N8P | C7P | H23 | 62.5° | 60.0° |
| C9P | N8P | C7P | H24 | 178.2° | 60.1° |
| O6A | P2A | O4A | O5A | 120.9° | 120.0° |
| O6A | P2A | O5A | H11 | 121.0° | 60.0° |
| P2A | O6A | CCP | H12 | 80.9° | 60.0° |
| P2A | O6A | CCP | H13 | 37.0° | 60.0° |
| N8P | C7P | H23 | H24 | 112.9° | 120.1° |
| N8P | C7P | C6P | H25 | 107.0° | 60.0° |
| N8P | C7P | C6P | H26 | 137.4° | 60.0° |
| O4A | P2A | O5A | H11 | 0.0° | 180.0° |
| O1 | C2 | C1 | H30 | 171.3° | 60.0° |
| O1 | C2 | C1 | H31 | 71.3° | 180.0° |
| O1 | C2 | O21 | H32 | 44.0° | 60.1° |
| H14 | CDP | H15 | H16 | 120.0° | 120.1° |
| H17 | CEP | H18 | H19 | 119.9° | 120.0° |
| H20 | CAP | OAP | H21 | 127.4° | 180.0° |
| H22 | N8P | C7P | H23 | 117.6° | 120.0° |
| H22 | N8P | C7P | H24 | 1.8° | 120.0° |
| H23 | C7P | C6P | H25 | 15.1° | 180.0° |
| H23 | C7P | C6P | H26 | 100.5° | 60.1° |
| H24 | C7P | C6P | H25 | 130.9° | 60.0° |
| H24 | C7P | C6P | H26 | 15.2° | 180.0° |
| H27 | N4P | C3P | H28 | 89.1° | 180.0° |
| H28 | C3P | C2P | H29 | 168.3° | 180.0° |
| H30 | C1 | C2 | H34 | 69.9° | 60.0° |
| H31 | C1 | C2 | H34 | 47.6° | 60.0° |
| H32 | O21 | C2 | H34 | 65.7° | 179.9° |
| H33 | O1 | C2 | H34 | 61.6° | 60.0° |
