ST9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | O2 | doub | 1.21Å | 1.40Å | |
| C1 | S1P | sing | 1.71Å | 1.85Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C6A | N1A | doub | 1.33Å | 1.31Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.38Å | Aromatic |
| O1A | P1A | doub | 1.48Å | 1.66Å | |
| O3A | P1A | sing | 1.61Å | 1.64Å | |
| P1A | O2A | sing | 1.61Å | 1.46Å | |
| P1A | O5B | sing | 1.61Å | 1.65Å | |
| N9A | C1B | sing | 1.46Å | 1.46Å | |
| C2B | C1B | sing | 1.55Å | 1.48Å | |
| O4B | C1B | sing | 1.44Å | 1.38Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| S1P | C2P | sing | 1.81Å | 1.84Å | |
| C2A | N3A | doub | 1.32Å | 1.43Å | Aromatic |
| C2A | H2AA | sing | 1.08Å | 1.08Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O5A | P2A | doub | 1.48Å | 1.46Å | |
| P2A | O4A | sing | 1.61Å | 1.66Å | |
| P2A | O6A | sing | 1.61Å | 1.68Å | |
| P2A | O3A | sing | 1.61Å | 1.65Å | |
| C2B | O2B | sing | 1.43Å | 1.39Å | |
| C2B | C3B | sing | 1.55Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C2P | C3P | sing | 1.53Å | 1.55Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| C4A | N3A | sing | 1.33Å | 1.35Å | Aromatic |
| C4B | C3B | sing | 1.54Å | 1.59Å | |
| C3B | O3B | sing | 1.43Å | 1.39Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | P3B | sing | 1.61Å | 1.64Å | |
| O9A | P3B | doub | 1.48Å | 1.64Å | |
| O7A | P3B | sing | 1.61Å | 1.47Å | |
| P3B | O8A | sing | 1.61Å | 1.63Å | |
| C3P | N4P | sing | 1.46Å | 1.49Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| C5A | C4A | doub | 1.40Å | 1.33Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.44Å | Aromatic |
| O4A | HO4A | sing | 0.97Å | 0.95Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| O4B | C4B | sing | 1.44Å | 1.47Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C5P | N4P | sing | 1.35Å | 1.45Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| N7A | C5A | sing | 1.35Å | 1.40Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.46Å | Aromatic |
| O5B | C5B | sing | 1.43Å | 1.41Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| O5P | C5P | doub | 1.21Å | 1.18Å | |
| C5P | C6P | sing | 1.51Å | 1.52Å | |
| N6A | C6A | sing | 1.38Å | 1.45Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| O6A | CCP | sing | 1.43Å | 1.42Å | |
| C7P | C6P | sing | 1.53Å | 1.53Å | |
| C6P | H6P | sing | 1.09Å | 1.10Å | |
| C6P | H6PA | sing | 1.09Å | 1.10Å | |
| N7A | C8A | doub | 1.30Å | 1.40Å | Aromatic |
| O7A | HO7A | sing | 0.97Å | 0.95Å | |
| C7P | N8P | sing | 1.47Å | 1.45Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| C8A | N9A | sing | 1.36Å | 1.33Å | Aromatic |
| C8A | H8AA | sing | 1.08Å | 1.08Å | |
| O8A | HO8A | sing | 0.97Å | 0.95Å | |
| N8P | C9P | sing | 1.35Å | 1.45Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| CAP | C9P | sing | 1.51Å | 1.52Å | |
| C9P | O9P | doub | 1.21Å | 1.18Å | |
| OAP | CAP | sing | 1.43Å | 1.39Å | |
| CAP | CBP | sing | 1.53Å | 1.52Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| CDP | CBP | sing | 1.53Å | 1.52Å | |
| CBP | CCP | sing | 1.53Å | 1.53Å | |
| CBP | CEP | sing | 1.53Å | 1.52Å | |
| CCP | HCP | sing | 1.09Å | 1.10Å | |
| CCP | HCPA | sing | 1.09Å | 1.10Å | |
| CDP | HDP | sing | 1.09Å | 1.10Å | |
| CDP | HDPA | sing | 1.09Å | 1.10Å | |
| CDP | HDPB | sing | 1.09Å | 1.10Å | |
| CEP | HEP | sing | 1.09Å | 1.10Å | |
| CEP | HEPA | sing | 1.09Å | 1.10Å | |
| CEP | HEPB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O2 | 113.7° | 120.0° |
| C2 | C1 | S1P | 116.3° | 120.0° |
| C1 | C2 | C3 | 118.4° | 109.4° |
| C1 | C2 | H2 | 107.2° | 109.5° |
| C1 | C2 | H2A | 107.2° | 109.5° |
| O2 | C1 | S1P | 113.3° | 120.0° |
| C1 | S1P | C2P | 106.8° | 100.0° |
| C3 | C2 | H2 | 107.2° | 109.5° |
| C3 | C2 | H2A | 107.2° | 109.5° |
| C2 | C3 | C4 | 118.5° | 109.5° |
| C2 | C3 | H3 | 107.2° | 109.5° |
| C2 | C3 | H3A | 107.1° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| C4 | C3 | H3 | 107.1° | 109.5° |
| C4 | C3 | H3A | 107.2° | 109.4° |
| C3 | C4 | C5 | 116.9° | 109.5° |
| C3 | C4 | H4 | 107.6° | 109.5° |
| C3 | C4 | H4A | 107.6° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C5 | C4 | H4A | 107.6° | 109.5° |
| C4 | C5 | C6 | 119.6° | 109.5° |
| C4 | C5 | H5 | 106.9° | 109.5° |
| C4 | C5 | H5A | 106.9° | 109.5° |
| H4 | C4 | H4A | 109.4° | 109.4° |
| C6 | C5 | H5 | 106.9° | 109.5° |
| C6 | C5 | H5A | 106.9° | 109.5° |
| C5 | C6 | C7 | 118.2° | 109.5° |
| C5 | C6 | H6 | 107.3° | 109.5° |
| C5 | C6 | H6A | 107.2° | 109.4° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| C7 | C6 | H6 | 107.2° | 109.5° |
| C7 | C6 | H6A | 107.3° | 109.5° |
| C6 | C7 | C8 | 117.5° | 109.4° |
| C6 | C7 | H7 | 107.4° | 109.5° |
| C6 | C7 | H7A | 107.4° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| C8 | C7 | H7 | 107.5° | 109.5° |
| C8 | C7 | H7A | 107.4° | 109.4° |
| C7 | C8 | C9 | 116.7° | 109.5° |
| C7 | C8 | H8 | 107.6° | 109.5° |
| C7 | C8 | H8A | 107.6° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C9 | C8 | H8A | 107.6° | 109.5° |
| C8 | C9 | C10 | 118.2° | 109.5° |
| C8 | C9 | H9 | 107.3° | 109.5° |
| C8 | C9 | H9A | 107.3° | 109.4° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| C10 | C9 | H9 | 107.2° | 109.5° |
| C10 | C9 | H9A | 107.2° | 109.5° |
| C9 | C10 | C11 | 117.2° | 109.5° |
| C9 | C10 | H10 | 107.5° | 109.5° |
| C9 | C10 | H10A | 107.5° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| C11 | C10 | H10 | 107.5° | 109.5° |
| C11 | C10 | H10A | 107.5° | 109.5° |
| C10 | C11 | C12 | 118.6° | 109.5° |
| C10 | C11 | H11 | 107.1° | 109.4° |
| C10 | C11 | H11A | 107.2° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| C12 | C11 | H11 | 107.1° | 109.5° |
| C12 | C11 | H11A | 107.1° | 109.5° |
| C11 | C12 | C13 | 119.3° | 109.5° |
| C11 | C12 | H12 | 107.0° | 109.5° |
| C11 | C12 | H12A | 107.0° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| C13 | C12 | H12 | 107.0° | 109.5° |
| C13 | C12 | H12A | 107.0° | 109.4° |
| C12 | C13 | C14 | 119.4° | 109.5° |
| C12 | C13 | H13 | 106.9° | 109.5° |
| C12 | C13 | H13A | 106.9° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| C14 | C13 | H13 | 106.9° | 109.5° |
| C14 | C13 | H13A | 107.0° | 109.5° |
| C13 | C14 | C15 | 118.1° | 109.5° |
| C13 | C14 | H14 | 107.3° | 109.5° |
| C13 | C14 | H14A | 107.3° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| C15 | C14 | H14 | 107.3° | 109.5° |
| C15 | C14 | H14A | 107.3° | 109.5° |
| C14 | C15 | C16 | 118.4° | 109.5° |
| C14 | C15 | H15 | 107.2° | 109.4° |
| C14 | C15 | H15A | 107.2° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| C16 | C15 | H15 | 107.2° | 109.5° |
| C16 | C15 | H15A | 107.2° | 109.5° |
| C15 | C16 | C17 | 116.3° | 109.5° |
| C15 | C16 | H16 | 107.8° | 109.5° |
| C15 | C16 | H16A | 107.7° | 109.4° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| C17 | C16 | H16 | 107.7° | 109.5° |
| C17 | C16 | H16A | 107.8° | 109.5° |
| C16 | C17 | C18 | 114.9° | 109.5° |
| C16 | C17 | H17 | 108.1° | 109.5° |
| C16 | C17 | H17A | 108.1° | 109.4° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| C18 | C17 | H17 | 108.1° | 109.5° |
| C18 | C17 | H17A | 108.1° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| C6A | N1A | C2A | 118.2° | 121.2° |
| N1A | C6A | C5A | 120.9° | 118.5° |
| N1A | C6A | N6A | 120.4° | 120.8° |
| N1A | C2A | N3A | 121.3° | 122.5° |
| N1A | C2A | H2AA | 119.4° | 118.7° |
| O1A | P1A | O3A | 114.9° | 109.5° |
| O1A | P1A | O2A | 111.7° | 109.5° |
| O1A | P1A | O5B | 106.3° | 109.5° |
| O3A | P1A | O2A | 106.3° | 109.5° |
| O3A | P1A | O5B | 106.7° | 109.5° |
| P1A | O3A | P2A | 114.9° | 134.0° |
| O2A | P1A | O5B | 110.9° | 109.5° |
| P1A | O2A | HO2A | 109.5° | 114.0° |
| P1A | O5B | C5B | 122.1° | 123.0° |
| N9A | C1B | C2B | 107.8° | 110.6° |
| N9A | C1B | O4B | 108.0° | 110.8° |
| N9A | C1B | H1B | 111.1° | 110.5° |
| C1B | N9A | C4A | 125.4° | 126.3° |
| C1B | N9A | C8A | 125.7° | 126.3° |
| C2B | C1B | O4B | 106.6° | 103.5° |
| C2B | C1B | H1B | 110.7° | 110.6° |
| C1B | C2B | O2B | 114.8° | 110.9° |
| C1B | C2B | C3B | 101.2° | 102.1° |
| C1B | C2B | H2B | 108.6° | 110.9° |
| O4B | C1B | H1B | 112.4° | 110.7° |
| C1B | O4B | C4B | 109.3° | 107.0° |
| S1P | C2P | C3P | 120.5° | 109.4° |
| S1P | C2P | H2P | 106.6° | 109.5° |
| S1P | C2P | H2PA | 106.6° | 109.5° |
| N3A | C2A | H2AA | 119.3° | 118.8° |
| C2A | N3A | C4A | 119.6° | 120.6° |
| O5A | P2A | O4A | 108.4° | 109.5° |
| O5A | P2A | O6A | 112.4° | 109.5° |
| O5A | P2A | O3A | 110.6° | 109.5° |
| O4A | P2A | O6A | 115.2° | 109.5° |
| O4A | P2A | O3A | 108.8° | 109.5° |
| P2A | O4A | HO4A | 109.5° | 114.0° |
| O6A | P2A | O3A | 101.2° | 109.5° |
| P2A | O6A | CCP | 120.9° | 123.0° |
| O2B | C2B | C3B | 113.7° | 110.9° |
| O2B | C2B | H2B | 109.9° | 110.8° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C3B | C2B | H2B | 108.2° | 110.9° |
| C2B | C3B | C4B | 101.9° | 104.2° |
| C2B | C3B | O3B | 112.9° | 110.5° |
| C2B | C3B | H3B | 109.9° | 110.5° |
| C3P | C2P | H2P | 106.6° | 109.5° |
| C3P | C2P | H2PA | 106.6° | 109.5° |
| C2P | C3P | N4P | 119.4° | 109.5° |
| C2P | C3P | H3P | 106.9° | 109.5° |
| C2P | C3P | H3PA | 106.9° | 109.5° |
| H2P | C2P | H2PA | 109.5° | 109.5° |
| N3A | C4A | C5A | 119.5° | 119.1° |
| N3A | C4A | N9A | 133.3° | 134.9° |
| C4B | C3B | O3B | 111.0° | 110.5° |
| C4B | C3B | H3B | 108.9° | 110.6° |
| C3B | C4B | C5B | 113.6° | 109.9° |
| C3B | C4B | O4B | 103.6° | 107.3° |
| C3B | C4B | H4B | 107.7° | 109.9° |
| O3B | C3B | H3B | 111.7° | 110.4° |
| C3B | O3B | P3B | 116.8° | 123.0° |
| O3B | P3B | O9A | 99.9° | 109.4° |
| O3B | P3B | O7A | 113.3° | 109.5° |
| O3B | P3B | O8A | 109.0° | 109.4° |
| O9A | P3B | O7A | 111.7° | 109.5° |
| O9A | P3B | O8A | 114.2° | 109.5° |
| O7A | P3B | O8A | 108.6° | 109.5° |
| P3B | O7A | HO7A | 109.5° | 114.0° |
| P3B | O8A | HO8A | 109.5° | 114.0° |
| N4P | C3P | H3P | 107.0° | 109.4° |
| N4P | C3P | H3PA | 106.9° | 109.5° |
| C3P | N4P | C5P | 111.5° | 120.0° |
| C3P | N4P | HN4P | 124.3° | 120.0° |
| H3P | C3P | H3PA | 109.4° | 109.5° |
| C5A | C4A | N9A | 107.3° | 106.0° |
| C4A | C5A | N7A | 108.2° | 107.1° |
| C4A | C5A | C6A | 120.6° | 118.2° |
| C4A | N9A | C8A | 108.9° | 107.4° |
| C5B | C4B | O4B | 114.1° | 110.0° |
| C5B | C4B | H4B | 108.4° | 109.9° |
| C4B | C5B | O5B | 109.6° | 109.4° |
| C4B | C5B | H5B | 109.4° | 109.5° |
| C4B | C5B | H5BA | 109.5° | 109.5° |
| O4B | C4B | H4B | 109.2° | 109.9° |
| C5P | N4P | HN4P | 124.2° | 120.0° |
| N4P | C5P | O5P | 116.1° | 120.0° |
| N4P | C5P | C6P | 125.3° | 120.0° |
| N7A | C5A | C6A | 131.3° | 134.7° |
| C5A | N7A | C8A | 108.5° | 109.4° |
| C5A | C6A | N6A | 118.7° | 120.8° |
| O5B | C5B | H5B | 109.5° | 109.5° |
| O5B | C5B | H5BA | 109.4° | 109.5° |
| H5B | C5B | H5BA | 109.5° | 109.4° |
| O5P | C5P | C6P | 115.2° | 120.0° |
| C5P | C6P | C7P | 101.6° | 109.4° |
| C5P | C6P | H6P | 111.4° | 109.5° |
| C5P | C6P | H6PA | 111.4° | 109.4° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| O6A | CCP | CBP | 115.8° | 109.5° |
| O6A | CCP | HCP | 107.9° | 109.5° |
| O6A | CCP | HCPA | 107.9° | 109.5° |
| C7P | C6P | H6P | 111.4° | 109.5° |
| C7P | C6P | H6PA | 111.4° | 109.5° |
| C6P | C7P | N8P | 121.2° | 109.4° |
| C6P | C7P | H7P | 106.5° | 109.5° |
| C6P | C7P | H7PA | 106.5° | 109.5° |
| H6P | C6P | H6PA | 109.5° | 109.5° |
| N7A | C8A | N9A | 107.1° | 110.0° |
| N7A | C8A | H8AA | 126.5° | 125.0° |
| N8P | C7P | H7P | 106.4° | 109.4° |
| N8P | C7P | H7PA | 106.4° | 109.5° |
| C7P | N8P | C9P | 120.7° | 120.0° |
| C7P | N8P | HN8P | 119.7° | 120.1° |
| H7P | C7P | H7PA | 109.5° | 109.5° |
| N9A | C8A | H8AA | 126.4° | 125.0° |
| C9P | N8P | HN8P | 119.6° | 120.0° |
| N8P | C9P | CAP | 113.0° | 120.0° |
| N8P | C9P | O9P | 121.4° | 120.0° |
| CAP | C9P | O9P | 123.0° | 120.0° |
| C9P | CAP | OAP | 107.7° | 109.5° |
| C9P | CAP | CBP | 112.8° | 109.4° |
| C9P | CAP | HAP | 107.7° | 109.5° |
| OAP | CAP | CBP | 111.5° | 109.5° |
| OAP | CAP | HAP | 109.4° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| CBP | CAP | HAP | 107.7° | 109.4° |
| CAP | CBP | CDP | 107.3° | 109.5° |
| CAP | CBP | CCP | 106.6° | 109.5° |
| CAP | CBP | CEP | 111.0° | 109.5° |
| CDP | CBP | CCP | 112.2° | 109.5° |
| CDP | CBP | CEP | 110.1° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.4° |
| CBP | CDP | HDPA | 109.5° | 109.5° |
| CBP | CDP | HDPB | 109.5° | 109.5° |
| CCP | CBP | CEP | 109.5° | 109.4° |
| CBP | CCP | HCP | 107.9° | 109.4° |
| CBP | CCP | HCPA | 107.9° | 109.5° |
| CBP | CEP | HEP | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.5° | 109.5° |
| CBP | CEP | HEPB | 109.5° | 109.4° |
| HCP | CCP | HCPA | 109.5° | 109.4° |
| HDP | CDP | HDPA | 109.4° | 109.5° |
| HDP | CDP | HDPB | 109.5° | 109.5° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEP | CEP | HEPA | 109.5° | 109.5° |
| HEP | CEP | HEPB | 109.5° | 109.4° |
| HEPA | CEP | HEPB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O2 | S1P | 135.7° | 179.8° |
| C1 | C2 | C3 | H2 | 121.3° | 120.0° |
| C1 | C2 | C3 | H2A | 121.2° | 120.0° |
| C1 | C2 | H2 | H2A | 116.0° | 120.0° |
| C1 | C2 | C3 | C4 | 150.5° | 180.0° |
| C1 | C2 | C3 | H3 | 29.2° | 60.0° |
| C1 | C2 | C3 | H3A | 88.3° | 60.0° |
| C2 | C1 | S1P | C2P | 178.9° | 179.7° |
| O2 | C1 | C2 | C3 | 58.4° | 0.0° |
| O2 | C1 | C2 | H2 | 62.9° | 120.0° |
| O2 | C1 | C2 | H2A | 179.7° | 120.0° |
| O2 | C1 | S1P | C2P | 44.3° | 0.0° |
| S1P | C1 | C2 | C3 | 167.2° | 179.7° |
| S1P | C1 | C2 | H2 | 71.5° | 60.2° |
| S1P | C1 | C2 | H2A | 46.0° | 59.8° |
| C1 | S1P | C2P | C3P | 165.6° | 180.0° |
| C1 | S1P | C2P | H2P | 44.0° | 60.0° |
| C1 | S1P | C2P | H2PA | 72.9° | 60.0° |
| C3 | C2 | H2 | H2A | 116.0° | 120.0° |
| C2 | C3 | C4 | H3 | 121.3° | 120.1° |
| C2 | C3 | C4 | H3A | 121.3° | 120.0° |
| C2 | C3 | H3 | H3A | 115.9° | 120.0° |
| C2 | C3 | C4 | C5 | 121.3° | 180.0° |
| C2 | C3 | C4 | H4 | 0.2° | 59.9° |
| C2 | C3 | C4 | H4A | 117.6° | 60.0° |
| H2 | C2 | C3 | C4 | 88.3° | 60.0° |
| H2 | C2 | C3 | H3 | 150.5° | NaN° |
| H2 | C2 | C3 | H3A | 33.0° | 60.0° |
| H2A | C2 | C3 | C4 | 29.2° | 60.1° |
| H2A | C2 | C3 | H3 | 92.0° | 60.0° |
| H2A | C2 | C3 | H3A | 150.5° | 180.0° |
| C4 | C3 | H3 | H3A | 115.9° | 120.0° |
| C3 | C4 | C5 | H4 | 121.1° | 120.0° |
| C3 | C4 | C5 | H4A | 121.1° | 120.0° |
| C3 | C4 | H4 | H4A | 116.6° | 120.0° |
| C3 | C4 | C5 | C6 | 148.6° | 180.0° |
| C3 | C4 | C5 | H5 | 27.2° | 60.0° |
| C3 | C4 | C5 | H5A | 89.9° | 60.0° |
| H3 | C3 | C4 | C5 | 117.4° | 60.0° |
| H3 | C3 | C4 | H4 | 121.5° | 180.0° |
| H3 | C3 | C4 | H4A | 3.7° | 60.1° |
| H3A | C3 | C4 | C5 | 0.0° | 60.0° |
| H3A | C3 | C4 | H4 | 121.0° | 60.0° |
| H3A | C3 | C4 | H4A | 121.1° | 179.9° |
| C5 | C4 | H4 | H4A | 116.6° | 120.0° |
| C4 | C5 | C6 | H5 | 121.4° | 120.0° |
| C4 | C5 | C6 | H5A | 121.4° | 120.0° |
| C4 | C5 | H5 | H5A | 115.4° | 120.0° |
| C4 | C5 | C6 | C7 | 101.8° | 180.0° |
| C4 | C5 | C6 | H6 | 137.0° | 60.0° |
| C4 | C5 | C6 | H6A | 19.5° | 60.0° |
| H4 | C4 | C5 | C6 | 90.3° | 60.0° |
| H4 | C4 | C5 | H5 | 148.3° | 180.0° |
| H4 | C4 | C5 | H5A | 31.2° | 60.0° |
| H4A | C4 | C5 | C6 | 27.5° | 60.0° |
| H4A | C4 | C5 | H5 | 93.9° | 60.0° |
| H4A | C4 | C5 | H5A | 149.0° | 180.0° |
| C6 | C5 | H5 | H5A | 115.4° | 120.0° |
| C5 | C6 | C7 | H6 | 121.3° | 120.0° |
| C5 | C6 | C7 | H6A | 121.2° | 120.0° |
| C5 | C6 | H6 | H6A | 116.0° | 120.0° |
| C5 | C6 | C7 | C8 | 105.2° | 180.0° |
| C5 | C6 | C7 | H7 | 16.0° | 60.0° |
| C5 | C6 | C7 | H7A | 133.7° | 60.0° |
| H5 | C5 | C6 | C7 | 19.7° | 60.0° |
| H5 | C5 | C6 | H6 | 101.6° | 180.0° |
| H5 | C5 | C6 | H6A | 140.9° | 60.0° |
| H5A | C5 | C6 | C7 | 136.8° | 60.0° |
| H5A | C5 | C6 | H6 | 15.6° | 60.1° |
| H5A | C5 | C6 | H6A | 101.9° | 179.9° |
| C7 | C6 | H6 | H6A | 116.1° | 120.0° |
| C6 | C7 | C8 | H7 | 121.1° | 120.0° |
| C6 | C7 | C8 | H7A | 121.1° | 120.0° |
| C6 | C7 | H7 | H7A | 116.4° | 120.0° |
| C6 | C7 | C8 | C9 | 34.8° | 180.0° |
| C6 | C7 | C8 | H8 | 86.3° | 60.0° |
| C6 | C7 | C8 | H8A | 155.8° | 60.0° |
| H6 | C6 | C7 | C8 | 133.6° | 60.0° |
| H6 | C6 | C7 | H7 | 105.3° | 180.0° |
| H6 | C6 | C7 | H7A | 12.4° | 60.0° |
| H6A | C6 | C7 | C8 | 16.1° | 60.1° |
| H6A | C6 | C7 | H7 | 137.2° | 59.9° |
| H6A | C6 | C7 | H7A | 105.1° | 180.0° |
| C8 | C7 | H7 | H7A | 116.4° | 120.0° |
| C7 | C8 | C9 | H8 | 121.1° | 120.0° |
| C7 | C8 | C9 | H8A | 121.0° | 119.9° |
| C7 | C8 | H8 | H8A | 116.7° | 120.0° |
| C7 | C8 | C9 | C10 | 165.0° | 180.0° |
| C7 | C8 | C9 | H9 | 73.8° | 60.0° |
| C7 | C8 | C9 | H9A | 43.7° | 60.0° |
| H7 | C7 | C8 | C9 | 155.9° | 60.0° |
| H7 | C7 | C8 | H8 | 34.8° | 180.0° |
| H7 | C7 | C8 | H8A | 83.1° | 60.0° |
| H7A | C7 | C8 | C9 | 86.4° | 60.1° |
| H7A | C7 | C8 | H8 | 152.6° | 60.0° |
| H7A | C7 | C8 | H8A | 34.7° | 180.0° |
| C9 | C8 | H8 | H8A | 116.7° | 120.0° |
| C8 | C9 | C10 | H9 | 121.3° | 120.0° |
| C8 | C9 | C10 | H9A | 121.2° | 120.0° |
| C8 | C9 | H9 | H9A | 116.1° | 120.0° |
| C8 | C9 | C10 | C11 | 91.5° | 180.0° |
| C8 | C9 | C10 | H10 | 29.6° | 59.9° |
| C8 | C9 | C10 | H10A | 147.4° | 60.0° |
| H8 | C8 | C9 | C10 | 43.9° | 60.0° |
| H8 | C8 | C9 | H9 | 165.2° | 180.0° |
| H8 | C8 | C9 | H9A | 77.3° | 60.0° |
| H8A | C8 | C9 | C10 | 74.0° | 60.1° |
| H8A | C8 | C9 | H9 | 47.3° | 60.0° |
| H8A | C8 | C9 | H9A | 164.8° | 180.0° |
| C10 | C9 | H9 | H9A | 116.0° | 120.0° |
| C9 | C10 | C11 | H10 | 121.1° | 120.0° |
| C9 | C10 | C11 | H10A | 121.1° | 120.0° |
| C9 | C10 | H10 | H10A | 116.5° | 120.0° |
| C9 | C10 | C11 | C12 | 105.7° | 180.0° |
| C9 | C10 | C11 | H11 | 15.6° | 60.0° |
| C9 | C10 | C11 | H11A | 133.0° | 60.0° |
| H9 | C9 | C10 | C11 | 147.2° | 60.0° |
| H9 | C9 | C10 | H10 | 91.7° | 180.0° |
| H9 | C9 | C10 | H10A | 26.1° | 60.0° |
| H9A | C9 | C10 | C11 | 29.7° | 60.0° |
| H9A | C9 | C10 | H10 | 150.8° | 60.0° |
| H9A | C9 | C10 | H10A | 91.4° | 180.0° |
| C11 | C10 | H10 | H10A | 116.5° | 120.0° |
| C10 | C11 | C12 | H11 | 121.3° | 120.0° |
| C10 | C11 | C12 | H11A | 121.3° | 120.0° |
| C10 | C11 | H11 | H11A | 115.9° | 120.0° |
| C10 | C11 | C12 | C13 | 112.5° | 180.0° |
| C10 | C11 | C12 | H12 | 126.1° | 60.0° |
| C10 | C11 | C12 | H12A | 8.9° | 60.1° |
| H10 | C10 | C11 | C12 | 133.2° | 60.0° |
| H10 | C10 | C11 | H11 | 105.5° | 180.0° |
| H10 | C10 | C11 | H11A | 11.9° | 60.1° |
| H10A | C10 | C11 | C12 | 15.4° | 60.0° |
| H10A | C10 | C11 | H11 | 136.7° | 60.0° |
| H10A | C10 | C11 | H11A | 105.9° | 179.9° |
| C12 | C11 | H11 | H11A | 115.9° | 120.0° |
| C11 | C12 | C13 | H12 | 121.4° | 120.0° |
| C11 | C12 | C13 | H12A | 121.4° | 120.0° |
| C11 | C12 | H12 | H12A | 115.6° | 120.0° |
| C11 | C12 | C13 | C14 | 58.8° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 60.0° |
| C11 | C12 | C13 | H13A | 62.6° | 60.0° |
| H11 | C11 | C12 | C13 | 8.8° | 60.0° |
| H11 | C11 | C12 | H12 | 112.6° | 180.0° |
| H11 | C11 | C12 | H12A | 130.2° | 59.9° |
| H11A | C11 | C12 | C13 | 126.2° | 60.0° |
| H11A | C11 | C12 | H12 | 4.8° | 60.1° |
| H11A | C11 | C12 | H12A | 112.4° | 179.9° |
| C13 | C12 | H12 | H12A | 115.6° | 120.0° |
| C12 | C13 | C14 | H13 | 121.4° | 120.0° |
| C12 | C13 | C14 | H13A | 121.4° | 120.0° |
| C12 | C13 | H13 | H13A | 115.5° | 120.0° |
| C12 | C13 | C14 | C15 | 47.3° | 180.0° |
| C12 | C13 | C14 | H14 | 168.5° | 59.9° |
| C12 | C13 | C14 | H14A | 73.9° | 60.0° |
| H12 | C12 | C13 | C14 | 62.6° | 60.0° |
| H12 | C12 | C13 | H13 | 58.8° | 180.0° |
| H12 | C12 | C13 | H13A | 176.0° | 60.0° |
| H12A | C12 | C13 | C14 | 179.8° | 60.0° |
| H12A | C12 | C13 | H13 | 58.4° | 60.0° |
| H12A | C12 | C13 | H13A | 58.8° | 180.0° |
| C14 | C13 | H13 | H13A | 115.6° | 120.0° |
| C13 | C14 | C15 | H14 | 121.2° | 120.0° |
| C13 | C14 | C15 | H14A | 121.2° | 120.0° |
| C13 | C14 | H14 | H14A | 116.1° | 120.0° |
| C13 | C14 | C15 | C16 | 114.1° | 180.0° |
| C13 | C14 | C15 | H15 | 124.6° | 60.0° |
| C13 | C14 | C15 | H15A | 7.1° | 59.9° |
| H13 | C13 | C14 | C15 | 74.1° | 60.0° |
| H13 | C13 | C14 | H14 | 47.1° | 180.0° |
| H13 | C13 | C14 | H14A | 164.7° | 60.0° |
| H13A | C13 | C14 | C15 | 168.7° | 60.0° |
| H13A | C13 | C14 | H14 | 70.1° | 60.0° |
| H13A | C13 | C14 | H14A | 47.5° | 180.0° |
| C15 | C14 | H14 | H14A | 116.1° | 120.0° |
| C14 | C15 | C16 | H15 | 121.3° | 120.0° |
| C14 | C15 | C16 | H15A | 121.2° | 120.0° |
| C14 | C15 | H15 | H15A | 116.0° | 119.9° |
| C14 | C15 | C16 | C17 | 153.3° | 180.0° |
| C14 | C15 | C16 | H16 | 85.7° | 60.0° |
| C14 | C15 | C16 | H16A | 32.3° | 60.0° |
| H14 | C14 | C15 | C16 | 7.1° | 60.0° |
| H14 | C14 | C15 | H15 | 114.2° | 180.0° |
| H14 | C14 | C15 | H15A | 128.4° | 60.1° |
| H14A | C14 | C15 | C16 | 124.6° | 60.0° |
| H14A | C14 | C15 | H15 | 3.4° | 60.0° |
| H14A | C14 | C15 | H15A | 114.1° | 179.9° |
| C16 | C15 | H15 | H15A | 116.0° | 120.1° |
| C15 | C16 | C17 | H16 | 121.0° | 120.0° |
| C15 | C16 | C17 | H16A | 121.0° | 119.9° |
| C15 | C16 | H16 | H16A | 116.9° | 120.0° |
| C15 | C16 | C17 | C18 | 73.7° | 180.0° |
| C15 | C16 | C17 | H17 | 47.1° | 60.0° |
| C15 | C16 | C17 | H17A | 165.5° | 60.0° |
| H15 | C15 | C16 | C17 | 32.0° | 60.0° |
| H15 | C15 | C16 | H16 | 153.0° | 180.0° |
| H15 | C15 | C16 | H16A | 89.0° | 60.0° |
| H15A | C15 | C16 | C17 | 85.5° | 60.0° |
| H15A | C15 | C16 | H16 | 35.5° | 60.0° |
| H15A | C15 | C16 | H16A | 153.5° | 180.0° |
| C17 | C16 | H16 | H16A | 116.9° | 120.0° |
| C16 | C17 | C18 | H17 | 120.8° | 120.0° |
| C16 | C17 | C18 | H17A | 120.8° | 120.0° |
| C16 | C17 | H17 | H17A | 117.5° | 120.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18A | 60.0° | 60.0° |
| C16 | C17 | C18 | H18B | 60.0° | 60.0° |
| H16 | C16 | C17 | C18 | 165.3° | 60.0° |
| H16 | C16 | C17 | H17 | 73.9° | 180.0° |
| H16 | C16 | C17 | H17A | 44.5° | 60.0° |
| H16A | C16 | C17 | C18 | 47.3° | 60.0° |
| H16A | C16 | C17 | H17 | 168.1° | 60.0° |
| H16A | C16 | C17 | H17A | 73.5° | 180.0° |
| C18 | C17 | H17 | H17A | 117.5° | 120.0° |
| C17 | C18 | H18 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18B | 120.0° | 120.1° |
| C17 | C18 | H18A | H18B | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 59.2° | 60.0° |
| H17 | C17 | C18 | H18A | 179.2° | 180.0° |
| H17 | C17 | C18 | H18B | 60.8° | 60.0° |
| H17A | C17 | C18 | H18 | 59.2° | 60.0° |
| H17A | C17 | C18 | H18A | 60.8° | 60.0° |
| H17A | C17 | C18 | H18B | 179.2° | 179.9° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| C6A | N1A | C2A | N3A | 0.9° | 0.0° |
| C6A | N1A | C2A | H2AA | 179.1° | 180.0° |
| N1A | C6A | C5A | C4A | 0.1° | 0.0° |
| N1A | C6A | C5A | N7A | 179.8° | 180.0° |
| N1A | C6A | C5A | N6A | 179.9° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.0° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| N1A | C2A | N3A | H2AA | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.5° | 0.0° |
| C2A | N1A | C6A | C5A | 0.7° | 0.0° |
| C2A | N1A | C6A | N6A | 179.4° | 180.0° |
| O1A | P1A | O3A | O2A | 124.1° | 120.0° |
| O1A | P1A | O3A | O5B | 117.5° | 120.0° |
| O1A | P1A | O2A | O5B | 118.3° | 120.0° |
| O1A | P1A | O2A | HO2A | 0.0° | 180.0° |
| O1A | P1A | O3A | P2A | 34.1° | 40.0° |
| O1A | P1A | O5B | C5B | 136.6° | 55.0° |
| O3A | P1A | O2A | O5B | 115.6° | 120.0° |
| O3A | P1A | O2A | HO2A | 126.0° | 60.0° |
| P1A | O3A | P2A | O5A | 132.0° | 40.0° |
| P1A | O3A | P2A | O4A | 13.0° | 80.0° |
| P1A | O3A | P2A | O6A | 108.7° | 160.0° |
| O3A | P1A | O5B | C5B | 100.3° | 175.0° |
| O2A | P1A | O3A | P2A | 158.2° | 80.0° |
| O2A | P1A | O5B | C5B | 15.0° | 65.0° |
| O5B | P1A | O2A | HO2A | 118.3° | 60.0° |
| O5B | P1A | O3A | P2A | 83.4° | 160.0° |
| P1A | O5B | C5B | C4B | 133.5° | 180.0° |
| P1A | O5B | C5B | H5B | 106.5° | 60.0° |
| P1A | O5B | C5B | H5BA | 13.5° | 60.0° |
| N9A | C1B | C2B | O4B | 115.8° | 118.7° |
| N9A | C1B | C2B | H1B | 121.7° | 122.8° |
| N9A | C1B | O4B | H1B | 122.9° | 122.9° |
| N9A | C1B | C2B | O2B | 78.7° | 86.1° |
| N9A | C1B | C2B | C3B | 158.4° | 155.7° |
| N9A | C1B | C2B | H2B | 44.7° | 37.5° |
| C1B | N9A | C4A | N3A | 1.9° | 0.1° |
| C1B | N9A | C4A | C5A | 178.2° | 180.0° |
| C1B | N9A | C4A | C8A | 178.1° | 180.0° |
| N9A | C1B | O4B | C4B | 147.1° | 158.6° |
| C1B | N9A | C8A | N7A | 178.7° | 180.0° |
| C1B | N9A | C8A | H8AA | 1.3° | 0.0° |
| C2B | C1B | O4B | H1B | 121.4° | 118.5° |
| C1B | C2B | O2B | C3B | 115.9° | 112.7° |
| C1B | C2B | O2B | H2B | 122.7° | 123.7° |
| C1B | C2B | C3B | H2B | 114.0° | 118.2° |
| C1B | C2B | O2B | HO2B | 180.0° | 61.5° |
| C1B | C2B | C3B | C4B | 35.6° | 20.9° |
| C1B | C2B | C3B | O3B | 83.5° | 97.8° |
| C1B | C2B | C3B | H3B | 151.0° | 139.7° |
| C2B | C1B | N9A | C4A | 167.9° | 87.1° |
| C2B | C1B | O4B | C4B | 31.4° | 40.1° |
| C2B | C1B | N9A | C8A | 14.3° | 92.8° |
| O4B | C1B | C2B | O2B | 165.5° | 155.2° |
| O4B | C1B | C2B | C3B | 42.6° | 37.0° |
| O4B | C1B | C2B | H2B | 71.1° | 81.2° |
| C1B | O4B | C4B | C3B | 7.2° | 26.5° |
| O4B | C1B | N9A | C4A | 77.3° | 158.7° |
| C1B | O4B | C4B | C5B | 131.2° | 146.0° |
| C1B | O4B | C4B | H4B | 107.3° | 92.9° |
| O4B | C1B | N9A | C8A | 100.5° | 21.3° |
| H1B | C1B | C2B | O2B | 43.0° | 36.6° |
| H1B | C1B | C2B | C3B | 79.8° | 81.5° |
| H1B | C1B | C2B | H2B | 166.4° | 160.3° |
| H1B | C1B | N9A | C4A | 46.4° | 35.7° |
| H1B | C1B | O4B | C4B | 90.0° | 78.5° |
| H1B | C1B | N9A | C8A | 135.8° | 144.3° |
| S1P | C2P | C3P | H2P | 121.5° | 120.0° |
| S1P | C2P | C3P | H2PA | 121.6° | 120.0° |
| S1P | C2P | H2P | H2PA | 115.0° | 120.0° |
| S1P | C2P | C3P | N4P | 105.1° | 180.0° |
| S1P | C2P | C3P | H3P | 16.3° | 60.0° |
| S1P | C2P | C3P | H3PA | 133.5° | 60.0° |
| C2A | N3A | C4A | C5A | 0.1° | 0.0° |
| C2A | N3A | C4A | N9A | 179.9° | 179.9° |
| H2AA | C2A | N3A | C4A | 179.5° | 180.0° |
| O5A | P2A | O4A | O6A | 126.9° | 120.0° |
| O5A | P2A | O4A | O3A | 120.4° | 120.0° |
| O5A | P2A | O6A | O3A | 118.0° | 120.0° |
| O5A | P2A | O4A | HO4A | 114.7° | 180.0° |
| O5A | P2A | O6A | CCP | 161.3° | 55.0° |
| O4A | P2A | O6A | O3A | 117.1° | 120.0° |
| O4A | P2A | O6A | CCP | 36.4° | 65.0° |
| O6A | P2A | O4A | HO4A | 118.3° | 60.0° |
| P2A | O6A | CCP | CBP | 88.7° | 180.0° |
| P2A | O6A | CCP | HCP | 32.3° | 60.0° |
| P2A | O6A | CCP | HCPA | 150.4° | 60.0° |
| O3A | P2A | O4A | HO4A | 5.7° | 60.0° |
| O3A | P2A | O6A | CCP | 80.7° | 175.0° |
| O2B | C2B | C3B | H2B | 122.3° | 123.6° |
| O2B | C2B | C3B | C4B | 159.3° | 139.1° |
| O2B | C2B | C3B | O3B | 40.2° | 20.4° |
| O2B | C2B | C3B | H3B | 85.3° | 102.1° |
| C3B | C2B | O2B | HO2B | 64.1° | 174.1° |
| C2B | C3B | C4B | O3B | 120.5° | 118.7° |
| C2B | C3B | C4B | H3B | 116.1° | 118.8° |
| C2B | C3B | O3B | H3B | 124.5° | 122.5° |
| C2B | C3B | O3B | P3B | 152.0° | 121.5° |
| C2B | C3B | C4B | C5B | 105.7° | 121.6° |
| C2B | C3B | C4B | O4B | 18.6° | 2.0° |
| C2B | C3B | C4B | H4B | 134.2° | 117.4° |
| H2B | C2B | O2B | HO2B | 57.3° | 62.2° |
| H2B | C2B | C3B | C4B | 78.4° | 97.3° |
| H2B | C2B | C3B | O3B | 162.5° | 144.0° |
| H2B | C2B | C3B | H3B | 37.0° | 21.5° |
| C3P | C2P | H2P | H2PA | 115.0° | 120.0° |
| C2P | C3P | N4P | H3P | 121.4° | 120.0° |
| C2P | C3P | N4P | H3PA | 121.4° | 120.0° |
| C2P | C3P | H3P | H3PA | 115.5° | 120.0° |
| C2P | C3P | N4P | C5P | 108.5° | 180.0° |
| C2P | C3P | N4P | HN4P | 71.5° | 0.0° |
| H2P | C2P | C3P | N4P | 133.4° | 60.0° |
| H2P | C2P | C3P | H3P | 105.2° | 180.0° |
| H2P | C2P | C3P | H3PA | 12.0° | 60.0° |
| H2PA | C2P | C3P | N4P | 16.5° | 60.0° |
| H2PA | C2P | C3P | H3P | 137.9° | 60.0° |
| H2PA | C2P | C3P | H3PA | 105.0° | 180.0° |
| N3A | C4A | C5A | N9A | 180.0° | 179.9° |
| N3A | C4A | C5A | N7A | 179.4° | 180.0° |
| N3A | C4A | C5A | C6A | 0.3° | 0.0° |
| N3A | C4A | N9A | C8A | 180.0° | 180.0° |
| C4B | C3B | O3B | H3B | 121.8° | 122.7° |
| C4B | C3B | O3B | P3B | 94.3° | 123.8° |
| C3B | C4B | C5B | O4B | 118.5° | 117.9° |
| C3B | C4B | C5B | H4B | 119.6° | 121.0° |
| C3B | C4B | O4B | H4B | 114.5° | 119.4° |
| C3B | C4B | C5B | O5B | 69.0° | 175.0° |
| C3B | C4B | C5B | H5B | 171.0° | 55.0° |
| C3B | C4B | C5B | H5BA | 51.0° | 65.0° |
| C3B | O3B | P3B | O9A | 68.1° | 55.0° |
| C3B | O3B | P3B | O7A | 50.9° | 65.0° |
| C3B | O3B | P3B | O8A | 171.9° | 175.0° |
| O3B | C3B | C4B | C5B | 133.8° | 119.7° |
| O3B | C3B | C4B | O4B | 101.9° | 120.7° |
| O3B | C3B | C4B | H4B | 13.7° | 1.3° |
| H3B | C3B | O3B | P3B | 27.5° | 1.1° |
| H3B | C3B | C4B | C5B | 10.4° | 2.8° |
| H3B | C3B | C4B | O4B | 134.7° | 116.7° |
| H3B | C3B | C4B | H4B | 109.7° | 123.9° |
| O3B | P3B | O9A | O7A | 120.1° | 120.0° |
| O3B | P3B | O9A | O8A | 116.1° | 120.0° |
| O3B | P3B | O7A | O8A | 121.3° | 120.0° |
| O3B | P3B | O7A | HO7A | 111.9° | 60.0° |
| O3B | P3B | O8A | HO8A | 110.7° | 179.9° |
| O9A | P3B | O7A | O8A | 126.8° | 120.0° |
| O9A | P3B | O7A | HO7A | 0.0° | 179.9° |
| O9A | P3B | O8A | HO8A | 0.0° | 60.0° |
| O7A | P3B | O8A | HO8A | 125.4° | 60.1° |
| O8A | P3B | O7A | HO7A | 126.8° | 60.0° |
| N4P | C3P | H3P | H3PA | 115.5° | 120.0° |
| C3P | N4P | C5P | HN4P | 180.0° | 180.0° |
| C3P | N4P | C5P | O5P | 21.0° | 0.0° |
| C3P | N4P | C5P | C6P | 179.5° | 180.0° |
| H3P | C3P | N4P | C5P | 12.9° | 60.0° |
| H3P | C3P | N4P | HN4P | 167.1° | 120.0° |
| H3PA | C3P | N4P | C5P | 130.1° | 60.0° |
| H3PA | C3P | N4P | HN4P | 49.9° | 120.0° |
| C4A | C5A | N7A | C6A | 179.7° | 180.0° |
| C4A | C5A | C6A | N6A | 180.0° | 179.9° |
| C4A | C5A | N7A | C8A | 0.9° | 0.0° |
| C5A | C4A | N9A | C8A | 0.0° | 0.1° |
| N9A | C4A | C5A | N7A | 0.6° | 0.1° |
| N9A | C4A | C5A | C6A | 179.7° | 180.0° |
| C4A | N9A | C8A | N7A | 0.6° | 0.1° |
| C4A | N9A | C8A | H8AA | 179.4° | 180.0° |
| C5B | C4B | O4B | H4B | 121.5° | 121.1° |
| C4B | C5B | O5B | H5B | 120.0° | 120.0° |
| C4B | C5B | O5B | H5BA | 120.0° | 120.0° |
| C4B | C5B | H5B | H5BA | 120.0° | 120.0° |
| O4B | C4B | C5B | O5B | 49.5° | 67.1° |
| O4B | C4B | C5B | H5B | 70.6° | 172.9° |
| O4B | C4B | C5B | H5BA | 169.5° | 52.9° |
| H4B | C4B | C5B | O5B | 171.4° | 54.0° |
| H4B | C4B | C5B | H5B | 51.3° | 66.0° |
| H4B | C4B | C5B | H5BA | 68.6° | 174.0° |
| N4P | C5P | O5P | C6P | 160.7° | 180.0° |
| N4P | C5P | C6P | C7P | 156.8° | 180.0° |
| N4P | C5P | C6P | H6P | 84.5° | 60.0° |
| N4P | C5P | C6P | H6PA | 38.1° | 60.0° |
| HN4P | N4P | C5P | O5P | 159.0° | 180.0° |
| HN4P | N4P | C5P | C6P | 0.5° | 0.0° |
| N7A | C5A | C6A | N6A | 0.3° | 0.0° |
| C5A | N7A | C8A | N9A | 1.0° | 0.0° |
| C5A | N7A | C8A | H8AA | 179.0° | 180.0° |
| C5A | C6A | N6A | HN6A | 179.9° | 180.0° |
| C5A | C6A | N6A | HN6B | 59.9° | 0.0° |
| C6A | C5A | N7A | C8A | 179.4° | 180.0° |
| O5B | C5B | H5B | H5BA | 119.9° | 120.0° |
| O5P | C5P | C6P | C7P | 1.8° | 0.0° |
| O5P | C5P | C6P | H6P | 116.9° | 120.0° |
| O5P | C5P | C6P | H6PA | 120.6° | 119.9° |
| C5P | C6P | C7P | H6P | 118.7° | 120.0° |
| C5P | C6P | C7P | H6PA | 118.7° | 119.9° |
| C5P | C6P | H6P | H6PA | 123.7° | 120.0° |
| C5P | C6P | C7P | N8P | 159.2° | 180.0° |
| C5P | C6P | C7P | H7P | 79.2° | 60.0° |
| C5P | C6P | C7P | H7PA | 37.6° | 60.1° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| O6A | CCP | CBP | CAP | 41.3° | 180.0° |
| O6A | CCP | CBP | CDP | 75.9° | 60.0° |
| O6A | CCP | CBP | HCP | 120.9° | 120.0° |
| O6A | CCP | CBP | HCPA | 120.9° | 120.1° |
| O6A | CCP | CBP | CEP | 161.5° | 60.0° |
| O6A | CCP | HCP | HCPA | 117.1° | 120.1° |
| C7P | C6P | H6P | H6PA | 123.7° | 120.0° |
| C6P | C7P | N8P | H7P | 121.6° | 120.0° |
| C6P | C7P | N8P | H7PA | 121.6° | 120.0° |
| C6P | C7P | H7P | H7PA | 114.7° | 120.1° |
| C6P | C7P | N8P | C9P | 43.8° | 180.0° |
| C6P | C7P | N8P | HN8P | 136.2° | 0.0° |
| H6P | C6P | C7P | N8P | 40.5° | 60.0° |
| H6P | C6P | C7P | H7P | 162.1° | 180.0° |
| H6P | C6P | C7P | H7PA | 81.1° | 60.0° |
| H6PA | C6P | C7P | N8P | 82.1° | 60.0° |
| H6PA | C6P | C7P | H7P | 39.5° | 59.9° |
| H6PA | C6P | C7P | H7PA | 156.3° | 180.0° |
| N7A | C8A | N9A | H8AA | 180.0° | 180.0° |
| N8P | C7P | H7P | H7PA | 114.7° | 120.0° |
| C7P | N8P | C9P | HN8P | 180.0° | 180.0° |
| C7P | N8P | C9P | CAP | 158.9° | 174.9° |
| C7P | N8P | C9P | O9P | 38.8° | 5.2° |
| H7P | C7P | N8P | C9P | 165.4° | 60.0° |
| H7P | C7P | N8P | HN8P | 14.5° | 120.0° |
| H7PA | C7P | N8P | C9P | 77.8° | 60.0° |
| H7PA | C7P | N8P | HN8P | 102.2° | 120.0° |
| N8P | C9P | CAP | O9P | 162.0° | 180.0° |
| N8P | C9P | CAP | OAP | 12.2° | 11.7° |
| N8P | C9P | CAP | CBP | 111.3° | 108.3° |
| N8P | C9P | CAP | HAP | 130.0° | 131.8° |
| HN8P | N8P | C9P | CAP | 21.1° | 5.1° |
| HN8P | N8P | C9P | O9P | 141.2° | 174.8° |
| C9P | CAP | OAP | CBP | 124.2° | 120.0° |
| C9P | CAP | OAP | HAP | 116.8° | 120.1° |
| C9P | CAP | CBP | HAP | 118.7° | 120.0° |
| C9P | CAP | OAP | HOAP | 180.0° | 59.9° |
| C9P | CAP | CBP | CDP | 148.6° | 66.0° |
| C9P | CAP | CBP | CCP | 91.0° | 174.0° |
| C9P | CAP | CBP | CEP | 28.3° | 54.1° |
| O9P | C9P | CAP | OAP | 174.1° | 168.2° |
| O9P | C9P | CAP | CBP | 50.7° | 71.8° |
| O9P | C9P | CAP | HAP | 68.0° | 48.2° |
| OAP | CAP | CBP | HAP | 120.0° | 120.0° |
| OAP | CAP | CBP | CDP | 27.3° | 174.0° |
| OAP | CAP | CBP | CCP | 147.7° | 54.0° |
| OAP | CAP | CBP | CEP | 93.1° | 65.9° |
| CBP | CAP | OAP | HOAP | 55.7° | 60.0° |
| CAP | CBP | CDP | CCP | 116.8° | 120.0° |
| CAP | CBP | CDP | CEP | 121.0° | 120.0° |
| CAP | CBP | CCP | CEP | 120.2° | 120.0° |
| CAP | CBP | CCP | HCP | 162.2° | 60.0° |
| CAP | CBP | CCP | HCPA | 79.7° | 59.9° |
| CAP | CBP | CDP | HDP | 180.0° | 64.4° |
| CAP | CBP | CDP | HDPA | 60.0° | 175.6° |
| CAP | CBP | CDP | HDPB | 60.0° | 55.6° |
| CAP | CBP | CEP | HEP | 180.0° | 59.9° |
| CAP | CBP | CEP | HEPA | 60.0° | 180.0° |
| CAP | CBP | CEP | HEPB | 60.0° | 60.0° |
| HAP | CAP | OAP | HOAP | 63.2° | 180.0° |
| HAP | CAP | CBP | CDP | 92.7° | 54.0° |
| HAP | CAP | CBP | CCP | 27.7° | 66.0° |
| HAP | CAP | CBP | CEP | 146.9° | 174.1° |
| CDP | CBP | CCP | CEP | 122.6° | 120.0° |
| CDP | CBP | CCP | HCP | 45.0° | 60.0° |
| CDP | CBP | CCP | HCPA | 163.1° | 179.9° |
| CBP | CDP | HDP | HDPA | 120.0° | 120.0° |
| CBP | CDP | HDP | HDPB | 120.0° | 120.0° |
| CBP | CDP | HDPA | HDPB | 120.0° | 120.1° |
| CDP | CBP | CEP | HEP | 61.3° | 180.0° |
| CDP | CBP | CEP | HEPA | 178.7° | 60.0° |
| CDP | CBP | CEP | HEPB | 58.7° | 60.0° |
| CBP | CCP | HCP | HCPA | 117.1° | 119.9° |
| CCP | CBP | CDP | HDP | 63.2° | 175.6° |
| CCP | CBP | CDP | HDPA | 176.8° | 55.6° |
| CCP | CBP | CDP | HDPB | 56.8° | 64.4° |
| CCP | CBP | CEP | HEP | 62.5° | 60.0° |
| CCP | CBP | CEP | HEPA | 57.5° | 60.0° |
| CCP | CBP | CEP | HEPB | 177.5° | 180.0° |
| CEP | CBP | CCP | HCP | 77.6° | 180.0° |
| CEP | CBP | CCP | HCPA | 40.5° | 60.1° |
| CEP | CBP | CDP | HDP | 59.0° | 55.6° |
| CEP | CBP | CDP | HDPA | 61.0° | 64.3° |
| CEP | CBP | CDP | HDPB | 179.0° | 175.6° |
| CBP | CEP | HEP | HEPA | 120.0° | 120.1° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEPB | 120.0° | 120.0° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 119.9° |
