A1JZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5A | P2A | doub | 1.48Å | 1.48Å | |
| O9P | C9P | doub | 1.21Å | 1.23Å | |
| O2A | P1A | doub | 1.48Å | 1.48Å | |
| P2A | O4A | sing | 1.61Å | 1.49Å | |
| P2A | O6A | sing | 1.61Å | 1.62Å | |
| P2A | O3A | sing | 1.61Å | 1.65Å | |
| CDP | CBP | sing | 1.53Å | 1.55Å | |
| O1A | P1A | sing | 1.61Å | 1.48Å | |
| C9P | CAP | sing | 1.51Å | 1.57Å | |
| C9P | N8P | sing | 1.35Å | 1.35Å | |
| O6A | CCP | sing | 1.43Å | 1.44Å | |
| CAP | CBP | sing | 1.53Å | 1.57Å | |
| CAP | OAP | sing | 1.43Å | 1.44Å | |
| P1A | O3A | sing | 1.61Å | 1.67Å | |
| P1A | O5B | sing | 1.61Å | 1.57Å | |
| CBP | CCP | sing | 1.53Å | 1.55Å | |
| CBP | CEP | sing | 1.53Å | 1.54Å | |
| N8P | C7P | sing | 1.46Å | 1.47Å | |
| C7P | C6P | sing | 1.53Å | 1.51Å | |
| O5B | C5B | sing | 1.43Å | 1.39Å | |
| O5P | C5P | doub | 1.21Å | 1.22Å | |
| O8A | P3B | doub | 1.48Å | 1.47Å | |
| C6P | C5P | sing | 1.51Å | 1.49Å | |
| C5P | N4P | sing | 1.35Å | 1.34Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C3B | C2B | sing | 1.54Å | 1.54Å | |
| C3B | O3B | sing | 1.43Å | 1.45Å | |
| C3B | C4B | sing | 1.54Å | 1.53Å | |
| O2B | C2B | sing | 1.43Å | 1.45Å | |
| C2B | C1B | sing | 1.55Å | 1.50Å | |
| P3B | O9A | sing | 1.61Å | 1.48Å | |
| P3B | O3B | sing | 1.61Å | 1.61Å | |
| P3B | O7A | sing | 1.61Å | 1.49Å | |
| N4P | C3P | sing | 1.46Å | 1.48Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C3P | C2P | sing | 1.53Å | 1.48Å | |
| C8A | N7A | doub | 1.30Å | 1.32Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.32Å | Aromatic |
| C1B | O4B | sing | 1.44Å | 1.44Å | |
| C1B | N9A | sing | 1.47Å | 1.48Å | |
| N7A | C5A | sing | 1.35Å | 1.33Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.32Å | Aromatic |
| C2P | S1P | sing | 1.81Å | 1.83Å | |
| C5A | C4A | doub | 1.41Å | 1.33Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.33Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.35Å | Aromatic |
| S1P | C1 | sing | 1.71Å | 1.86Å | |
| N6A | C6A | sing | 1.38Å | 1.34Å | |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.39Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.40Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.31Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| O1A | H18 | sing | 0.97Å | 0.95Å | |
| C1B | H19 | sing | 1.09Å | 1.10Å | |
| C2A | H20 | sing | 1.08Å | 1.08Å | |
| C2B | H21 | sing | 1.09Å | 1.10Å | |
| O2B | H22 | sing | 0.97Å | 0.95Å | |
| C2P | H23 | sing | 1.09Å | 1.10Å | |
| C2P | H24 | sing | 1.09Å | 1.10Å | |
| C3B | H25 | sing | 1.09Å | 1.10Å | |
| C3P | H26 | sing | 1.09Å | 1.10Å | |
| C3P | H27 | sing | 1.09Å | 1.10Å | |
| O4A | H28 | sing | 0.97Å | 0.95Å | |
| C4B | H29 | sing | 1.09Å | 1.10Å | |
| N4P | H30 | sing | 0.97Å | 1.00Å | |
| C5B | H31 | sing | 1.09Å | 1.10Å | |
| C5B | H32 | sing | 1.09Å | 1.10Å | |
| N6A | H33 | sing | 0.97Å | 1.00Å | |
| N6A | H34 | sing | 0.97Å | 1.00Å | |
| C6P | H35 | sing | 1.09Å | 1.10Å | |
| C6P | H36 | sing | 1.09Å | 1.10Å | |
| O7A | H37 | sing | 0.97Å | 0.95Å | |
| C7P | H38 | sing | 1.09Å | 1.10Å | |
| C7P | H39 | sing | 1.09Å | 1.10Å | |
| C8A | H40 | sing | 1.08Å | 1.08Å | |
| N8P | H41 | sing | 0.97Å | 1.00Å | |
| O9A | H42 | sing | 0.97Å | 0.95Å | |
| CAP | H43 | sing | 1.09Å | 1.10Å | |
| OAP | H44 | sing | 0.97Å | 0.95Å | |
| CCP | H45 | sing | 1.09Å | 1.10Å | |
| CCP | H46 | sing | 1.09Å | 1.10Å | |
| CDP | H47 | sing | 1.09Å | 1.10Å | |
| CDP | H48 | sing | 1.09Å | 1.10Å | |
| CDP | H49 | sing | 1.09Å | 1.10Å | |
| CEP | H50 | sing | 1.09Å | 1.10Å | |
| CEP | H51 | sing | 1.09Å | 1.10Å | |
| CEP | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5A | P2A | O4A | 121.6° | 109.5° |
| O5A | P2A | O6A | 103.5° | 109.5° |
| O5A | P2A | O3A | 110.7° | 109.4° |
| O9P | C9P | CAP | 122.5° | 120.0° |
| O9P | C9P | N8P | 124.2° | 120.0° |
| O2A | P1A | O1A | 119.2° | 109.4° |
| O2A | P1A | O3A | 110.3° | 109.5° |
| O2A | P1A | O5B | 107.0° | 109.5° |
| O4A | P2A | O6A | 109.6° | 109.5° |
| O4A | P2A | O3A | 110.5° | 109.4° |
| P2A | O4A | H28 | 109.5° | 114.0° |
| O6A | P2A | O3A | 98.1° | 109.5° |
| P2A | O6A | CCP | 127.7° | 123.0° |
| P2A | O3A | P1A | 121.8° | 134.0° |
| CDP | CBP | CAP | 108.1° | 109.5° |
| CDP | CBP | CCP | 108.7° | 109.5° |
| CDP | CBP | CEP | 111.5° | 109.4° |
| CBP | CDP | H47 | 109.5° | 109.5° |
| CBP | CDP | H48 | 109.5° | 109.5° |
| CBP | CDP | H49 | 109.4° | 109.5° |
| O1A | P1A | O3A | 109.1° | 109.5° |
| O1A | P1A | O5B | 106.6° | 109.5° |
| P1A | O1A | H18 | 109.5° | 114.0° |
| CAP | C9P | N8P | 113.2° | 120.0° |
| C9P | CAP | CBP | 114.6° | 109.4° |
| C9P | CAP | OAP | 108.6° | 109.5° |
| C9P | CAP | H43 | 107.9° | 109.5° |
| C9P | N8P | C7P | 127.3° | 120.0° |
| C9P | N8P | H41 | 116.3° | 119.9° |
| O6A | CCP | CBP | 106.1° | 109.4° |
| O6A | CCP | H45 | 110.3° | 109.5° |
| O6A | CCP | H46 | 110.3° | 109.5° |
| CBP | CAP | OAP | 108.3° | 109.4° |
| CAP | CBP | CCP | 113.9° | 109.5° |
| CAP | CBP | CEP | 109.2° | 109.5° |
| CBP | CAP | H43 | 107.8° | 109.5° |
| OAP | CAP | H43 | 109.5° | 109.5° |
| CAP | OAP | H44 | 109.5° | 114.0° |
| O3A | P1A | O5B | 103.3° | 109.5° |
| P1A | O5B | C5B | 119.2° | 123.0° |
| CCP | CBP | CEP | 105.5° | 109.5° |
| CBP | CCP | H45 | 110.3° | 109.5° |
| CBP | CCP | H46 | 110.3° | 109.5° |
| CBP | CEP | H50 | 109.5° | 109.5° |
| CBP | CEP | H51 | 109.5° | 109.5° |
| CBP | CEP | H52 | 109.5° | 109.5° |
| N8P | C7P | C6P | 105.2° | 109.5° |
| N8P | C7P | H38 | 110.5° | 109.5° |
| N8P | C7P | H39 | 110.5° | 109.5° |
| C7P | N8P | H41 | 116.3° | 120.0° |
| C7P | C6P | C5P | 103.3° | 109.5° |
| C7P | C6P | H35 | 111.0° | 109.4° |
| C7P | C6P | H36 | 111.0° | 109.5° |
| C6P | C7P | H38 | 110.5° | 109.4° |
| C6P | C7P | H39 | 110.5° | 109.5° |
| O5B | C5B | C4B | 103.5° | 109.5° |
| O5B | C5B | H31 | 110.9° | 109.5° |
| O5B | C5B | H32 | 110.9° | 109.5° |
| O5P | C5P | C6P | 118.7° | 120.0° |
| O5P | C5P | N4P | 123.5° | 120.0° |
| O8A | P3B | O9A | 116.8° | 109.4° |
| O8A | P3B | O3B | 105.1° | 109.5° |
| O8A | P3B | O7A | 113.8° | 109.5° |
| C6P | C5P | N4P | 117.8° | 120.0° |
| C5P | C6P | H35 | 111.0° | 109.5° |
| C5P | C6P | H36 | 111.0° | 109.5° |
| C5P | N4P | C3P | 119.6° | 120.0° |
| C5P | N4P | H30 | 120.2° | 120.0° |
| C5B | C4B | C3B | 113.0° | 110.4° |
| C5B | C4B | O4B | 105.7° | 110.4° |
| C5B | C4B | H29 | 110.2° | 110.4° |
| C4B | C5B | H31 | 111.0° | 109.4° |
| C4B | C5B | H32 | 110.9° | 109.4° |
| C2B | C3B | O3B | 110.9° | 110.5° |
| C2B | C3B | C4B | 103.3° | 104.1° |
| C3B | C2B | O2B | 113.0° | 110.6° |
| C3B | C2B | C1B | 100.5° | 104.0° |
| C3B | C2B | H21 | 110.3° | 110.6° |
| C2B | C3B | H25 | 110.6° | 110.5° |
| O3B | C3B | C4B | 109.2° | 110.6° |
| C3B | O3B | P3B | 122.3° | 123.0° |
| O3B | C3B | H25 | 111.9° | 110.4° |
| C3B | C4B | O4B | 106.2° | 104.8° |
| C4B | C3B | H25 | 110.6° | 110.6° |
| C3B | C4B | H29 | 110.2° | 110.4° |
| O2B | C2B | C1B | 110.2° | 110.5° |
| O2B | C2B | H21 | 111.5° | 110.4° |
| C2B | O2B | H22 | 109.5° | 114.0° |
| C2B | C1B | O4B | 103.5° | 104.8° |
| C2B | C1B | N9A | 113.2° | 110.3° |
| C2B | C1B | H19 | 110.3° | 110.5° |
| C1B | C2B | H21 | 110.8° | 110.5° |
| O9A | P3B | O3B | 103.7° | 109.5° |
| O9A | P3B | O7A | 113.9° | 109.5° |
| P3B | O9A | H42 | 109.5° | 114.1° |
| O3B | P3B | O7A | 101.3° | 109.5° |
| P3B | O7A | H37 | 109.5° | 114.0° |
| N4P | C3P | C2P | 109.9° | 109.5° |
| N4P | C3P | H26 | 109.4° | 109.5° |
| N4P | C3P | H27 | 109.4° | 109.5° |
| C3P | N4P | H30 | 120.2° | 120.0° |
| C4B | O4B | C1B | 107.4° | 105.2° |
| O4B | C4B | H29 | 111.5° | 110.4° |
| C3P | C2P | S1P | 103.4° | 109.5° |
| C3P | C2P | H23 | 111.0° | 109.4° |
| C3P | C2P | H24 | 111.0° | 109.5° |
| C2P | C3P | H26 | 109.4° | 109.4° |
| C2P | C3P | H27 | 109.4° | 109.5° |
| N7A | C8A | N9A | 108.0° | 110.0° |
| C8A | N7A | C5A | 107.9° | 109.5° |
| N7A | C8A | H40 | 126.0° | 125.0° |
| C8A | N9A | C1B | 128.3° | 126.3° |
| C8A | N9A | C4A | 108.8° | 107.5° |
| N9A | C8A | H40 | 126.0° | 125.0° |
| O4B | C1B | N9A | 107.8° | 110.4° |
| O4B | C1B | H19 | 111.2° | 110.4° |
| C1B | N9A | C4A | 123.0° | 126.3° |
| N9A | C1B | H19 | 110.6° | 110.3° |
| N7A | C5A | C4A | 108.0° | 107.1° |
| N7A | C5A | C6A | 132.0° | 134.7° |
| N9A | C4A | C5A | 107.4° | 106.0° |
| N9A | C4A | N3A | 130.6° | 134.9° |
| C2P | S1P | C1 | 97.7° | 100.0° |
| S1P | C2P | H23 | 111.0° | 109.5° |
| S1P | C2P | H24 | 111.0° | 109.5° |
| C4A | C5A | C6A | 120.0° | 118.2° |
| C5A | C4A | N3A | 122.1° | 119.1° |
| C5A | C6A | N6A | 117.0° | 120.8° |
| C5A | C6A | N1A | 121.2° | 118.4° |
| C4A | N3A | C2A | 119.3° | 120.6° |
| S1P | C1 | O1 | 121.1° | 120.0° |
| S1P | C1 | C2 | 118.4° | 120.0° |
| N6A | C6A | N1A | 121.7° | 120.8° |
| C6A | N6A | H33 | 109.5° | 120.0° |
| C6A | N6A | H34 | 109.5° | 120.0° |
| C6A | N1A | C2A | 119.9° | 121.2° |
| N3A | C2A | N1A | 117.5° | 122.5° |
| N3A | C2A | H20 | 121.3° | 118.7° |
| N1A | C2A | H20 | 121.2° | 118.8° |
| O1 | C1 | C2 | 120.5° | 120.0° |
| C1 | C2 | C3 | 108.3° | 109.4° |
| C1 | C2 | H1 | 109.8° | 109.5° |
| C1 | C2 | H2 | 109.8° | 109.5° |
| C2 | C3 | O3 | 113.2° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.5° |
| C3 | C2 | H1 | 109.8° | 109.5° |
| C3 | C2 | H2 | 109.8° | 109.5° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| O3 | C3 | C4 | 108.8° | 109.4° |
| O3 | C3 | H3 | 108.4° | 109.5° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| C3 | C4 | C5 | 121.9° | 120.0° |
| C4 | C3 | H3 | 107.9° | 109.4° |
| C3 | C4 | H5 | 119.1° | 120.0° |
| C4 | C5 | C6 | 117.2° | 120.0° |
| C5 | C4 | H5 | 119.0° | 120.0° |
| C4 | C5 | H6 | 121.4° | 120.0° |
| C5 | C6 | C7 | 108.4° | 109.4° |
| C6 | C5 | H6 | 121.4° | 120.0° |
| C5 | C6 | H7 | 109.8° | 109.5° |
| C5 | C6 | H8 | 109.7° | 109.4° |
| C6 | C7 | C8 | 111.0° | 109.5° |
| C7 | C6 | H7 | 109.7° | 109.5° |
| C7 | C6 | H8 | 109.7° | 109.5° |
| C6 | C7 | H9 | 109.1° | 109.5° |
| C6 | C7 | H10 | 109.1° | 109.5° |
| C7 | C8 | C9 | 105.8° | 109.5° |
| C8 | C7 | H9 | 109.1° | 109.5° |
| C8 | C7 | H10 | 109.1° | 109.5° |
| C7 | C8 | H11 | 110.4° | 109.5° |
| C7 | C8 | H12 | 110.4° | 109.5° |
| C8 | C9 | C10 | 107.1° | 109.4° |
| C9 | C8 | H11 | 110.4° | 109.5° |
| C9 | C8 | H12 | 110.4° | 109.5° |
| C8 | C9 | H13 | 110.1° | 109.5° |
| C8 | C9 | H14 | 110.1° | 109.5° |
| C10 | C9 | H13 | 110.1° | 109.5° |
| C10 | C9 | H14 | 110.0° | 109.4° |
| C9 | C10 | H15 | 109.5° | 109.4° |
| C9 | C10 | H16 | 109.5° | 109.4° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H23 | C2P | H24 | 109.5° | 109.5° |
| H26 | C3P | H27 | 109.5° | 109.5° |
| H31 | C5B | H32 | 109.5° | 109.5° |
| H33 | N6A | H34 | 109.4° | 120.0° |
| H35 | C6P | H36 | 109.5° | 109.5° |
| H38 | C7P | H39 | 109.5° | 109.5° |
| H45 | CCP | H46 | 109.5° | 109.5° |
| H47 | CDP | H48 | 109.5° | 109.5° |
| H47 | CDP | H49 | 109.5° | 109.5° |
| H48 | CDP | H49 | 109.5° | 109.5° |
| H50 | CEP | H51 | 109.4° | 109.5° |
| H50 | CEP | H52 | 109.5° | 109.5° |
| H51 | CEP | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5A | P2A | O4A | O6A | 120.6° | 120.0° |
| O5A | P2A | O4A | O3A | 132.3° | 119.9° |
| O5A | P2A | O6A | O3A | 113.7° | 120.0° |
| O5A | P2A | O6A | CCP | 126.2° | 55.0° |
| O5A | P2A | O3A | P1A | 36.3° | 45.0° |
| O5A | P2A | O4A | H28 | 0.0° | 180.0° |
| O9P | C9P | CAP | N8P | 176.9° | 180.0° |
| O9P | C9P | CAP | CBP | 69.1° | 71.8° |
| O9P | C9P | CAP | OAP | 169.6° | 168.3° |
| O9P | C9P | N8P | C7P | 4.4° | 5.1° |
| O9P | C9P | N8P | H41 | 175.7° | 174.9° |
| O9P | C9P | CAP | H43 | 51.0° | 48.2° |
| O2A | P1A | O3A | P2A | 18.4° | 40.0° |
| O2A | P1A | O1A | O3A | 127.9° | 120.0° |
| O2A | P1A | O1A | O5B | 121.1° | 120.0° |
| O2A | P1A | O3A | O5B | 114.1° | 120.0° |
| O2A | P1A | O5B | C5B | 174.7° | 55.0° |
| O2A | P1A | O1A | H18 | 0.0° | 180.0° |
| O4A | P2A | O6A | O3A | 115.2° | 120.0° |
| O4A | P2A | O6A | CCP | 4.9° | 65.0° |
| O4A | P2A | O3A | P1A | 174.0° | 75.0° |
| O6A | P2A | O3A | P1A | 71.5° | 165.0° |
| P2A | O6A | CCP | CBP | 164.0° | 180.0° |
| O6A | P2A | O4A | H28 | 120.6° | 60.0° |
| P2A | O6A | CCP | H45 | 76.5° | 60.0° |
| P2A | O6A | CCP | H46 | 44.6° | 60.0° |
| P2A | O3A | P1A | O1A | 114.4° | 80.0° |
| O3A | P2A | O6A | CCP | 120.1° | 175.0° |
| P2A | O3A | P1A | O5B | 132.5° | 160.0° |
| O3A | P2A | O4A | H28 | 132.3° | 60.0° |
| CDP | CBP | CAP | C9P | 56.9° | 66.0° |
| CDP | CBP | CCP | O6A | 111.7° | 60.0° |
| CDP | CBP | CAP | CCP | 120.9° | 120.0° |
| CDP | CBP | CAP | CEP | 121.5° | 120.0° |
| CDP | CBP | CAP | OAP | 178.3° | 174.1° |
| CDP | CBP | CCP | CEP | 119.7° | 120.0° |
| CDP | CBP | CAP | H43 | 63.2° | 54.0° |
| CDP | CBP | CCP | H45 | 128.9° | 60.0° |
| CDP | CBP | CCP | H46 | 7.8° | 180.0° |
| CBP | CDP | H47 | H48 | 120.0° | 120.0° |
| CBP | CDP | H47 | H49 | 120.0° | 120.0° |
| CBP | CDP | H48 | H49 | 120.0° | 120.0° |
| CDP | CBP | CEP | H50 | 180.0° | 180.0° |
| CDP | CBP | CEP | H51 | 60.0° | 60.0° |
| CDP | CBP | CEP | H52 | 60.0° | 60.0° |
| O1A | P1A | O3A | O5B | 113.2° | 120.0° |
| O1A | P1A | O5B | C5B | 56.7° | 65.0° |
| C9P | CAP | CBP | OAP | 121.4° | 120.0° |
| C9P | CAP | CBP | H43 | 120.1° | 120.0° |
| C9P | CAP | OAP | H43 | 117.6° | 120.1° |
| C9P | CAP | CBP | CCP | 177.8° | 174.0° |
| C9P | CAP | CBP | CEP | 64.6° | 54.0° |
| CAP | C9P | N8P | C7P | 178.8° | 174.9° |
| CAP | C9P | N8P | H41 | 1.2° | 5.1° |
| C9P | CAP | OAP | H44 | 180.0° | 60.0° |
| N8P | C9P | CAP | CBP | 114.0° | 108.2° |
| N8P | C9P | CAP | OAP | 7.2° | 11.7° |
| C9P | N8P | C7P | H41 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 90.4° | 180.0° |
| C9P | N8P | C7P | H38 | 28.9° | 60.0° |
| C9P | N8P | C7P | H39 | 150.3° | 60.0° |
| N8P | C9P | CAP | H43 | 125.9° | 131.8° |
| O6A | CCP | CBP | CAP | 8.9° | 180.0° |
| O6A | CCP | CBP | H45 | 119.5° | 120.0° |
| O6A | CCP | CBP | H46 | 119.5° | 120.0° |
| O6A | CCP | CBP | CEP | 128.7° | 60.0° |
| O6A | CCP | H45 | H46 | 121.6° | 120.0° |
| CBP | CAP | OAP | H43 | 117.4° | 120.0° |
| CAP | CBP | CCP | CEP | 119.8° | 120.0° |
| CBP | CAP | OAP | H44 | 55.0° | 60.0° |
| CAP | CBP | CCP | H45 | 110.6° | 60.0° |
| CAP | CBP | CCP | H46 | 128.4° | 60.0° |
| CAP | CBP | CDP | H47 | 180.0° | 64.4° |
| CAP | CBP | CDP | H48 | 60.0° | 175.6° |
| CAP | CBP | CDP | H49 | 60.0° | 55.6° |
| CAP | CBP | CEP | H50 | 60.6° | 60.0° |
| CAP | CBP | CEP | H51 | 179.4° | 180.0° |
| CAP | CBP | CEP | H52 | 59.4° | 60.0° |
| OAP | CAP | CBP | CCP | 60.8° | 54.1° |
| OAP | CAP | CBP | CEP | 56.8° | 66.0° |
| O3A | P1A | O5B | C5B | 58.2° | 175.0° |
| O3A | P1A | O1A | H18 | 127.9° | 60.0° |
| P1A | O5B | C5B | C4B | 152.0° | 180.0° |
| O5B | P1A | O1A | H18 | 121.1° | 60.0° |
| P1A | O5B | C5B | H31 | 33.0° | 60.1° |
| P1A | O5B | C5B | H32 | 88.9° | 60.0° |
| CCP | CBP | CAP | H43 | 57.7° | 66.0° |
| CBP | CCP | H45 | H46 | 121.5° | 120.0° |
| CCP | CBP | CDP | H47 | 55.9° | 175.6° |
| CCP | CBP | CDP | H48 | 64.1° | 55.6° |
| CCP | CBP | CDP | H49 | 175.9° | 64.4° |
| CCP | CBP | CEP | H50 | 62.2° | 60.0° |
| CCP | CBP | CEP | H51 | 57.8° | 60.0° |
| CCP | CBP | CEP | H52 | 177.8° | 180.0° |
| CEP | CBP | CAP | H43 | 175.3° | 174.0° |
| CEP | CBP | CCP | H45 | 9.2° | 180.0° |
| CEP | CBP | CCP | H46 | 111.8° | 60.0° |
| CEP | CBP | CDP | H47 | 59.9° | 55.6° |
| CEP | CBP | CDP | H48 | 179.9° | 64.4° |
| CEP | CBP | CDP | H49 | 60.1° | 175.6° |
| CBP | CEP | H50 | H51 | 120.0° | 120.0° |
| CBP | CEP | H50 | H52 | 120.0° | 120.0° |
| CBP | CEP | H51 | H52 | 120.0° | 120.0° |
| N8P | C7P | C6P | H38 | 119.3° | 120.0° |
| N8P | C7P | C6P | H39 | 119.3° | 120.0° |
| N8P | C7P | C6P | C5P | 166.8° | 180.0° |
| N8P | C7P | C6P | H35 | 47.8° | 60.0° |
| N8P | C7P | C6P | H36 | 74.2° | 60.0° |
| N8P | C7P | H38 | H39 | 122.0° | 120.0° |
| C7P | C6P | C5P | O5P | 6.6° | 0.0° |
| C7P | C6P | C5P | H35 | 119.0° | 120.0° |
| C7P | C6P | C5P | H36 | 119.0° | 120.0° |
| C7P | C6P | C5P | N4P | 174.5° | 180.0° |
| C7P | C6P | H35 | H36 | 122.8° | 120.0° |
| C6P | C7P | H38 | H39 | 121.9° | 120.0° |
| C6P | C7P | N8P | H41 | 89.6° | 0.0° |
| O5B | C5B | C4B | H31 | 119.0° | 120.0° |
| O5B | C5B | C4B | H32 | 119.0° | 120.0° |
| O5B | C5B | C4B | C3B | 42.1° | 175.0° |
| O5B | C5B | C4B | O4B | 73.6° | 69.6° |
| O5B | C5B | C4B | H29 | 165.8° | 52.7° |
| O5B | C5B | H31 | H32 | 122.8° | 120.1° |
| O5P | C5P | C6P | N4P | 178.8° | 180.0° |
| O5P | C5P | N4P | C3P | 2.4° | 0.0° |
| O5P | C5P | N4P | H30 | 177.6° | 180.0° |
| O5P | C5P | C6P | H35 | 125.6° | 120.0° |
| O5P | C5P | C6P | H36 | 112.4° | 120.0° |
| O8A | P3B | O3B | C3B | 24.9° | 55.0° |
| O8A | P3B | O9A | O3B | 115.0° | 120.0° |
| O8A | P3B | O9A | O7A | 135.8° | 120.0° |
| O8A | P3B | O3B | O7A | 118.6° | 120.0° |
| O8A | P3B | O7A | H37 | 0.0° | 180.0° |
| O8A | P3B | O9A | H42 | 0.0° | 60.0° |
| C6P | C5P | N4P | C3P | 178.9° | 180.0° |
| C6P | C5P | N4P | H30 | 1.1° | 0.0° |
| C5P | C6P | H35 | H36 | 122.9° | 120.0° |
| C5P | C6P | C7P | H38 | 73.8° | 60.0° |
| C5P | C6P | C7P | H39 | 47.5° | 60.0° |
| C5P | N4P | C3P | H30 | 180.0° | 180.0° |
| C5P | N4P | C3P | C2P | 138.2° | 180.0° |
| C5P | N4P | C3P | H26 | 101.7° | 60.0° |
| C5P | N4P | C3P | H27 | 18.1° | 60.0° |
| N4P | C5P | C6P | H35 | 55.5° | 60.0° |
| N4P | C5P | C6P | H36 | 66.5° | 60.0° |
| C5B | C4B | C3B | C2B | 104.1° | 142.8° |
| C5B | C4B | C3B | O3B | 137.8° | 98.5° |
| C5B | C4B | C3B | O4B | 115.4° | 118.9° |
| C5B | C4B | C3B | H29 | 123.8° | 122.3° |
| C5B | C4B | O4B | H29 | 119.8° | 122.3° |
| C5B | C4B | O4B | C1B | 136.5° | 159.4° |
| C5B | C4B | C3B | H25 | 14.2° | 24.1° |
| C4B | C5B | H31 | H32 | 122.8° | 119.9° |
| C2B | C3B | O3B | C4B | 113.2° | 114.7° |
| C2B | C3B | O3B | H25 | 124.0° | 122.6° |
| C2B | C3B | C4B | H25 | 118.3° | 118.7° |
| C3B | C2B | O2B | C1B | 111.6° | 114.6° |
| C3B | C2B | O2B | H21 | 125.0° | 122.7° |
| C3B | C2B | C1B | H21 | 116.6° | 118.7° |
| C2B | C3B | O3B | P3B | 161.7° | 121.4° |
| C2B | C3B | C4B | O4B | 11.3° | 24.0° |
| C3B | C2B | C1B | O4B | 43.6° | 24.0° |
| C3B | C2B | C1B | N9A | 160.0° | 142.8° |
| C3B | C2B | C1B | H19 | 75.5° | 94.9° |
| C3B | C2B | O2B | H22 | 180.0° | 176.1° |
| C2B | C3B | C4B | H29 | 132.1° | 94.9° |
| O3B | C3B | C4B | H25 | 123.6° | 122.6° |
| O3B | C3B | C2B | O2B | 33.4° | 0.0° |
| O3B | C3B | C2B | C1B | 84.0° | 118.7° |
| C3B | O3B | P3B | O9A | 148.0° | 175.0° |
| C3B | O3B | P3B | O7A | 93.7° | 65.0° |
| O3B | C3B | C4B | O4B | 106.8° | 142.6° |
| O3B | C3B | C2B | H21 | 159.0° | 122.6° |
| O3B | C3B | C4B | H29 | 14.0° | 23.8° |
| C4B | C3B | C2B | O2B | 150.3° | 118.7° |
| C4B | C3B | C2B | C1B | 32.9° | 0.0° |
| C4B | C3B | O3B | P3B | 85.1° | 123.9° |
| C3B | C4B | O4B | H29 | 120.0° | 118.8° |
| C3B | C4B | O4B | C1B | 16.2° | 40.5° |
| C4B | C3B | C2B | H21 | 84.1° | 118.6° |
| C3B | C4B | C5B | H31 | 76.9° | 55.0° |
| C3B | C4B | C5B | H32 | 161.1° | 65.0° |
| O2B | C2B | C1B | H21 | 123.9° | 122.5° |
| O2B | C2B | C1B | O4B | 163.1° | 142.8° |
| O2B | C2B | C1B | N9A | 80.6° | 98.4° |
| O2B | C2B | C1B | H19 | 44.0° | 23.9° |
| O2B | C2B | C3B | H25 | 91.4° | 122.5° |
| C2B | C1B | O4B | C4B | 38.2° | 40.6° |
| C2B | C1B | N9A | C8A | 63.4° | 91.9° |
| C2B | C1B | O4B | N9A | 120.1° | 118.8° |
| C2B | C1B | O4B | H19 | 118.4° | 119.0° |
| C2B | C1B | N9A | H19 | 124.4° | 122.4° |
| C2B | C1B | N9A | C4A | 118.6° | 88.2° |
| C1B | C2B | O2B | H22 | 68.4° | 61.5° |
| C1B | C2B | C3B | H25 | 151.2° | 118.9° |
| O9A | P3B | O3B | O7A | 118.3° | 120.0° |
| O9A | P3B | O7A | H37 | 137.2° | 60.0° |
| P3B | O3B | C3B | H25 | 37.7° | 1.1° |
| O3B | P3B | O7A | H37 | 112.2° | 60.0° |
| O3B | P3B | O9A | H42 | 115.0° | 180.0° |
| O7A | P3B | O9A | H42 | 135.9° | 60.0° |
| N4P | C3P | C2P | H26 | 120.1° | 120.0° |
| N4P | C3P | C2P | H27 | 120.1° | 120.0° |
| N4P | C3P | C2P | S1P | 179.9° | 180.0° |
| N4P | C3P | C2P | H23 | 61.0° | 60.0° |
| N4P | C3P | C2P | H24 | 60.9° | 60.0° |
| N4P | C3P | H26 | H27 | 119.8° | 120.0° |
| C4B | O4B | C1B | N9A | 158.4° | 159.3° |
| C4B | O4B | C1B | H19 | 80.2° | 78.4° |
| O4B | C4B | C3B | H25 | 129.7° | 94.8° |
| O4B | C4B | C5B | H31 | 167.4° | 170.4° |
| O4B | C4B | C5B | H32 | 45.4° | 50.4° |
| C3P | C2P | S1P | H23 | 119.0° | 120.0° |
| C3P | C2P | S1P | H24 | 119.0° | 120.0° |
| C3P | C2P | S1P | C1 | 151.1° | 180.0° |
| C3P | C2P | H23 | H24 | 122.8° | 120.0° |
| C2P | C3P | H26 | H27 | 119.8° | 120.0° |
| C2P | C3P | N4P | H30 | 41.8° | 0.1° |
| N7A | C8A | N9A | H40 | 180.0° | 180.0° |
| N7A | C8A | N9A | C1B | 178.6° | 179.9° |
| N7A | C8A | N9A | C4A | 0.4° | 0.0° |
| C8A | N7A | C5A | C4A | 0.4° | 0.0° |
| C8A | N7A | C5A | C6A | 179.8° | 180.0° |
| C8A | N9A | C1B | O4B | 50.4° | 23.5° |
| C8A | N9A | C1B | C4A | 178.0° | 179.9° |
| N9A | C8A | N7A | C5A | 0.0° | 0.0° |
| C8A | N9A | C4A | C5A | 0.7° | 0.0° |
| C8A | N9A | C4A | N3A | 179.8° | 180.0° |
| C8A | N9A | C1B | H19 | 172.2° | 145.7° |
| O4B | C1B | N9A | H19 | 121.8° | 122.3° |
| O4B | C1B | N9A | C4A | 127.6° | 156.4° |
| O4B | C1B | C2B | H21 | 73.0° | 94.7° |
| C1B | O4B | C4B | H29 | 103.7° | 78.3° |
| C1B | N9A | C4A | C5A | 179.0° | 179.9° |
| C1B | N9A | C4A | N3A | 1.9° | 0.1° |
| N9A | C1B | C2B | H21 | 43.3° | 24.1° |
| C1B | N9A | C8A | H40 | 1.4° | 0.0° |
| N7A | C5A | C4A | N9A | 0.7° | 0.0° |
| N7A | C5A | C4A | C6A | 179.9° | 180.0° |
| N7A | C5A | C4A | N3A | 179.9° | 180.0° |
| N7A | C5A | C6A | N6A | 0.2° | 0.0° |
| N7A | C5A | C6A | N1A | 180.0° | 179.9° |
| C5A | N7A | C8A | H40 | 180.0° | 180.0° |
| N9A | C4A | C5A | N3A | 179.2° | 180.0° |
| N9A | C4A | C5A | C6A | 179.5° | 180.0° |
| N9A | C4A | N3A | C2A | 178.9° | 180.0° |
| C4A | N9A | C1B | H19 | 5.7° | 34.1° |
| C4A | N9A | C8A | H40 | 179.6° | 180.0° |
| C2P | S1P | C1 | O1 | 7.2° | 0.0° |
| C2P | S1P | C1 | C2 | 172.1° | 179.7° |
| S1P | C2P | H23 | H24 | 122.8° | 120.0° |
| S1P | C2P | C3P | H26 | 59.9° | 60.0° |
| S1P | C2P | C3P | H27 | 60.0° | 60.0° |
| C4A | C5A | C6A | N6A | 179.6° | 180.0° |
| C4A | C5A | C6A | N1A | 0.2° | 0.1° |
| C5A | C4A | N3A | C2A | 0.1° | 0.0° |
| C6A | C5A | C4A | N3A | 0.2° | 0.0° |
| C5A | C6A | N6A | N1A | 179.8° | 179.9° |
| C5A | C6A | N1A | C2A | 0.1° | 0.0° |
| C5A | C6A | N6A | H33 | 179.8° | 0.1° |
| C5A | C6A | N6A | H34 | 59.8° | 180.0° |
| C4A | N3A | C2A | N1A | 0.4° | 0.0° |
| C4A | N3A | C2A | H20 | 179.5° | 180.0° |
| S1P | C1 | O1 | C2 | 179.3° | 179.8° |
| S1P | C1 | C2 | C3 | 151.4° | 179.8° |
| S1P | C1 | C2 | H1 | 31.6° | 59.8° |
| S1P | C1 | C2 | H2 | 88.8° | 60.3° |
| C1 | S1P | C2P | H23 | 89.9° | 60.0° |
| C1 | S1P | C2P | H24 | 32.1° | 60.0° |
| N6A | C6A | N1A | C2A | 180.0° | 179.9° |
| C6A | N6A | H33 | H34 | 120.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.5° | 0.0° |
| C6A | N1A | C2A | H20 | 179.5° | 180.0° |
| N1A | C6A | N6A | H33 | 0.0° | 180.0° |
| N1A | C6A | N6A | H34 | 120.0° | 0.0° |
| N3A | C2A | N1A | H20 | 180.0° | 179.9° |
| O1 | C1 | C2 | C3 | 29.3° | 0.0° |
| O1 | C1 | C2 | H1 | 149.1° | 120.0° |
| O1 | C1 | C2 | H2 | 90.5° | 120.0° |
| C1 | C2 | C3 | H1 | 119.8° | 120.0° |
| C1 | C2 | C3 | H2 | 119.8° | 120.0° |
| C1 | C2 | C3 | O3 | 108.7° | 65.0° |
| C1 | C2 | C3 | C4 | 128.7° | 175.0° |
| C1 | C2 | H1 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | H3 | 11.0° | 55.0° |
| C2 | C3 | O3 | C4 | 123.6° | 120.0° |
| C2 | C3 | O3 | H3 | 119.2° | 120.1° |
| C2 | C3 | C4 | H3 | 117.6° | 120.0° |
| C2 | C3 | C4 | C5 | 81.1° | 120.0° |
| C3 | C2 | H1 | H2 | 120.5° | 120.0° |
| C2 | C3 | O3 | H4 | 180.0° | 60.0° |
| C2 | C3 | C4 | H5 | 98.9° | 60.0° |
| O3 | C3 | C4 | H3 | 117.4° | 120.0° |
| O3 | C3 | C4 | C5 | 43.9° | 120.0° |
| O3 | C3 | C2 | H1 | 11.1° | 55.0° |
| O3 | C3 | C2 | H2 | 131.4° | 175.0° |
| O3 | C3 | C4 | H5 | 136.0° | 60.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 174.1° | 180.0° |
| C4 | C3 | C2 | H1 | 111.4° | 65.0° |
| C4 | C3 | C2 | H2 | 8.9° | 55.0° |
| C4 | C3 | O3 | H4 | 56.4° | 60.0° |
| C3 | C4 | C5 | H6 | 6.0° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 152.1° | 125.0° |
| C5 | C4 | C3 | H3 | 161.3° | 0.0° |
| C4 | C5 | C6 | H7 | 32.2° | 115.0° |
| C4 | C5 | C6 | H8 | 88.1° | 5.0° |
| C5 | C6 | C7 | H7 | 119.9° | 120.0° |
| C5 | C6 | C7 | H8 | 119.8° | 120.0° |
| C5 | C6 | C7 | C8 | 98.3° | 180.0° |
| C6 | C5 | C4 | H5 | 5.9° | 0.0° |
| C5 | C6 | H7 | H8 | 120.5° | 120.0° |
| C5 | C6 | C7 | H9 | 21.9° | 60.0° |
| C5 | C6 | C7 | H10 | 141.4° | 60.0° |
| C6 | C7 | C8 | H9 | 120.2° | 120.0° |
| C6 | C7 | C8 | H10 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 137.3° | NaN° |
| C7 | C6 | C5 | H6 | 27.9° | 55.0° |
| C7 | C6 | H7 | H8 | 120.5° | 120.0° |
| C6 | C7 | H9 | H10 | 119.3° | 120.0° |
| C6 | C7 | C8 | H11 | 17.9° | 60.0° |
| C6 | C7 | C8 | H12 | 103.3° | 60.0° |
| C7 | C8 | C9 | H11 | 119.4° | 120.0° |
| C7 | C8 | C9 | H12 | 119.4° | 120.0° |
| C7 | C8 | C9 | C10 | 176.6° | 180.0° |
| C8 | C7 | C6 | H7 | 141.8° | 60.0° |
| C8 | C7 | C6 | H8 | 21.5° | 60.1° |
| C8 | C7 | H9 | H10 | 119.3° | 120.0° |
| C7 | C8 | H11 | H12 | 121.7° | 120.0° |
| C7 | C8 | C9 | H13 | 57.0° | 60.0° |
| C7 | C8 | C9 | H14 | 63.8° | 60.1° |
| C8 | C9 | C10 | H13 | 119.6° | 120.0° |
| C8 | C9 | C10 | H14 | 119.6° | 120.0° |
| C9 | C8 | C7 | H9 | 102.5° | 60.0° |
| C9 | C8 | C7 | H10 | 17.1° | 60.0° |
| C9 | C8 | H11 | H12 | 121.7° | 120.0° |
| C8 | C9 | H13 | H14 | 121.1° | 120.0° |
| C8 | C9 | C10 | H15 | 180.0° | 60.0° |
| C8 | C9 | C10 | H16 | 60.0° | 180.0° |
| C8 | C9 | C10 | H17 | 60.0° | 60.0° |
| C10 | C9 | C8 | H11 | 64.0° | 60.0° |
| C10 | C9 | C8 | H12 | 57.2° | 60.0° |
| C10 | C9 | H13 | H14 | 121.1° | 120.0° |
| C9 | C10 | H15 | H16 | 120.0° | 119.9° |
| C9 | C10 | H15 | H17 | 120.0° | 120.0° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| H1 | C2 | C3 | H3 | 130.8° | 175.0° |
| H2 | C2 | C3 | H3 | 108.9° | 64.9° |
| H3 | C3 | O3 | H4 | 60.8° | 179.9° |
| H3 | C3 | C4 | H5 | 18.6° | 180.0° |
| H5 | C4 | C5 | H6 | 174.1° | 180.0° |
| H6 | C5 | C6 | H7 | 147.8° | 65.0° |
| H6 | C5 | C6 | H8 | 91.9° | 175.0° |
| H7 | C6 | C7 | H9 | 98.0° | 180.0° |
| H7 | C6 | C7 | H10 | 21.6° | 60.0° |
| H8 | C6 | C7 | H9 | 141.7° | 59.9° |
| H8 | C6 | C7 | H10 | 98.8° | 179.9° |
| H9 | C7 | C8 | H11 | 138.1° | NaN° |
| H9 | C7 | C8 | H12 | 17.0° | 60.0° |
| H10 | C7 | C8 | H11 | 102.4° | 60.0° |
| H10 | C7 | C8 | H12 | 136.5° | 180.0° |
| H11 | C8 | C9 | H13 | 176.4° | 180.0° |
| H11 | C8 | C9 | H14 | 55.6° | 59.9° |
| H12 | C8 | C9 | H13 | 62.5° | 60.0° |
| H12 | C8 | C9 | H14 | 176.8° | 179.9° |
| H13 | C9 | C10 | H15 | 60.4° | 60.0° |
| H13 | C9 | C10 | H16 | 179.7° | 60.0° |
| H13 | C9 | C10 | H17 | 59.7° | 180.0° |
| H14 | C9 | C10 | H15 | 60.4° | 180.0° |
| H14 | C9 | C10 | H16 | 59.6° | 60.0° |
| H14 | C9 | C10 | H17 | 179.6° | 60.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.1° |
| H19 | C1B | C2B | H21 | 167.9° | 146.4° |
| H21 | C2B | O2B | H22 | 55.0° | 61.1° |
| H21 | C2B | C3B | H25 | 34.3° | 0.2° |
| H23 | C2P | C3P | H26 | 178.9° | 180.0° |
| H23 | C2P | C3P | H27 | 59.1° | 60.0° |
| H24 | C2P | C3P | H26 | 59.1° | 60.1° |
| H24 | C2P | C3P | H27 | 179.0° | 180.0° |
| H25 | C3B | C4B | H29 | 109.5° | 146.4° |
| H26 | C3P | N4P | H30 | 78.3° | 120.0° |
| H27 | C3P | N4P | H30 | 161.9° | 119.9° |
| H29 | C4B | C5B | H31 | 46.8° | 67.3° |
| H29 | C4B | C5B | H32 | 75.2° | 172.7° |
| H35 | C6P | C7P | H38 | 167.1° | 180.0° |
| H35 | C6P | C7P | H39 | 71.5° | 60.1° |
| H36 | C6P | C7P | H38 | 45.2° | 60.0° |
| H36 | C6P | C7P | H39 | 166.5° | 180.0° |
| H38 | C7P | N8P | H41 | 151.1° | 120.0° |
| H39 | C7P | N8P | H41 | 29.8° | 120.0° |
| H43 | CAP | OAP | H44 | 62.4° | 180.0° |
| H47 | CDP | H48 | H49 | 120.0° | 120.0° |
| H50 | CEP | H51 | H52 | 120.0° | 120.0° |
