YAS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | CAF | sing | 1.53Å | 1.53Å | |
| N6A | C6A | sing | 1.38Å | 1.45Å | |
| CAF | CAD | sing | 1.51Å | 1.53Å | |
| S1P | CAD | sing | 1.71Å | 1.82Å | |
| S1P | C2P | sing | 1.81Å | 1.82Å | |
| CAD | OAE | doub | 1.21Å | 1.19Å | |
| C6A | N1A | doub | 1.33Å | 1.33Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.41Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.33Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.35Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.33Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.38Å | Aromatic |
| C2P | C3P | sing | 1.53Å | 1.53Å | |
| C2A | N3A | doub | 1.32Å | 1.33Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.33Å | Aromatic |
| CDP | CBP | sing | 1.53Å | 1.52Å | |
| C4A | N3A | sing | 1.33Å | 1.34Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.33Å | Aromatic |
| C3P | N4P | sing | 1.46Å | 1.46Å | |
| N4P | C5P | sing | 1.35Å | 1.45Å | |
| N9A | C1B | sing | 1.46Å | 1.45Å | |
| C5P | C6P | sing | 1.51Å | 1.53Å | |
| C5P | O5P | doub | 1.21Å | 1.20Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| O2B | C2B | sing | 1.43Å | 1.52Å | |
| O1A | P1A | doub | 1.48Å | 1.51Å | |
| CBP | CEP | sing | 1.53Å | 1.53Å | |
| CBP | CCP | sing | 1.53Å | 1.52Å | |
| CBP | CAP | sing | 1.53Å | 1.54Å | |
| CCP | O6A | sing | 1.43Å | 1.40Å | |
| O2A | P1A | sing | 1.61Å | 1.52Å | |
| C1B | C2B | sing | 1.54Å | 1.31Å | |
| C1B | O4B | sing | 1.44Å | 1.62Å | |
| C2B | C3B | sing | 1.55Å | 1.51Å | |
| N8P | C7P | sing | 1.47Å | 1.46Å | |
| N8P | C9P | sing | 1.35Å | 1.45Å | |
| P1A | O3A | sing | 1.61Å | 1.64Å | |
| P1A | O5B | sing | 1.61Å | 1.65Å | |
| O5A | P2A | doub | 1.48Å | 1.52Å | |
| OAP | CAP | sing | 1.43Å | 1.41Å | |
| CAP | C9P | sing | 1.51Å | 1.53Å | |
| C9P | O9P | doub | 1.21Å | 1.19Å | |
| O4B | C4B | sing | 1.44Å | 1.27Å | |
| O6A | P2A | sing | 1.61Å | 1.64Å | |
| C4B | C3B | sing | 1.54Å | 1.56Å | |
| C4B | C5B | sing | 1.53Å | 1.55Å | |
| O3A | P2A | sing | 1.61Å | 1.64Å | |
| P2A | O4A | sing | 1.61Å | 1.51Å | |
| C3B | O3B | sing | 1.43Å | 1.34Å | |
| O5B | C5B | sing | 1.43Å | 1.40Å | |
| O3B | P3B | sing | 1.61Å | 1.65Å | |
| O8A | P3B | doub | 1.48Å | 1.51Å | |
| P3B | O7A | sing | 1.61Å | 1.51Å | |
| P3B | O9A | sing | 1.61Å | 1.51Å | |
| C1B | H1 | sing | 1.09Å | 1.10Å | |
| C2A | H2 | sing | 1.08Å | 1.08Å | |
| C2B | H3 | sing | 1.09Å | 1.10Å | |
| C2P | H4 | sing | 1.09Å | 1.10Å | |
| C2P | H5 | sing | 1.09Å | 1.10Å | |
| C3B | H6 | sing | 1.09Å | 1.10Å | |
| C3P | H7 | sing | 1.09Å | 1.10Å | |
| C3P | H8 | sing | 1.09Å | 1.10Å | |
| C4B | H9 | sing | 1.09Å | 1.10Å | |
| C5B | H10 | sing | 1.09Å | 1.10Å | |
| C5B | H11 | sing | 1.09Å | 1.10Å | |
| C6P | H12 | sing | 1.09Å | 1.10Å | |
| C6P | H13 | sing | 1.09Å | 1.10Å | |
| C7P | H14 | sing | 1.09Å | 1.10Å | |
| C7P | H15 | sing | 1.09Å | 1.10Å | |
| C8A | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.09Å | 1.10Å | |
| CAF | H18 | sing | 1.09Å | 1.10Å | |
| CAI | H19 | sing | 1.09Å | 1.10Å | |
| CAI | H20 | sing | 1.09Å | 1.10Å | |
| CAI | H21 | sing | 1.09Å | 1.10Å | |
| CAJ | H22 | sing | 1.09Å | 1.10Å | |
| CAJ | H23 | sing | 1.09Å | 1.10Å | |
| CAP | H24 | sing | 1.09Å | 1.10Å | |
| CCP | H25 | sing | 1.09Å | 1.10Å | |
| CCP | H26 | sing | 1.09Å | 1.10Å | |
| CDP | H27 | sing | 1.09Å | 1.10Å | |
| CDP | H28 | sing | 1.09Å | 1.10Å | |
| CDP | H29 | sing | 1.09Å | 1.10Å | |
| CEP | H30 | sing | 1.09Å | 1.10Å | |
| CEP | H31 | sing | 1.09Å | 1.10Å | |
| CEP | H32 | sing | 1.09Å | 1.10Å | |
| N4P | H33 | sing | 0.97Å | 1.00Å | |
| N6A | H34 | sing | 0.97Å | 1.00Å | |
| N6A | H35 | sing | 0.97Å | 1.00Å | |
| N8P | H36 | sing | 0.97Å | 1.00Å | |
| O2A | H37 | sing | 0.97Å | 0.95Å | |
| O2B | H38 | sing | 0.97Å | 0.95Å | |
| O4A | H39 | sing | 0.97Å | 0.95Å | |
| O7A | H40 | sing | 0.97Å | 0.95Å | |
| O9A | H41 | sing | 0.97Å | 0.95Å | |
| OAP | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAJ | CAF | 111.7° | 109.5° |
| CAJ | CAI | H19 | 109.5° | 109.5° |
| CAJ | CAI | H20 | 109.4° | 109.5° |
| CAJ | CAI | H21 | 109.5° | 109.5° |
| CAI | CAJ | H22 | 108.9° | 109.5° |
| CAI | CAJ | H23 | 108.9° | 109.5° |
| CAJ | CAF | CAD | 115.7° | 109.5° |
| CAJ | CAF | H17 | 107.9° | 109.4° |
| CAJ | CAF | H18 | 107.9° | 109.5° |
| CAF | CAJ | H22 | 108.9° | 109.4° |
| CAF | CAJ | H23 | 108.9° | 109.5° |
| N6A | C6A | N1A | 120.4° | 120.8° |
| N6A | C6A | C5A | 121.1° | 120.7° |
| C6A | N6A | H34 | 109.5° | 120.0° |
| C6A | N6A | H35 | 109.5° | 120.0° |
| CAF | CAD | S1P | 119.9° | 120.0° |
| CAF | CAD | OAE | 120.5° | 120.0° |
| CAD | CAF | H17 | 107.9° | 109.5° |
| CAD | CAF | H18 | 107.9° | 109.5° |
| CAD | S1P | C2P | 108.4° | 100.0° |
| S1P | CAD | OAE | 119.6° | 120.0° |
| S1P | C2P | C3P | 108.4° | 109.4° |
| S1P | C2P | H4 | 109.7° | 109.5° |
| S1P | C2P | H5 | 109.8° | 109.5° |
| N1A | C6A | C5A | 118.5° | 118.5° |
| C6A | N1A | C2A | 122.4° | 121.2° |
| C6A | C5A | N7A | 136.5° | 134.7° |
| C6A | C5A | C4A | 116.9° | 118.2° |
| N1A | C2A | N3A | 121.3° | 122.5° |
| N1A | C2A | H2 | 119.3° | 118.7° |
| C5A | N7A | C8A | 108.4° | 109.5° |
| N7A | C5A | C4A | 106.6° | 107.1° |
| N7A | C8A | N9A | 108.6° | 110.0° |
| N7A | C8A | H16 | 125.7° | 125.0° |
| C5A | C4A | N3A | 121.8° | 119.0° |
| C5A | C4A | N9A | 107.2° | 106.0° |
| C2P | C3P | N4P | 111.0° | 109.4° |
| C3P | C2P | H4 | 109.7° | 109.5° |
| C3P | C2P | H5 | 109.7° | 109.4° |
| C2P | C3P | H7 | 109.1° | 109.5° |
| C2P | C3P | H8 | 109.1° | 109.5° |
| C2A | N3A | C4A | 119.1° | 120.7° |
| N3A | C2A | H2 | 119.3° | 118.8° |
| C8A | N9A | C4A | 109.2° | 107.4° |
| C8A | N9A | C1B | 130.6° | 126.3° |
| N9A | C8A | H16 | 125.7° | 125.0° |
| CDP | CBP | CEP | 107.9° | 109.5° |
| CDP | CBP | CCP | 108.9° | 109.5° |
| CDP | CBP | CAP | 113.3° | 109.4° |
| CBP | CDP | H27 | 109.5° | 109.5° |
| CBP | CDP | H28 | 109.5° | 109.5° |
| CBP | CDP | H29 | 109.5° | 109.5° |
| N3A | C4A | N9A | 131.0° | 134.9° |
| C4A | N9A | C1B | 120.1° | 126.3° |
| C3P | N4P | C5P | 120.9° | 120.0° |
| N4P | C3P | H7 | 109.1° | 109.5° |
| N4P | C3P | H8 | 109.1° | 109.5° |
| C3P | N4P | H33 | 119.5° | 120.1° |
| N4P | C5P | C6P | 119.2° | 120.0° |
| N4P | C5P | O5P | 120.9° | 120.0° |
| C5P | N4P | H33 | 119.5° | 120.0° |
| N9A | C1B | C2B | 119.5° | 110.4° |
| N9A | C1B | O4B | 110.3° | 110.4° |
| N9A | C1B | H1 | 106.0° | 110.4° |
| C6P | C5P | O5P | 119.9° | 120.0° |
| C5P | C6P | C7P | 112.1° | 109.5° |
| C5P | C6P | H12 | 108.8° | 109.5° |
| C5P | C6P | H13 | 108.8° | 109.4° |
| C6P | C7P | N8P | 111.6° | 109.5° |
| C7P | C6P | H12 | 108.8° | 109.5° |
| C7P | C6P | H13 | 108.8° | 109.5° |
| C6P | C7P | H14 | 108.9° | 109.5° |
| C6P | C7P | H15 | 109.0° | 109.5° |
| O2B | C2B | C1B | 116.1° | 110.5° |
| O2B | C2B | C3B | 107.7° | 110.5° |
| O2B | C2B | H3 | 109.3° | 110.6° |
| C2B | O2B | H38 | 109.5° | 114.1° |
| O1A | P1A | O2A | 109.7° | 109.4° |
| O1A | P1A | O3A | 108.2° | 109.5° |
| O1A | P1A | O5B | 110.8° | 109.5° |
| CEP | CBP | CCP | 107.3° | 109.5° |
| CEP | CBP | CAP | 112.3° | 109.5° |
| CBP | CEP | H30 | 109.5° | 109.5° |
| CBP | CEP | H31 | 109.5° | 109.5° |
| CBP | CEP | H32 | 109.5° | 109.5° |
| CCP | CBP | CAP | 106.9° | 109.5° |
| CBP | CCP | O6A | 102.4° | 109.4° |
| CBP | CCP | H25 | 111.2° | 109.4° |
| CBP | CCP | H26 | 111.2° | 109.5° |
| CBP | CAP | OAP | 111.3° | 109.5° |
| CBP | CAP | C9P | 113.8° | 109.5° |
| CBP | CAP | H24 | 107.4° | 109.5° |
| CCP | O6A | P2A | 120.1° | 123.0° |
| O6A | CCP | H25 | 111.2° | 109.5° |
| O6A | CCP | H26 | 111.2° | 109.5° |
| O2A | P1A | O3A | 110.3° | 109.4° |
| O2A | P1A | O5B | 111.7° | 109.5° |
| P1A | O2A | H37 | 109.5° | 114.0° |
| C2B | C1B | O4B | 107.9° | 104.8° |
| C1B | C2B | C3B | 101.4° | 104.0° |
| C2B | C1B | H1 | 107.8° | 110.4° |
| C1B | C2B | H3 | 112.5° | 110.5° |
| C1B | O4B | C4B | 100.9° | 105.2° |
| O4B | C1B | H1 | 104.3° | 110.4° |
| C2B | C3B | C4B | 96.3° | 104.1° |
| C2B | C3B | O3B | 105.8° | 110.5° |
| C3B | C2B | H3 | 109.4° | 110.5° |
| C2B | C3B | H6 | 112.1° | 110.5° |
| C7P | N8P | C9P | 117.9° | 120.0° |
| N8P | C7P | H14 | 108.9° | 109.4° |
| N8P | C7P | H15 | 108.9° | 109.5° |
| C7P | N8P | H36 | 121.0° | 120.0° |
| N8P | C9P | CAP | 120.3° | 120.0° |
| N8P | C9P | O9P | 118.8° | 120.0° |
| C9P | N8P | H36 | 121.1° | 120.0° |
| O3A | P1A | O5B | 106.1° | 109.5° |
| P1A | O3A | P2A | 123.0° | 134.0° |
| P1A | O5B | C5B | 121.2° | 123.0° |
| O5A | P2A | O6A | 109.9° | 109.5° |
| O5A | P2A | O3A | 114.6° | 109.5° |
| O5A | P2A | O4A | 108.9° | 109.5° |
| OAP | CAP | C9P | 107.5° | 109.5° |
| OAP | CAP | H24 | 109.1° | 109.5° |
| CAP | OAP | H42 | 109.5° | 114.0° |
| CAP | C9P | O9P | 120.9° | 120.0° |
| C9P | CAP | H24 | 107.6° | 109.5° |
| O4B | C4B | C3B | 99.9° | 104.8° |
| O4B | C4B | C5B | 109.9° | 110.3° |
| O4B | C4B | H9 | 112.6° | 110.5° |
| O6A | P2A | O3A | 102.9° | 109.5° |
| O6A | P2A | O4A | 110.6° | 109.5° |
| C3B | C4B | C5B | 117.7° | 110.3° |
| C4B | C3B | O3B | 114.4° | 110.5° |
| C4B | C3B | H6 | 111.5° | 110.7° |
| C3B | C4B | H9 | 108.3° | 110.4° |
| C4B | C5B | O5B | 105.6° | 109.4° |
| C5B | C4B | H9 | 108.3° | 110.3° |
| C4B | C5B | H10 | 110.4° | 109.5° |
| C4B | C5B | H11 | 110.4° | 109.4° |
| O3A | P2A | O4A | 109.9° | 109.5° |
| P2A | O4A | H39 | 109.5° | 114.0° |
| C3B | O3B | P3B | 120.3° | 123.0° |
| O3B | C3B | H6 | 115.1° | 110.5° |
| O5B | C5B | H10 | 110.4° | 109.4° |
| O5B | C5B | H11 | 110.4° | 109.4° |
| O3B | P3B | O8A | 105.8° | 109.5° |
| O3B | P3B | O7A | 112.2° | 109.5° |
| O3B | P3B | O9A | 108.3° | 109.5° |
| O8A | P3B | O7A | 109.8° | 109.5° |
| O8A | P3B | O9A | 112.0° | 109.5° |
| O7A | P3B | O9A | 108.8° | 109.5° |
| P3B | O7A | H40 | 109.5° | 114.0° |
| P3B | O9A | H41 | 109.5° | 114.0° |
| H4 | C2P | H5 | 109.5° | 109.5° |
| H7 | C3P | H8 | 109.5° | 109.4° |
| H10 | C5B | H11 | 109.5° | 109.6° |
| H12 | C6P | H13 | 109.4° | 109.5° |
| H14 | C7P | H15 | 109.5° | 109.5° |
| H17 | CAF | H18 | 109.5° | 109.4° |
| H19 | CAI | H20 | 109.5° | 109.5° |
| H19 | CAI | H21 | 109.5° | 109.5° |
| H20 | CAI | H21 | 109.5° | 109.5° |
| H22 | CAJ | H23 | 109.5° | 109.4° |
| H25 | CCP | H26 | 109.5° | 109.5° |
| H27 | CDP | H28 | 109.5° | 109.5° |
| H27 | CDP | H29 | 109.5° | 109.5° |
| H28 | CDP | H29 | 109.5° | 109.4° |
| H30 | CEP | H31 | 109.5° | 109.5° |
| H30 | CEP | H32 | 109.5° | 109.4° |
| H31 | CEP | H32 | 109.5° | 109.4° |
| H34 | N6A | H35 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAJ | CAF | H22 | 120.3° | 120.0° |
| CAI | CAJ | CAF | H23 | 120.3° | 120.1° |
| CAI | CAJ | CAF | CAD | 164.5° | 180.0° |
| CAI | CAJ | CAF | H17 | 43.6° | 60.0° |
| CAI | CAJ | CAF | H18 | 74.6° | 59.9° |
| CAJ | CAI | H19 | H20 | 120.0° | 120.0° |
| CAJ | CAI | H19 | H21 | 120.0° | 120.0° |
| CAJ | CAI | H20 | H21 | 120.0° | 120.0° |
| CAI | CAJ | H22 | H23 | 119.0° | 120.0° |
| CAJ | CAF | CAD | H17 | 120.9° | 120.0° |
| CAJ | CAF | CAD | H18 | 120.9° | 120.0° |
| CAJ | CAF | CAD | S1P | 166.6° | 180.0° |
| CAJ | CAF | CAD | OAE | 13.8° | 0.0° |
| CAJ | CAF | H17 | H18 | 117.1° | 119.9° |
| CAF | CAJ | CAI | H19 | 180.0° | 60.0° |
| CAF | CAJ | CAI | H20 | 60.0° | 180.0° |
| CAF | CAJ | CAI | H21 | 60.0° | 60.0° |
| CAF | CAJ | H22 | H23 | 119.0° | 119.9° |
| N6A | C6A | N1A | C5A | 179.9° | 179.5° |
| N6A | C6A | N1A | C2A | 179.9° | 180.0° |
| N6A | C6A | C5A | N7A | 0.1° | 0.4° |
| N6A | C6A | C5A | C4A | 179.9° | 179.8° |
| C6A | N6A | H34 | H35 | 120.0° | 179.9° |
| CAF | CAD | S1P | OAE | 179.7° | 180.0° |
| CAF | CAD | S1P | C2P | 162.1° | 180.0° |
| CAD | CAF | H17 | H18 | 117.2° | 120.0° |
| CAD | CAF | CAJ | H22 | 75.2° | 60.0° |
| CAD | CAF | CAJ | H23 | 44.2° | 60.0° |
| CAD | S1P | C2P | C3P | 66.2° | 180.0° |
| CAD | S1P | C2P | H4 | 53.6° | 60.0° |
| CAD | S1P | C2P | H5 | 174.0° | 60.1° |
| S1P | CAD | CAF | H17 | 45.7° | 60.0° |
| S1P | CAD | CAF | H18 | 72.5° | 60.0° |
| C2P | S1P | CAD | OAE | 17.6° | 0.0° |
| S1P | C2P | C3P | H4 | 119.8° | 120.0° |
| S1P | C2P | C3P | H5 | 119.9° | 120.0° |
| S1P | C2P | C3P | N4P | 64.6° | 180.0° |
| S1P | C2P | H4 | H5 | 120.5° | 120.1° |
| S1P | C2P | C3P | H7 | 55.7° | 60.0° |
| S1P | C2P | C3P | H8 | 175.2° | 60.0° |
| OAE | CAD | CAF | H17 | 134.7° | 120.0° |
| OAE | CAD | CAF | H18 | 107.1° | 120.1° |
| N1A | C6A | C5A | N7A | 180.0° | 179.9° |
| N1A | C6A | C5A | C4A | 0.2° | 0.7° |
| C6A | N1A | C2A | N3A | 0.0° | 0.0° |
| C6A | N1A | C2A | H2 | 180.0° | 179.7° |
| N1A | C6A | N6A | H34 | 0.0° | 0.0° |
| N1A | C6A | N6A | H35 | 120.0° | 180.0° |
| C5A | C6A | N1A | C2A | 0.0° | 0.5° |
| C6A | C5A | N7A | C4A | 179.8° | 179.5° |
| C6A | C5A | N7A | C8A | 179.9° | 179.4° |
| C6A | C5A | C4A | N3A | 0.4° | 0.4° |
| C6A | C5A | C4A | N9A | 178.9° | 179.5° |
| C5A | C6A | N6A | H34 | 179.9° | 179.5° |
| C5A | C6A | N6A | H35 | 59.9° | 0.5° |
| N1A | C2A | N3A | H2 | 180.0° | 179.8° |
| N1A | C2A | N3A | C4A | 0.1° | 0.3° |
| C5A | N7A | C8A | N9A | 1.1° | 0.0° |
| N7A | C5A | C4A | N3A | 179.8° | 180.0° |
| N7A | C5A | C4A | N9A | 0.9° | 0.0° |
| C5A | N7A | C8A | H16 | 179.0° | 180.0° |
| C8A | N7A | C5A | C4A | 0.1° | 0.0° |
| N7A | C8A | N9A | H16 | 180.0° | 180.0° |
| N7A | C8A | N9A | C4A | 1.7° | 0.0° |
| N7A | C8A | N9A | C1B | 177.6° | 180.0° |
| C5A | C4A | N3A | C2A | 0.3° | 0.1° |
| C5A | C4A | N9A | C8A | 1.6° | 0.0° |
| C5A | C4A | N3A | N9A | 179.1° | 179.9° |
| C5A | C4A | N9A | C1B | 178.0° | 180.0° |
| C2P | C3P | N4P | H7 | 120.2° | 120.0° |
| C2P | C3P | N4P | H8 | 120.2° | 120.0° |
| C2P | C3P | N4P | C5P | 79.4° | 180.0° |
| C3P | C2P | H4 | H5 | 120.5° | 120.0° |
| C2P | C3P | H7 | H8 | 119.3° | 120.0° |
| C2P | C3P | N4P | H33 | 100.6° | 0.0° |
| C2A | N3A | C4A | N9A | 178.8° | 180.0° |
| C8A | N9A | C4A | N3A | 179.2° | 180.0° |
| C8A | N9A | C4A | C1B | 176.4° | 180.0° |
| C8A | N9A | C1B | C2B | 88.7° | 99.5° |
| C8A | N9A | C1B | O4B | 37.2° | 15.9° |
| C8A | N9A | C1B | H1 | 149.5° | 138.3° |
| CDP | CBP | CEP | CCP | 117.1° | 120.0° |
| CDP | CBP | CEP | CAP | 125.6° | 120.0° |
| CDP | CBP | CCP | CAP | 122.8° | 120.0° |
| CDP | CBP | CCP | O6A | 178.5° | 60.0° |
| CDP | CBP | CAP | OAP | 62.4° | 54.8° |
| CDP | CBP | CAP | C9P | 59.3° | 174.8° |
| CDP | CBP | CAP | H24 | 178.2° | 65.3° |
| CDP | CBP | CCP | H25 | 62.6° | 180.0° |
| CDP | CBP | CCP | H26 | 59.7° | 60.0° |
| CBP | CDP | H27 | H28 | 120.0° | 120.0° |
| CBP | CDP | H27 | H29 | 120.0° | 120.0° |
| CBP | CDP | H28 | H29 | 120.0° | 120.0° |
| CDP | CBP | CEP | H30 | 180.0° | 54.5° |
| CDP | CBP | CEP | H31 | 60.0° | 65.6° |
| CDP | CBP | CEP | H32 | 60.0° | 174.4° |
| N3A | C4A | N9A | C1B | 2.8° | 0.0° |
| C4A | N3A | C2A | H2 | 179.9° | 180.0° |
| C4A | N9A | C1B | C2B | 95.7° | 80.6° |
| C4A | N9A | C1B | O4B | 138.4° | 164.0° |
| C4A | N9A | C1B | H1 | 26.0° | 41.7° |
| C4A | N9A | C8A | H16 | 178.4° | 180.0° |
| C3P | N4P | C5P | H33 | 180.0° | 180.0° |
| C3P | N4P | C5P | C6P | 179.2° | 180.0° |
| C3P | N4P | C5P | O5P | 0.2° | 0.0° |
| N4P | C3P | C2P | H4 | 175.6° | 60.0° |
| N4P | C3P | C2P | H5 | 55.3° | 60.0° |
| N4P | C3P | H7 | H8 | 119.3° | 120.0° |
| N4P | C5P | C6P | O5P | 179.1° | 179.9° |
| N4P | C5P | C6P | C7P | 83.9° | 180.0° |
| C5P | N4P | C3P | H7 | 160.4° | 60.0° |
| C5P | N4P | C3P | H8 | 40.8° | 60.0° |
| N4P | C5P | C6P | H12 | 155.6° | 60.0° |
| N4P | C5P | C6P | H13 | 36.5° | 60.1° |
| N9A | C1B | C2B | O2B | 31.2° | 23.8° |
| N9A | C1B | C2B | O4B | 127.0° | 118.8° |
| N9A | C1B | C2B | H1 | 120.9° | 122.3° |
| N9A | C1B | O4B | H1 | 113.4° | 122.3° |
| N9A | C1B | C2B | C3B | 147.6° | 94.9° |
| N9A | C1B | O4B | C4B | 115.1° | 78.3° |
| N9A | C1B | C2B | H3 | 95.7° | 146.5° |
| C1B | N9A | C8A | H16 | 2.4° | 0.0° |
| C5P | C6P | C7P | H12 | 120.4° | 120.0° |
| C5P | C6P | C7P | H13 | 120.4° | 119.9° |
| C5P | C6P | C7P | N8P | 174.3° | 180.0° |
| C5P | C6P | H12 | H13 | 118.8° | 120.0° |
| C5P | C6P | C7P | H14 | 54.0° | 60.0° |
| C5P | C6P | C7P | H15 | 65.4° | 60.0° |
| C6P | C5P | N4P | H33 | 0.8° | 0.0° |
| O5P | C5P | C6P | C7P | 95.1° | 0.0° |
| O5P | C5P | C6P | H12 | 25.3° | 120.0° |
| O5P | C5P | C6P | H13 | 144.5° | 120.0° |
| O5P | C5P | N4P | H33 | 179.8° | 180.0° |
| C6P | C7P | N8P | H14 | 120.3° | 120.0° |
| C6P | C7P | N8P | H15 | 120.3° | 120.0° |
| C6P | C7P | N8P | C9P | 88.3° | 180.0° |
| C7P | C6P | H12 | H13 | 118.8° | 120.0° |
| C6P | C7P | H14 | H15 | 119.1° | 120.0° |
| C6P | C7P | N8P | H36 | 91.7° | 0.0° |
| O2B | C2B | C1B | C3B | 116.4° | 118.6° |
| O2B | C2B | C1B | H3 | 126.9° | 122.7° |
| O2B | C2B | C1B | O4B | 95.8° | 142.6° |
| O2B | C2B | C3B | H3 | 118.6° | 122.7° |
| O2B | C2B | C3B | C4B | 77.6° | 118.6° |
| O2B | C2B | C3B | O3B | 40.0° | 0.1° |
| O2B | C2B | C1B | H1 | 152.1° | 98.6° |
| O2B | C2B | C3B | H6 | 166.2° | 122.6° |
| O1A | P1A | O2A | O3A | 119.1° | 120.0° |
| O1A | P1A | O2A | O5B | 123.2° | 120.0° |
| O1A | P1A | O3A | O5B | 118.9° | 120.0° |
| O1A | P1A | O3A | P2A | 126.0° | 44.9° |
| O1A | P1A | O5B | C5B | 152.6° | 54.9° |
| O1A | P1A | O2A | H37 | 0.0° | 180.0° |
| CEP | CBP | CCP | CAP | 120.7° | 120.0° |
| CEP | CBP | CCP | O6A | 65.0° | 60.0° |
| CEP | CBP | CAP | OAP | 175.0° | 174.7° |
| CEP | CBP | CAP | C9P | 63.3° | 65.3° |
| CEP | CBP | CAP | H24 | 55.7° | 54.7° |
| CEP | CBP | CCP | H25 | 53.8° | 60.0° |
| CEP | CBP | CCP | H26 | 176.1° | 180.0° |
| CEP | CBP | CDP | H27 | 180.0° | 64.9° |
| CEP | CBP | CDP | H28 | 60.0° | 175.0° |
| CEP | CBP | CDP | H29 | 60.0° | 55.1° |
| CBP | CEP | H30 | H31 | 120.0° | 120.1° |
| CBP | CEP | H30 | H32 | 120.0° | 120.0° |
| CBP | CEP | H31 | H32 | 120.0° | 120.0° |
| CBP | CCP | O6A | H25 | 118.9° | 119.9° |
| CBP | CCP | O6A | H26 | 118.8° | 120.0° |
| CCP | CBP | CAP | OAP | 57.6° | 65.2° |
| CCP | CBP | CAP | C9P | 179.3° | 54.8° |
| CBP | CCP | O6A | P2A | 171.5° | 180.0° |
| CCP | CBP | CAP | H24 | 61.8° | 174.8° |
| CBP | CCP | H25 | H26 | 123.3° | 120.0° |
| CCP | CBP | CDP | H27 | 63.9° | 55.1° |
| CCP | CBP | CDP | H28 | 56.1° | 64.9° |
| CCP | CBP | CDP | H29 | 176.1° | 175.1° |
| CCP | CBP | CEP | H30 | 62.8° | 65.5° |
| CCP | CBP | CEP | H31 | 177.2° | 174.4° |
| CCP | CBP | CEP | H32 | 57.2° | 54.4° |
| CAP | CBP | CCP | O6A | 55.7° | 180.0° |
| CBP | CAP | C9P | N8P | 103.3° | 70.4° |
| CBP | CAP | OAP | C9P | 125.3° | 120.0° |
| CBP | CAP | OAP | H24 | 118.3° | 120.0° |
| CBP | CAP | C9P | H24 | 118.8° | 120.0° |
| CBP | CAP | C9P | O9P | 77.9° | 109.6° |
| CAP | CBP | CCP | H25 | 174.5° | 60.0° |
| CAP | CBP | CCP | H26 | 63.1° | 60.0° |
| CAP | CBP | CDP | H27 | 55.0° | 175.1° |
| CAP | CBP | CDP | H28 | 175.0° | 55.1° |
| CAP | CBP | CDP | H29 | 65.0° | 64.9° |
| CAP | CBP | CEP | H30 | 54.4° | 174.4° |
| CAP | CBP | CEP | H31 | 65.6° | 54.4° |
| CAP | CBP | CEP | H32 | 174.4° | 65.6° |
| CBP | CAP | OAP | H42 | 180.0° | 60.0° |
| CCP | O6A | P2A | O5A | 63.1° | 55.0° |
| CCP | O6A | P2A | O3A | 59.3° | 175.0° |
| CCP | O6A | P2A | O4A | 176.6° | 65.0° |
| O6A | CCP | H25 | H26 | 123.3° | 120.0° |
| O2A | P1A | O3A | O5B | 121.1° | 120.0° |
| O2A | P1A | O3A | P2A | 6.0° | 75.0° |
| O2A | P1A | O5B | C5B | 30.0° | 65.0° |
| C2B | C1B | O4B | H1 | 114.4° | 118.8° |
| C1B | C2B | C3B | H3 | 119.0° | 118.7° |
| C2B | C1B | O4B | C4B | 17.0° | 40.5° |
| C1B | C2B | C3B | C4B | 44.8° | 0.0° |
| C1B | C2B | C3B | O3B | 162.3° | 118.7° |
| C1B | C2B | C3B | H6 | 71.5° | 118.8° |
| C1B | C2B | O2B | H38 | 180.0° | 61.5° |
| O4B | C1B | C2B | C3B | 20.6° | 24.0° |
| C1B | O4B | C4B | C3B | 44.2° | 40.6° |
| C1B | O4B | C4B | C5B | 168.7° | 159.3° |
| O4B | C1B | C2B | H3 | 137.3° | 94.7° |
| C1B | O4B | C4B | H9 | 70.5° | 78.4° |
| C2B | C3B | C4B | O4B | 58.3° | 24.0° |
| C2B | C3B | C4B | O3B | 110.6° | 118.6° |
| C2B | C3B | C4B | H6 | 116.8° | 118.7° |
| C2B | C3B | C4B | C5B | 177.1° | 142.8° |
| C2B | C3B | O3B | H6 | 124.4° | 122.5° |
| C2B | C3B | O3B | P3B | 135.7° | 121.5° |
| C3B | C2B | C1B | H1 | 91.5° | 142.8° |
| C2B | C3B | C4B | H9 | 59.7° | 95.0° |
| C3B | C2B | O2B | H38 | 67.2° | 176.1° |
| C7P | N8P | C9P | H36 | 180.0° | 180.0° |
| C7P | N8P | C9P | CAP | 179.1° | 174.6° |
| C7P | N8P | C9P | O9P | 0.3° | 5.4° |
| N8P | C7P | C6P | H12 | 65.2° | 60.0° |
| N8P | C7P | C6P | H13 | 53.9° | 60.0° |
| N8P | C7P | H14 | H15 | 119.0° | 120.0° |
| N8P | C9P | CAP | OAP | 20.5° | 169.6° |
| N8P | C9P | CAP | O9P | 178.8° | 180.0° |
| C9P | N8P | C7P | H14 | 151.4° | 60.0° |
| C9P | N8P | C7P | H15 | 32.0° | 60.0° |
| N8P | C9P | CAP | H24 | 137.9° | 49.6° |
| P1A | O3A | P2A | O5A | 3.6° | 40.0° |
| P1A | O3A | P2A | O6A | 122.9° | 160.0° |
| P1A | O3A | P2A | O4A | 119.4° | 80.1° |
| O3A | P1A | O5B | C5B | 90.2° | 175.0° |
| O3A | P1A | O2A | H37 | 119.1° | 60.0° |
| P1A | O5B | C5B | C4B | 83.4° | 180.0° |
| O5B | P1A | O3A | P2A | 115.1° | 165.0° |
| P1A | O5B | C5B | H10 | 36.0° | 60.0° |
| P1A | O5B | C5B | H11 | 157.3° | 60.1° |
| O5B | P1A | O2A | H37 | 123.2° | 60.0° |
| O5A | P2A | O6A | O3A | 122.5° | 120.0° |
| O5A | P2A | O6A | O4A | 120.3° | 120.0° |
| O5A | P2A | O3A | O4A | 123.0° | 120.0° |
| O5A | P2A | O4A | H39 | 0.0° | 180.0° |
| OAP | CAP | C9P | H24 | 117.4° | 120.0° |
| OAP | CAP | C9P | O9P | 158.4° | 10.4° |
| CAP | C9P | N8P | H36 | 0.9° | 5.4° |
| C9P | CAP | OAP | H42 | 54.7° | 60.0° |
| O9P | C9P | CAP | H24 | 41.0° | 130.4° |
| O9P | C9P | N8P | H36 | 179.7° | 174.6° |
| O4B | C4B | C3B | C5B | 118.8° | 118.8° |
| O4B | C4B | C3B | H9 | 118.0° | 119.0° |
| O4B | C4B | C5B | H9 | 123.4° | 122.4° |
| O4B | C4B | C3B | O3B | 168.8° | 142.6° |
| O4B | C4B | C5B | O5B | 129.0° | 69.7° |
| C4B | O4B | C1B | H1 | 131.5° | 159.4° |
| O4B | C4B | C3B | H6 | 58.5° | 94.7° |
| O4B | C4B | C5B | H10 | 9.6° | 50.3° |
| O4B | C4B | C5B | H11 | 111.6° | 170.4° |
| O6A | P2A | O3A | O4A | 117.7° | 120.0° |
| P2A | O6A | CCP | H25 | 52.6° | 60.0° |
| P2A | O6A | CCP | H26 | 69.7° | 60.0° |
| O6A | P2A | O4A | H39 | 120.9° | 60.0° |
| C3B | C4B | C5B | H9 | 123.1° | 122.3° |
| C4B | C3B | O3B | H6 | 130.9° | 122.8° |
| C3B | C4B | C5B | O5B | 117.6° | 175.0° |
| C4B | C3B | O3B | P3B | 119.6° | 123.9° |
| C4B | C3B | C2B | H3 | 163.8° | 118.7° |
| C3B | C4B | C5B | H10 | 123.0° | 65.0° |
| C3B | C4B | C5B | H11 | 1.8° | 55.0° |
| C5B | C4B | C3B | O3B | 72.3° | 98.6° |
| C4B | C5B | O5B | H10 | 119.4° | 120.0° |
| C4B | C5B | O5B | H11 | 119.4° | 119.9° |
| C5B | C4B | C3B | H6 | 60.3° | 24.1° |
| C4B | C5B | H10 | H11 | 121.8° | 120.0° |
| O3A | P2A | O4A | H39 | 126.3° | 60.0° |
| C3B | O3B | P3B | O8A | 175.7° | 55.0° |
| C3B | O3B | P3B | O7A | 64.6° | 65.0° |
| C3B | O3B | P3B | O9A | 55.5° | 175.0° |
| O3B | C3B | C2B | H3 | 78.7° | 122.7° |
| O3B | C3B | C4B | H9 | 50.8° | 23.6° |
| O5B | C5B | C4B | H9 | 5.6° | 52.7° |
| O5B | C5B | H10 | H11 | 121.8° | 120.0° |
| O3B | P3B | O8A | O7A | 121.2° | 120.0° |
| O3B | P3B | O8A | O9A | 117.7° | 120.0° |
| O3B | P3B | O7A | O9A | 119.8° | 120.0° |
| P3B | O3B | C3B | H6 | 11.3° | 1.1° |
| O3B | P3B | O7A | H40 | 117.3° | 60.0° |
| O3B | P3B | O9A | H41 | 116.2° | 180.0° |
| O8A | P3B | O7A | O9A | 122.9° | 120.0° |
| O8A | P3B | O7A | H40 | 0.0° | 179.9° |
| O8A | P3B | O9A | H41 | 0.0° | 60.0° |
| O7A | P3B | O9A | H41 | 121.6° | 60.0° |
| O9A | P3B | O7A | H40 | 122.9° | 60.0° |
| H1 | C1B | C2B | H3 | 25.2° | 24.2° |
| H3 | C2B | C3B | H6 | 47.6° | 0.2° |
| H3 | C2B | O2B | H38 | 51.5° | 61.2° |
| H4 | C2P | C3P | H7 | 64.1° | 60.0° |
| H4 | C2P | C3P | H8 | 55.4° | 179.9° |
| H5 | C2P | C3P | H7 | 175.5° | 180.0° |
| H5 | C2P | C3P | H8 | 64.9° | 60.0° |
| H6 | C3B | C4B | H9 | 176.5° | 146.3° |
| H7 | C3P | N4P | H33 | 19.6° | 120.0° |
| H8 | C3P | N4P | H33 | 139.2° | 120.0° |
| H9 | C4B | C5B | H10 | 113.8° | 172.7° |
| H9 | C4B | C5B | H11 | 125.0° | 67.2° |
| H12 | C6P | C7P | H14 | 174.4° | 180.0° |
| H12 | C6P | C7P | H15 | 55.1° | 60.0° |
| H13 | C6P | C7P | H14 | 66.4° | 59.9° |
| H13 | C6P | C7P | H15 | 174.2° | 179.9° |
| H14 | C7P | N8P | H36 | 28.6° | 120.0° |
| H15 | C7P | N8P | H36 | 148.0° | 120.0° |
| H17 | CAF | CAJ | H22 | 163.9° | 180.0° |
| H17 | CAF | CAJ | H23 | 76.7° | 60.1° |
| H18 | CAF | CAJ | H22 | 45.8° | 60.1° |
| H18 | CAF | CAJ | H23 | 165.1° | NaN° |
| H19 | CAI | H20 | H21 | 120.0° | 120.0° |
| H19 | CAI | CAJ | H22 | 59.7° | 60.0° |
| H19 | CAI | CAJ | H23 | 59.7° | 180.0° |
| H20 | CAI | CAJ | H22 | 60.4° | 60.0° |
| H20 | CAI | CAJ | H23 | 179.7° | 60.0° |
| H21 | CAI | CAJ | H22 | 179.7° | 180.0° |
| H21 | CAI | CAJ | H23 | 60.4° | 60.0° |
| H24 | CAP | OAP | H42 | 61.7° | 180.0° |
| H27 | CDP | H28 | H29 | 120.0° | 120.0° |
| H30 | CEP | H31 | H32 | 120.0° | 119.9° |
