TOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C6' | sing | 1.37Å | 1.34Å | |
| N1' | C2' | sing | 1.35Å | 1.34Å | |
| C2A | C2' | sing | 1.51Å | 1.51Å | |
| C6' | C5' | doub | 1.35Å | 1.39Å | |
| C2' | N3' | doub | 1.30Å | 1.35Å | |
| C4A | C4 | sing | 1.51Å | 1.51Å | |
| C5' | C35 | sing | 1.51Å | 1.52Å | |
| C5' | C4' | sing | 1.47Å | 1.49Å | |
| N3' | C4' | sing | 1.36Å | 1.35Å | |
| C35 | N3 | sing | 1.46Å | 1.47Å | |
| C4 | N3 | sing | 1.32Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.34Å | 1.35Å | Aromatic |
| C4' | N4' | doub | 1.32Å | 1.35Å | |
| C5A | C5 | sing | 1.51Å | 1.52Å | |
| C5A | C5B | sing | 1.53Å | 1.53Å | |
| N3 | C2 | doub | 1.29Å | 1.38Å | Aromatic |
| O13 | P1 | doub | 1.48Å | 1.51Å | |
| O1I | CI | doub | 1.21Å | 1.25Å | |
| O5G | C5B | sing | 1.43Å | 1.43Å | |
| O5G | P1 | sing | 1.61Å | 1.62Å | |
| C5 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| O12 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O11 | sing | 1.61Å | 1.62Å | |
| CI | O2I | sing | 1.34Å | 1.25Å | |
| CI | C1I | sing | 1.51Å | 1.51Å | |
| C2 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C2 | C21 | sing | 1.51Å | 1.52Å | |
| O21 | P2 | doub | 1.48Å | 1.51Å | |
| O5 | C21 | sing | 1.43Å | 1.43Å | |
| C2I | C21 | sing | 1.53Å | 1.54Å | |
| C2I | C1I | sing | 1.53Å | 1.54Å | |
| C2I | C3I | sing | 1.50Å | 1.52Å | |
| C21 | C3 | sing | 1.53Å | 1.53Å | |
| O11 | P2 | sing | 1.61Å | 1.62Å | |
| C1I | C6I | sing | 1.53Å | 1.53Å | |
| C3I | C4I | doub | 1.29Å | 1.33Å | |
| P2 | O23 | sing | 1.61Å | 1.51Å | |
| P2 | O22 | sing | 1.61Å | 1.51Å | |
| C6I | O3I | sing | 1.43Å | 1.43Å | |
| C6I | C5I | sing | 1.53Å | 1.52Å | |
| C4I | C5I | sing | 1.50Å | 1.50Å | |
| C3 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C51 | sing | 1.51Å | 1.52Å | |
| C5I | O3P | sing | 1.43Å | 1.43Å | |
| O3P | C2P | sing | 1.36Å | 1.46Å | |
| C51 | O3 | doub | 1.21Å | 1.25Å | |
| C51 | O4 | sing | 1.34Å | 1.25Å | |
| C2P | C3P | doub | 1.33Å | 1.32Å | |
| C2P | C1P | sing | 1.47Å | 1.50Å | |
| O1P | C1P | doub | 1.22Å | 1.25Å | |
| C1P | O2P | sing | 1.35Å | 1.25Å | |
| O2P | H1 | sing | 0.97Å | 0.95Å | |
| C3P | H2 | sing | 1.08Å | 1.08Å | |
| C3P | H3 | sing | 1.08Å | 1.08Å | |
| C5I | H4 | sing | 1.09Å | 1.10Å | |
| C6I | H5 | sing | 1.09Å | 1.10Å | |
| O3I | H6 | sing | 0.97Å | 0.95Å | |
| C1I | H7 | sing | 1.09Å | 1.10Å | |
| O2I | H8 | sing | 0.97Å | 0.95Å | |
| C4I | H9 | sing | 1.08Å | 1.08Å | |
| C3I | H11 | sing | 1.08Å | 1.08Å | |
| C2I | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| N4' | H22 | sing | 0.97Å | 1.00Å | |
| C2A | H24 | sing | 1.09Å | 1.10Å | |
| C2A | H25 | sing | 1.09Å | 1.10Å | |
| C2A | H26 | sing | 1.09Å | 1.10Å | |
| C6' | H27 | sing | 1.08Å | 1.08Å | |
| C4A | H28 | sing | 1.09Å | 1.10Å | |
| C4A | H29 | sing | 1.09Å | 1.10Å | |
| C4A | H30 | sing | 1.09Å | 1.10Å | |
| C5A | H31 | sing | 1.09Å | 1.10Å | |
| C5A | H32 | sing | 1.09Å | 1.10Å | |
| C5B | H33 | sing | 1.09Å | 1.10Å | |
| C5B | H34 | sing | 1.09Å | 1.10Å | |
| O12 | H35 | sing | 0.97Å | 0.95Å | |
| O23 | H36 | sing | 0.97Å | 0.95Å | |
| O22 | H37 | sing | 0.97Å | 0.95Å | |
| N1' | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6' | N1' | C2' | 122.5° | 120.8° |
| N1' | C6' | C5' | 119.8° | 118.7° |
| N1' | C6' | H27 | 120.1° | 120.7° |
| C6' | N1' | H10 | 118.8° | 119.6° |
| N1' | C2' | C2A | 119.7° | 119.3° |
| N1' | C2' | N3' | 121.4° | 121.5° |
| C2' | N1' | H10 | 118.7° | 119.6° |
| C2A | C2' | N3' | 118.9° | 119.2° |
| C2' | C2A | H24 | 109.5° | 109.5° |
| C2' | C2A | H25 | 109.4° | 109.5° |
| C2' | C2A | H26 | 109.5° | 109.5° |
| C6' | C5' | C35 | 120.1° | 121.2° |
| C6' | C5' | C4' | 117.1° | 117.6° |
| C5' | C6' | H27 | 120.1° | 120.6° |
| C2' | N3' | C4' | 120.5° | 120.0° |
| C4A | C4 | N3 | 125.3° | 122.7° |
| C4A | C4 | C5 | 123.6° | 122.8° |
| C4 | C4A | H28 | 109.5° | 109.5° |
| C4 | C4A | H29 | 109.5° | 109.4° |
| C4 | C4A | H30 | 109.4° | 109.5° |
| C35 | C5' | C4' | 122.8° | 121.2° |
| C5' | C35 | N3 | 113.2° | 109.5° |
| C5' | C35 | H20 | 108.5° | 109.5° |
| C5' | C35 | H21 | 108.5° | 109.4° |
| C5' | C4' | N3' | 118.7° | 118.3° |
| C5' | C4' | N4' | 121.8° | 120.8° |
| N3' | C4' | N4' | 119.5° | 120.9° |
| C35 | N3 | C4 | 120.7° | 121.5° |
| C35 | N3 | C2 | 123.5° | 121.5° |
| N3 | C35 | H20 | 108.5° | 109.5° |
| N3 | C35 | H21 | 108.5° | 109.5° |
| N3 | C4 | C5 | 111.1° | 114.5° |
| C4 | N3 | C2 | 115.8° | 117.1° |
| C4 | C5 | C5A | 124.6° | 126.0° |
| C4 | C5 | S1 | 111.9° | 107.9° |
| C4' | N4' | H22 | 112.0° | 120.0° |
| C5 | C5A | C5B | 112.4° | 109.4° |
| C5A | C5 | S1 | 123.4° | 126.1° |
| C5 | C5A | H31 | 108.7° | 109.4° |
| C5 | C5A | H32 | 108.7° | 109.5° |
| C5A | C5B | O5G | 109.6° | 109.4° |
| C5B | C5A | H31 | 108.8° | 109.5° |
| C5B | C5A | H32 | 108.7° | 109.4° |
| C5A | C5B | H33 | 109.4° | 109.4° |
| C5A | C5B | H34 | 109.4° | 109.5° |
| N3 | C2 | S1 | 108.4° | 110.2° |
| N3 | C2 | C21 | 129.0° | 124.9° |
| O13 | P1 | O5G | 108.3° | 109.5° |
| O13 | P1 | O12 | 118.4° | 109.5° |
| O13 | P1 | O11 | 109.7° | 109.4° |
| O1I | CI | O2I | 121.9° | 120.0° |
| O1I | CI | C1I | 119.9° | 120.0° |
| C5B | O5G | P1 | 121.8° | 123.0° |
| O5G | C5B | H33 | 109.4° | 109.5° |
| O5G | C5B | H34 | 109.4° | 109.5° |
| O5G | P1 | O12 | 107.6° | 109.5° |
| O5G | P1 | O11 | 104.7° | 109.5° |
| C5 | S1 | C2 | 92.7° | 90.3° |
| O12 | P1 | O11 | 107.3° | 109.5° |
| P1 | O12 | H35 | 109.5° | 114.0° |
| P1 | O11 | P2 | 125.9° | 134.0° |
| O2I | CI | C1I | 118.2° | 120.0° |
| CI | O2I | H8 | 109.5° | 117.0° |
| CI | C1I | C2I | 110.8° | 109.8° |
| CI | C1I | C6I | 105.7° | 109.6° |
| CI | C1I | H7 | 107.6° | 109.6° |
| S1 | C2 | C21 | 118.4° | 124.9° |
| C2 | C21 | O5 | 110.3° | 109.5° |
| C2 | C21 | C2I | 111.4° | 109.5° |
| C2 | C21 | C3 | 109.7° | 109.5° |
| O21 | P2 | O11 | 106.6° | 109.5° |
| O21 | P2 | O23 | 113.4° | 109.4° |
| O21 | P2 | O22 | 114.2° | 109.5° |
| O5 | C21 | C2I | 107.2° | 109.5° |
| O5 | C21 | C3 | 107.3° | 109.4° |
| C21 | O5 | H19 | 109.5° | 114.0° |
| C21 | C2I | C1I | 111.2° | 109.4° |
| C21 | C2I | C3I | 109.2° | 109.4° |
| C2I | C21 | C3 | 110.9° | 109.4° |
| C21 | C2I | H13 | 107.3° | 109.3° |
| C1I | C2I | C3I | 114.1° | 110.2° |
| C2I | C1I | C6I | 117.8° | 108.5° |
| C2I | C1I | H7 | 107.2° | 109.7° |
| C1I | C2I | H13 | 107.2° | 109.4° |
| C2I | C3I | C4I | 122.5° | 124.2° |
| C2I | C3I | H11 | 118.7° | 117.9° |
| C3I | C2I | H13 | 107.5° | 109.2° |
| C21 | C3 | C41 | 112.1° | 109.5° |
| C21 | C3 | H14 | 108.8° | 109.5° |
| C21 | C3 | H15 | 108.8° | 109.5° |
| O11 | P2 | O23 | 104.9° | 109.5° |
| O11 | P2 | O22 | 102.6° | 109.5° |
| C1I | C6I | O3I | 109.0° | 109.6° |
| C1I | C6I | C5I | 115.1° | 108.4° |
| C1I | C6I | H5 | 107.4° | 109.8° |
| C6I | C1I | H7 | 107.3° | 109.6° |
| C3I | C4I | C5I | 119.2° | 124.1° |
| C3I | C4I | H9 | 120.4° | 118.0° |
| C4I | C3I | H11 | 118.8° | 117.9° |
| O23 | P2 | O22 | 113.7° | 109.5° |
| P2 | O23 | H36 | 109.5° | 114.0° |
| P2 | O22 | H37 | 109.5° | 114.0° |
| O3I | C6I | C5I | 109.0° | 109.7° |
| O3I | C6I | H5 | 108.6° | 109.7° |
| C6I | O3I | H6 | 109.5° | 114.0° |
| C6I | C5I | C4I | 107.3° | 110.0° |
| C6I | C5I | O3P | 106.8° | 109.3° |
| C6I | C5I | H4 | 110.5° | 109.4° |
| C5I | C6I | H5 | 107.6° | 109.7° |
| C4I | C5I | O3P | 109.5° | 109.3° |
| C4I | C5I | H4 | 110.7° | 109.4° |
| C5I | C4I | H9 | 120.4° | 117.9° |
| C3 | C41 | C51 | 112.1° | 109.5° |
| C41 | C3 | H14 | 108.8° | 109.5° |
| C41 | C3 | H15 | 108.8° | 109.4° |
| C3 | C41 | H16 | 108.8° | 109.5° |
| C3 | C41 | H17 | 108.8° | 109.5° |
| C41 | C51 | O3 | 119.1° | 120.0° |
| C41 | C51 | O4 | 118.8° | 120.0° |
| C51 | C41 | H16 | 108.8° | 109.5° |
| C51 | C41 | H17 | 108.8° | 109.4° |
| C5I | O3P | C2P | 115.3° | 117.0° |
| O3P | C5I | H4 | 111.9° | 109.4° |
| O3P | C2P | C3P | 121.2° | 120.0° |
| O3P | C2P | C1P | 118.3° | 120.0° |
| O3 | C51 | O4 | 122.1° | 120.0° |
| C51 | O4 | H18 | 109.5° | 117.0° |
| C3P | C2P | C1P | 120.5° | 120.0° |
| C2P | C3P | H2 | 120.0° | 120.0° |
| C2P | C3P | H3 | 120.0° | 119.9° |
| C2P | C1P | O1P | 118.4° | 120.0° |
| C2P | C1P | O2P | 119.7° | 120.0° |
| O1P | C1P | O2P | 121.9° | 120.0° |
| C1P | O2P | H1 | 109.5° | 117.0° |
| H2 | C3P | H3 | 120.0° | 120.1° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H16 | C41 | H17 | 109.5° | 109.4° |
| H20 | C35 | H21 | 109.5° | 109.5° |
| H24 | C2A | H25 | 109.5° | 109.4° |
| H24 | C2A | H26 | 109.5° | 109.5° |
| H25 | C2A | H26 | 109.5° | 109.5° |
| H28 | C4A | H29 | 109.5° | 109.5° |
| H28 | C4A | H30 | 109.5° | 109.5° |
| H29 | C4A | H30 | 109.4° | 109.5° |
| H31 | C5A | H32 | 109.5° | 109.5° |
| H33 | C5B | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6' | N1' | C2' | H10 | 180.0° | 179.4° |
| C6' | N1' | C2' | C2A | 179.9° | 164.7° |
| N1' | C6' | C5' | H27 | 180.0° | 179.4° |
| C6' | N1' | C2' | N3' | 0.1° | 15.3° |
| N1' | C6' | C5' | C35 | 179.5° | 179.6° |
| N1' | C6' | C5' | C4' | 0.9° | 0.8° |
| N1' | C2' | C2A | N3' | 179.9° | 180.0° |
| C2' | N1' | C6' | C5' | 0.5° | 14.9° |
| N1' | C2' | N3' | C4' | 0.2° | 0.3° |
| N1' | C2' | C2A | H24 | 180.0° | 180.0° |
| N1' | C2' | C2A | H25 | 59.9° | 60.0° |
| N1' | C2' | C2A | H26 | 60.0° | 60.0° |
| C2' | N1' | C6' | H27 | 179.5° | 165.8° |
| C2A | C2' | N3' | C4' | 179.9° | 179.7° |
| C2' | C2A | H24 | H25 | 120.0° | 120.0° |
| C2' | C2A | H24 | H26 | 120.0° | 120.1° |
| C2' | C2A | H25 | H26 | 120.0° | 120.0° |
| C2A | C2' | N1' | H10 | 0.1° | 14.7° |
| C6' | C5' | C35 | C4' | 178.6° | 179.6° |
| C6' | C5' | C4' | N3' | 0.9° | 13.3° |
| C6' | C5' | C35 | N3 | 117.9° | 98.1° |
| C6' | C5' | C4' | N4' | 179.6° | 166.7° |
| C6' | C5' | C35 | H20 | 121.6° | 22.0° |
| C6' | C5' | C35 | H21 | 2.6° | 141.9° |
| C5' | C6' | N1' | H10 | 179.5° | 165.7° |
| C2' | N3' | C4' | C5' | 0.5° | 13.6° |
| C2' | N3' | C4' | N4' | 180.0° | 166.4° |
| N3' | C2' | C2A | H24 | 0.0° | 0.0° |
| N3' | C2' | C2A | H25 | 120.0° | 120.0° |
| N3' | C2' | C2A | H26 | 120.0° | 120.0° |
| N3' | C2' | N1' | H10 | 179.9° | 165.3° |
| C4A | C4 | N3 | C35 | 0.4° | 0.0° |
| C4A | C4 | N3 | C5 | 179.4° | 179.7° |
| C4A | C4 | C5 | C5A | 1.0° | 0.4° |
| C4A | C4 | N3 | C2 | 179.5° | 180.0° |
| C4A | C4 | C5 | S1 | 179.9° | 179.9° |
| C4 | C4A | H28 | H29 | 120.0° | 120.0° |
| C4 | C4A | H28 | H30 | 120.0° | 120.0° |
| C4 | C4A | H29 | H30 | 119.9° | 120.0° |
| C35 | C5' | C4' | N3' | 179.5° | 166.4° |
| C5' | C35 | N3 | H20 | 120.5° | 120.0° |
| C5' | C35 | N3 | H21 | 120.5° | 119.9° |
| C5' | C35 | N3 | C4 | 76.4° | 98.0° |
| C35 | C5' | C4' | N4' | 1.0° | 13.7° |
| C5' | C35 | N3 | C2 | 104.6° | 82.1° |
| C5' | C35 | H20 | H21 | 118.3° | 119.9° |
| C35 | C5' | C6' | H27 | 0.5° | 0.2° |
| C5' | C4' | N3' | N4' | 179.5° | 180.0° |
| C4' | C5' | C35 | N3 | 63.5° | 81.6° |
| C4' | C5' | C35 | H20 | 57.0° | 158.4° |
| C4' | C5' | C35 | H21 | 176.0° | 38.4° |
| C5' | C4' | N4' | H22 | 179.5° | 174.9° |
| C4' | C5' | C6' | H27 | 179.1° | 179.9° |
| N3' | C4' | N4' | H22 | 0.0° | 5.0° |
| C35 | N3 | C4 | C2 | 179.1° | 179.9° |
| C35 | N3 | C4 | C5 | 179.9° | 179.6° |
| C35 | N3 | C2 | S1 | 180.0° | 180.0° |
| C35 | N3 | C2 | C21 | 23.7° | 0.4° |
| N3 | C35 | H20 | H21 | 118.3° | 120.1° |
| N3 | C4 | C5 | C5A | 179.6° | 180.0° |
| N3 | C4 | C5 | S1 | 0.7° | 0.5° |
| C4 | N3 | C2 | S1 | 0.9° | 0.1° |
| C4 | N3 | C2 | C21 | 155.3° | 179.7° |
| C4 | N3 | C35 | H20 | 163.0° | 142.0° |
| C4 | N3 | C35 | H21 | 44.1° | 22.0° |
| N3 | C4 | C4A | H28 | 89.7° | 100.2° |
| N3 | C4 | C4A | H29 | 150.3° | 139.8° |
| N3 | C4 | C4A | H30 | 30.4° | 19.8° |
| C4 | C5 | C5A | S1 | 178.8° | 179.4° |
| C4 | C5 | C5A | C5B | 120.0° | 90.0° |
| C5 | C4 | N3 | C2 | 1.1° | 0.3° |
| C4 | C5 | S1 | C2 | 0.1° | 0.4° |
| C5 | C4 | C4A | H28 | 89.7° | 79.4° |
| C5 | C4 | C4A | H29 | 30.3° | 40.6° |
| C5 | C4 | C4A | H30 | 150.3° | 160.6° |
| C4 | C5 | C5A | H31 | 119.5° | 150.0° |
| C4 | C5 | C5A | H32 | 0.4° | 30.0° |
| C5 | C5A | C5B | H31 | 120.4° | 119.9° |
| C5 | C5A | C5B | H32 | 120.4° | 120.0° |
| C5 | C5A | C5B | O5G | 178.7° | 180.0° |
| C5A | C5 | S1 | C2 | 179.1° | 179.9° |
| C5 | C5A | H31 | H32 | 118.6° | 120.1° |
| C5 | C5A | C5B | H33 | 61.3° | 60.0° |
| C5 | C5A | C5B | H34 | 58.6° | 60.0° |
| C5A | C5B | O5G | H33 | 120.0° | 120.0° |
| C5A | C5B | O5G | H34 | 120.0° | 120.0° |
| C5A | C5B | O5G | P1 | 174.4° | 180.0° |
| C5B | C5A | C5 | S1 | 61.2° | 90.6° |
| C5B | C5A | H31 | H32 | 118.7° | 120.0° |
| C5A | C5B | H33 | H34 | 119.9° | 120.0° |
| N3 | C2 | S1 | C5 | 0.5° | 0.3° |
| N3 | C2 | S1 | C21 | 159.2° | 179.7° |
| N3 | C2 | C21 | O5 | 53.6° | 62.7° |
| N3 | C2 | C21 | C2I | 65.3° | 177.2° |
| N3 | C2 | C21 | C3 | 171.6° | 57.2° |
| C2 | N3 | C35 | H20 | 16.0° | 37.9° |
| C2 | N3 | C35 | H21 | 134.9° | 157.9° |
| O13 | P1 | O5G | C5B | 171.0° | 55.1° |
| O13 | P1 | O5G | O12 | 129.0° | 120.0° |
| O13 | P1 | O5G | O11 | 117.0° | 119.9° |
| O13 | P1 | O12 | O11 | 124.8° | 120.0° |
| O13 | P1 | O11 | P2 | 44.4° | 45.0° |
| O13 | P1 | O12 | H35 | 0.0° | 180.0° |
| O1I | CI | O2I | C1I | 180.0° | 179.9° |
| O1I | CI | C1I | C2I | 14.8° | 28.0° |
| O1I | CI | C1I | C6I | 143.5° | 91.0° |
| O1I | CI | C1I | H7 | 102.1° | 148.6° |
| O1I | CI | O2I | H8 | 0.0° | 0.0° |
| C5B | O5G | P1 | O12 | 42.0° | 64.9° |
| C5B | O5G | P1 | O11 | 72.0° | 175.0° |
| O5G | C5B | C5A | H31 | 58.2° | 60.0° |
| O5G | C5B | C5A | H32 | 60.9° | 60.0° |
| O5G | C5B | H33 | H34 | 120.0° | 120.1° |
| O5G | P1 | O12 | O11 | 112.2° | 120.0° |
| O5G | P1 | O11 | P2 | 71.7° | 165.0° |
| P1 | O5G | C5B | H33 | 65.6° | 60.1° |
| P1 | O5G | C5B | H34 | 54.4° | 60.0° |
| O5G | P1 | O12 | H35 | 123.0° | 60.0° |
| C5 | S1 | C2 | C21 | 158.7° | 179.9° |
| S1 | C5 | C5A | H31 | 59.3° | 29.4° |
| S1 | C5 | C5A | H32 | 178.4° | 149.4° |
| O12 | P1 | O11 | P2 | 174.2° | 75.0° |
| P1 | O11 | P2 | O21 | 16.5° | 45.0° |
| P1 | O11 | P2 | O23 | 104.1° | 75.0° |
| P1 | O11 | P2 | O22 | 136.9° | 165.0° |
| O11 | P1 | O12 | H35 | 124.8° | 60.0° |
| O2I | CI | C1I | C2I | 165.2° | 152.0° |
| O2I | CI | C1I | C6I | 36.5° | 88.9° |
| O2I | CI | C1I | H7 | 77.9° | 31.5° |
| CI | C1I | C2I | C21 | 112.1° | 70.5° |
| CI | C1I | C2I | C6I | 121.8° | 119.8° |
| CI | C1I | C2I | H7 | 117.2° | 120.5° |
| CI | C1I | C2I | C3I | 123.8° | 169.2° |
| CI | C1I | C6I | H7 | 114.6° | 120.4° |
| CI | C1I | C6I | O3I | 85.6° | 53.0° |
| CI | C1I | C6I | C5I | 151.6° | 172.7° |
| CI | C1I | C6I | H5 | 31.9° | 67.6° |
| C1I | CI | O2I | H8 | 180.0° | 180.0° |
| CI | C1I | C2I | H13 | 4.9° | 49.1° |
| S1 | C2 | C21 | O5 | 152.1° | 116.9° |
| S1 | C2 | C21 | C2I | 89.0° | 3.2° |
| S1 | C2 | C21 | C3 | 34.1° | 123.2° |
| C2 | C21 | O5 | C2I | 121.4° | 120.1° |
| C2 | C21 | O5 | C3 | 119.5° | 120.0° |
| C2 | C21 | C2I | C3 | 122.5° | 120.0° |
| C2 | C21 | C2I | C1I | 153.3° | 177.5° |
| C2 | C21 | C2I | C3I | 79.9° | 61.8° |
| C2 | C21 | C3 | C41 | 91.2° | 43.8° |
| C2 | C21 | C2I | H13 | 36.4° | 57.7° |
| C2 | C21 | C3 | H14 | 148.4° | 76.2° |
| C2 | C21 | C3 | H15 | 29.2° | 163.8° |
| C2 | C21 | O5 | H19 | 180.0° | 54.2° |
| O21 | P2 | O11 | O23 | 120.6° | 120.0° |
| O21 | P2 | O11 | O22 | 120.4° | 120.0° |
| O21 | P2 | O23 | O22 | 132.8° | 120.0° |
| O21 | P2 | O23 | H36 | 0.0° | 180.0° |
| O21 | P2 | O22 | H37 | 0.0° | 60.0° |
| O5 | C21 | C2I | C3 | 116.8° | 119.9° |
| O5 | C21 | C2I | C1I | 32.7° | 57.4° |
| O5 | C21 | C2I | C3I | 159.4° | 178.1° |
| O5 | C21 | C3 | C41 | 28.6° | 163.8° |
| O5 | C21 | C2I | H13 | 84.3° | 62.3° |
| O5 | C21 | C3 | H14 | 91.8° | 43.8° |
| O5 | C21 | C3 | H15 | 149.0° | 76.2° |
| C21 | C2I | C1I | C3I | 124.0° | 120.3° |
| C21 | C2I | C1I | H13 | 117.0° | 119.7° |
| C21 | C2I | C3I | H13 | 116.1° | 119.6° |
| C21 | C2I | C1I | C6I | 126.0° | 169.7° |
| C21 | C2I | C3I | C4I | 129.1° | 137.4° |
| C2I | C21 | C3 | C41 | 145.4° | 76.2° |
| C21 | C2I | C1I | H7 | 5.0° | 50.0° |
| C21 | C2I | C3I | H11 | 50.9° | 42.7° |
| C2I | C21 | C3 | H14 | 25.0° | 163.8° |
| C2I | C21 | C3 | H15 | 94.2° | 43.8° |
| C2I | C21 | O5 | H19 | 58.6° | 65.8° |
| C1I | C2I | C3I | H13 | 118.8° | 120.1° |
| C1I | C2I | C21 | C3 | 84.2° | 62.6° |
| C2I | C1I | C6I | H7 | 121.0° | 119.7° |
| C1I | C2I | C3I | C4I | 4.0° | 17.1° |
| C2I | C1I | C6I | O3I | 150.0° | 172.9° |
| C2I | C1I | C6I | C5I | 27.2° | 67.4° |
| C2I | C1I | C6I | H5 | 92.5° | 52.3° |
| C1I | C2I | C3I | H11 | 176.0° | 163.0° |
| C3I | C2I | C21 | C3 | 42.6° | 58.2° |
| C3I | C2I | C1I | C6I | 2.0° | 49.4° |
| C2I | C3I | C4I | H11 | 180.0° | 179.9° |
| C2I | C3I | C4I | C5I | 32.6° | 0.6° |
| C3I | C2I | C1I | H7 | 119.0° | 70.3° |
| C2I | C3I | C4I | H9 | 147.4° | 179.6° |
| C21 | C3 | C41 | H14 | 120.4° | 120.0° |
| C21 | C3 | C41 | H15 | 120.4° | 120.0° |
| C21 | C3 | C41 | C51 | 164.0° | 174.2° |
| C3 | C21 | C2I | H13 | 158.9° | 177.7° |
| C21 | C3 | H14 | H15 | 118.8° | 120.0° |
| C21 | C3 | C41 | H16 | 75.6° | 65.7° |
| C21 | C3 | C41 | H17 | 43.6° | 54.3° |
| C3 | C21 | O5 | H19 | 60.5° | 174.2° |
| O11 | P2 | O23 | O22 | 111.2° | 120.0° |
| O11 | P2 | O23 | H36 | 116.0° | 60.1° |
| O11 | P2 | O22 | H37 | 115.0° | 180.0° |
| C1I | C6I | O3I | C5I | 126.4° | 118.9° |
| C1I | C6I | O3I | H5 | 116.7° | 120.6° |
| C1I | C6I | C5I | H5 | 119.6° | 119.8° |
| C1I | C6I | C5I | C4I | 50.3° | 49.5° |
| C1I | C6I | C5I | O3P | 167.7° | 169.6° |
| C1I | C6I | C5I | H4 | 70.4° | 70.7° |
| C1I | C6I | O3I | H6 | 180.0° | 178.9° |
| C6I | C1I | C2I | H13 | 117.0° | 70.7° |
| C3I | C4I | C5I | C6I | 55.0° | 17.3° |
| C3I | C4I | C5I | H9 | 180.0° | 179.8° |
| C3I | C4I | C5I | O3P | 170.6° | 137.4° |
| C3I | C4I | C5I | H4 | 65.6° | 102.9° |
| C4I | C3I | C2I | H13 | 114.8° | 103.0° |
| O23 | P2 | O22 | H37 | 132.4° | 59.9° |
| O22 | P2 | O23 | H36 | 132.7° | 60.0° |
| O3I | C6I | C5I | H5 | 117.6° | 120.5° |
| O3I | C6I | C5I | C4I | 173.1° | 169.2° |
| O3I | C6I | C5I | O3P | 69.5° | 70.7° |
| O3I | C6I | C5I | H4 | 52.4° | 49.0° |
| O3I | C6I | C1I | H7 | 29.1° | 67.4° |
| C6I | C5I | C4I | O3P | 115.6° | 120.1° |
| C6I | C5I | C4I | H4 | 120.6° | 120.2° |
| C6I | C5I | O3P | H4 | 121.0° | 119.7° |
| C6I | C5I | O3P | C2P | 144.2° | 155.3° |
| C5I | C6I | O3I | H6 | 53.6° | 60.0° |
| C5I | C6I | C1I | H7 | 93.8° | 52.3° |
| C6I | C5I | C4I | H9 | 125.0° | 162.8° |
| C4I | C5I | O3P | H4 | 123.1° | 119.8° |
| C4I | C5I | O3P | C2P | 99.9° | 84.2° |
| C4I | C5I | C6I | H5 | 69.3° | 70.3° |
| C5I | C4I | C3I | H11 | 147.4° | 179.5° |
| C3 | C41 | C51 | H16 | 120.4° | 120.1° |
| C3 | C41 | C51 | H17 | 120.4° | 120.0° |
| C3 | C41 | C51 | O3 | 107.4° | 5.2° |
| C3 | C41 | C51 | O4 | 73.3° | 174.8° |
| C41 | C3 | H14 | H15 | 118.8° | 119.9° |
| C3 | C41 | H16 | H17 | 118.8° | 120.0° |
| C41 | C51 | O3 | O4 | 179.4° | 180.0° |
| C51 | C41 | C3 | H14 | 43.6° | 54.2° |
| C51 | C41 | C3 | H15 | 75.6° | 65.8° |
| C51 | C41 | H16 | H17 | 118.8° | 120.0° |
| C41 | C51 | O4 | H18 | 179.3° | 180.0° |
| C5I | O3P | C2P | C3P | 12.1° | 2.1° |
| C5I | O3P | C2P | C1P | 168.2° | 177.9° |
| O3P | C5I | C6I | H5 | 48.1° | 49.8° |
| O3P | C5I | C4I | H9 | 9.4° | 42.8° |
| O3P | C2P | C3P | C1P | 179.8° | 180.0° |
| O3P | C2P | C1P | O1P | 0.2° | 0.0° |
| O3P | C2P | C1P | O2P | 179.9° | 180.0° |
| O3P | C2P | C3P | H2 | 179.7° | 6.5° |
| O3P | C2P | C3P | H3 | 0.2° | 173.5° |
| C2P | O3P | C5I | H4 | 23.2° | 35.6° |
| O3 | C51 | C41 | H16 | 13.1° | 114.9° |
| O3 | C51 | C41 | H17 | 132.2° | 125.2° |
| O3 | C51 | O4 | H18 | 0.0° | 0.0° |
| O4 | C51 | C41 | H16 | 166.3° | 65.2° |
| O4 | C51 | C41 | H17 | 47.1° | 54.8° |
| C3P | C2P | C1P | O1P | 180.0° | 180.0° |
| C3P | C2P | C1P | O2P | 0.1° | 0.0° |
| C2P | C3P | H2 | H3 | 180.0° | 179.9° |
| C2P | C1P | O1P | O2P | 179.9° | 180.0° |
| C2P | C1P | O2P | H1 | 180.0° | 180.0° |
| C1P | C2P | C3P | H2 | 0.0° | 173.5° |
| C1P | C2P | C3P | H3 | 180.0° | 6.4° |
| O1P | C1P | O2P | H1 | 0.0° | 0.0° |
| H4 | C5I | C6I | H5 | 170.0° | 169.5° |
| H4 | C5I | C4I | H9 | 114.4° | 77.0° |
| H5 | C6I | O3I | H6 | 63.3° | 60.5° |
| H5 | C6I | C1I | H7 | 146.5° | 172.0° |
| H7 | C1I | C2I | H13 | 122.0° | 169.7° |
| H9 | C4I | C3I | H11 | 32.6° | 0.3° |
| H11 | C3I | C2I | H13 | 65.2° | 76.9° |
| H14 | C3 | C41 | H16 | 164.0° | 174.2° |
| H14 | C3 | C41 | H17 | 76.8° | 65.8° |
| H15 | C3 | C41 | H16 | 44.8° | 54.3° |
| H15 | C3 | C41 | H17 | 164.0° | 174.3° |
| H24 | C2A | H25 | H26 | 120.0° | 120.0° |
| H27 | C6' | N1' | H10 | 0.5° | 13.7° |
| H28 | C4A | H29 | H30 | 120.0° | 120.0° |
| H31 | C5A | C5B | H33 | 178.3° | 180.0° |
| H31 | C5A | C5B | H34 | 61.8° | 60.0° |
| H32 | C5A | C5B | H33 | 59.1° | 60.0° |
| H32 | C5A | C5B | H34 | 179.1° | 180.0° |
