DN4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3D | C3D | sing | 1.43Å | 1.47Å | |
| O2D | C2D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.55Å | 1.55Å | |
| C3D | C4D | sing | 1.54Å | 1.54Å | |
| C2D | C1D | sing | 1.55Å | 1.55Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | C5D | sing | 1.53Å | 1.54Å | |
| O4D | C1D | sing | 1.44Å | 1.48Å | |
| C1D | N1N | sing | 1.47Å | 1.52Å | |
| C5D | O5D | sing | 1.43Å | 1.39Å | |
| O5D | PN | sing | 1.61Å | 1.66Å | |
| O2N | PN | doub | 1.54Å | 1.50Å | |
| N1N | C2N | doub | 1.32Å | 1.43Å | Aromatic |
| N1N | C6N | sing | 1.32Å | 1.40Å | Aromatic |
| C2N | C3N | sing | 1.40Å | 1.40Å | Aromatic |
| O7N | C7N | doub | 1.21Å | 1.24Å | |
| PN | O3 | sing | 1.61Å | 1.66Å | |
| PN | O1N | sing | 1.55Å | 1.49Å | |
| O3 | PA | sing | 1.61Å | 1.62Å | |
| C6N | C5N | doub | 1.38Å | 1.40Å | Aromatic |
| C3N | C7N | sing | 1.48Å | 1.56Å | |
| C3N | C4N | doub | 1.40Å | 1.39Å | Aromatic |
| C7N | O8N | sing | 1.35Å | 1.27Å | |
| C5N | C4N | sing | 1.38Å | 1.40Å | Aromatic |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O5B | sing | 1.61Å | 1.65Å | |
| PA | O2A | sing | 1.61Å | 1.47Å | |
| C5B | O5B | sing | 1.43Å | 1.47Å | |
| C5B | C4B | sing | 1.53Å | 1.59Å | |
| C4B | O4B | sing | 1.44Å | 1.50Å | |
| C4B | C3B | sing | 1.54Å | 1.54Å | |
| O4B | C1B | sing | 1.44Å | 1.45Å | |
| C8A | N7A | doub | 1.30Å | 1.34Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.34Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.33Å | Aromatic |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| N9A | C1B | sing | 1.46Å | 1.49Å | |
| N9A | C4A | sing | 1.37Å | 1.33Å | Aromatic |
| C1B | C2B | sing | 1.55Å | 1.53Å | |
| C5A | C4A | doub | 1.40Å | 1.39Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.39Å | Aromatic |
| C2B | O2B | sing | 1.43Å | 1.44Å | |
| C4A | N3A | sing | 1.33Å | 1.35Å | Aromatic |
| N6A | C6A | sing | 1.38Å | 1.33Å | |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.33Å | Aromatic |
| O2B | P2B | sing | 1.61Å | 1.62Å | |
| N1A | C2A | sing | 1.32Å | 1.33Å | Aromatic |
| O1X | P2B | doub | 1.48Å | 1.48Å | |
| P2B | O2X | sing | 1.61Å | 1.62Å | |
| P2B | O3X | sing | 1.61Å | 1.62Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| C5B | H2 | sing | 1.09Å | 1.10Å | |
| C5B | H3 | sing | 1.09Å | 1.10Å | |
| C4B | H4 | sing | 1.09Å | 1.10Å | |
| C3B | H5 | sing | 1.09Å | 1.10Å | |
| O3B | H6 | sing | 0.97Å | 0.95Å | |
| C2B | H7 | sing | 1.09Å | 1.10Å | |
| C1B | H8 | sing | 1.09Å | 1.10Å | |
| C8A | H9 | sing | 1.08Å | 1.08Å | |
| N6A | H10 | sing | 0.97Å | 1.00Å | |
| N6A | H11 | sing | 0.97Å | 1.00Å | |
| C2A | H12 | sing | 1.08Å | 1.08Å | |
| C5D | H14 | sing | 1.09Å | 1.10Å | |
| C5D | H15 | sing | 1.09Å | 1.10Å | |
| C4D | H16 | sing | 1.09Å | 1.10Å | |
| C3D | H17 | sing | 1.09Å | 1.10Å | |
| O3D | H18 | sing | 0.97Å | 0.95Å | |
| C2D | H19 | sing | 1.09Å | 1.10Å | |
| O2D | H20 | sing | 0.97Å | 0.95Å | |
| C1D | H21 | sing | 1.09Å | 1.10Å | |
| C2N | H22 | sing | 1.08Å | 1.08Å | |
| C4N | H23 | sing | 1.08Å | 1.08Å | |
| C5N | H24 | sing | 1.08Å | 1.08Å | |
| C6N | H25 | sing | 1.08Å | 1.08Å | |
| O2X | H26 | sing | 0.97Å | 0.95Å | |
| O3X | H27 | sing | 0.97Å | 0.95Å | |
| O8N | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3D | C3D | C2D | 113.4° | 110.5° |
| O3D | C3D | C4D | 112.4° | 110.5° |
| O3D | C3D | H17 | 110.0° | 110.5° |
| C3D | O3D | H18 | 109.5° | 114.0° |
| O2D | C2D | C3D | 110.7° | 110.9° |
| O2D | C2D | C1D | 109.2° | 110.9° |
| O2D | C2D | H19 | 111.6° | 110.8° |
| C2D | O2D | H20 | 109.5° | 114.0° |
| C2D | C3D | C4D | 102.8° | 104.2° |
| C3D | C2D | C1D | 105.8° | 102.1° |
| C2D | C3D | H17 | 108.9° | 110.5° |
| C3D | C2D | H19 | 109.7° | 110.9° |
| C3D | C4D | O4D | 103.7° | 107.3° |
| C3D | C4D | C5D | 115.6° | 109.9° |
| C3D | C4D | H16 | 111.8° | 110.0° |
| C4D | C3D | H17 | 109.1° | 110.5° |
| C2D | C1D | O4D | 102.8° | 103.5° |
| C2D | C1D | N1N | 116.2° | 110.7° |
| C1D | C2D | H19 | 109.7° | 110.9° |
| C2D | C1D | H21 | 106.1° | 110.7° |
| O4D | C4D | C5D | 100.0° | 109.8° |
| C4D | O4D | C1D | 105.7° | 106.9° |
| O4D | C4D | H16 | 113.3° | 109.9° |
| C4D | C5D | O5D | 114.4° | 109.5° |
| C4D | C5D | H14 | 108.2° | 109.5° |
| C4D | C5D | H15 | 108.2° | 109.4° |
| C5D | C4D | H16 | 111.7° | 109.9° |
| O4D | C1D | N1N | 117.7° | 110.6° |
| O4D | C1D | H21 | 106.9° | 110.6° |
| C1D | N1N | C2N | 121.5° | 119.1° |
| C1D | N1N | C6N | 121.0° | 119.1° |
| N1N | C1D | H21 | 106.3° | 110.6° |
| C5D | O5D | PN | 124.1° | 123.0° |
| O5D | C5D | H14 | 108.2° | 109.5° |
| O5D | C5D | H15 | 108.2° | 109.4° |
| O5D | PN | O2N | 107.0° | 109.5° |
| O5D | PN | O3 | 90.3° | 109.5° |
| O5D | PN | O1N | 115.4° | 109.5° |
| O2N | PN | O3 | 113.3° | 109.5° |
| O2N | PN | O1N | 118.4° | 109.5° |
| C2N | N1N | C6N | 117.5° | 121.9° |
| N1N | C2N | C3N | 123.4° | 120.6° |
| N1N | C2N | H22 | 118.3° | 119.7° |
| N1N | C6N | C5N | 118.7° | 121.1° |
| N1N | C6N | H25 | 120.6° | 119.4° |
| C2N | C3N | C7N | 120.6° | 120.6° |
| C2N | C3N | C4N | 117.8° | 118.9° |
| C3N | C2N | H22 | 118.3° | 119.7° |
| O7N | C7N | C3N | 115.3° | 120.0° |
| O7N | C7N | O8N | 122.9° | 120.0° |
| O3 | PN | O1N | 109.0° | 109.4° |
| PN | O3 | PA | 122.8° | 134.0° |
| O3 | PA | O1A | 116.9° | 109.5° |
| O3 | PA | O5B | 87.0° | 109.5° |
| O3 | PA | O2A | 120.1° | 109.5° |
| C6N | C5N | C4N | 123.0° | 119.3° |
| C6N | C5N | H24 | 118.5° | 120.4° |
| C5N | C6N | H25 | 120.7° | 119.5° |
| C7N | C3N | C4N | 121.7° | 120.5° |
| C3N | C7N | O8N | 121.8° | 120.0° |
| C3N | C4N | C5N | 119.6° | 118.3° |
| C3N | C4N | H23 | 120.2° | 120.9° |
| C7N | O8N | H28 | 109.5° | 117.0° |
| C5N | C4N | H23 | 120.2° | 120.9° |
| C4N | C5N | H24 | 118.5° | 120.3° |
| O1A | PA | O5B | 93.6° | 109.5° |
| O1A | PA | O2A | 122.9° | 109.5° |
| O5B | PA | O2A | 86.0° | 109.5° |
| PA | O5B | C5B | 122.8° | 123.0° |
| PA | O2A | H1 | 109.5° | 113.9° |
| O5B | C5B | C4B | 117.0° | 109.5° |
| O5B | C5B | H2 | 107.5° | 109.5° |
| O5B | C5B | H3 | 107.6° | 109.5° |
| C5B | C4B | O4B | 111.7° | 109.9° |
| C5B | C4B | C3B | 118.1° | 109.9° |
| C4B | C5B | H2 | 107.6° | 109.5° |
| C4B | C5B | H3 | 107.6° | 109.5° |
| C5B | C4B | H4 | 106.2° | 109.9° |
| O4B | C4B | C3B | 106.5° | 107.3° |
| C4B | O4B | C1B | 109.3° | 107.0° |
| O4B | C4B | H4 | 107.2° | 109.9° |
| C4B | C3B | C2B | 103.6° | 104.2° |
| C4B | C3B | O3B | 108.5° | 110.4° |
| C3B | C4B | H4 | 106.6° | 110.0° |
| C4B | C3B | H5 | 110.8° | 110.5° |
| O4B | C1B | N9A | 114.6° | 110.6° |
| O4B | C1B | C2B | 106.7° | 103.5° |
| O4B | C1B | H8 | 111.0° | 110.7° |
| N7A | C8A | N9A | 109.8° | 110.0° |
| C8A | N7A | C5A | 107.4° | 109.4° |
| N7A | C8A | H9 | 125.1° | 124.9° |
| C8A | N9A | C1B | 126.8° | 126.3° |
| C8A | N9A | C4A | 107.9° | 107.4° |
| N9A | C8A | H9 | 125.1° | 125.1° |
| N7A | C5A | C4A | 107.9° | 107.2° |
| N7A | C5A | C6A | 133.8° | 134.7° |
| C2B | C3B | O3B | 110.0° | 110.5° |
| C3B | C2B | C1B | 104.6° | 102.1° |
| C3B | C2B | O2B | 112.7° | 110.9° |
| C2B | C3B | H5 | 111.0° | 110.5° |
| C3B | C2B | H7 | 109.5° | 110.9° |
| O3B | C3B | H5 | 112.6° | 110.5° |
| C3B | O3B | H6 | 109.5° | 114.1° |
| C1B | N9A | C4A | 125.2° | 126.3° |
| N9A | C1B | C2B | 103.9° | 110.6° |
| N9A | C1B | H8 | 110.4° | 110.7° |
| N9A | C4A | C5A | 106.9° | 106.0° |
| N9A | C4A | N3A | 133.2° | 134.9° |
| C1B | C2B | O2B | 109.5° | 110.9° |
| C1B | C2B | H7 | 109.5° | 111.0° |
| C2B | C1B | H8 | 109.9° | 110.7° |
| C4A | C5A | C6A | 118.3° | 118.2° |
| C5A | C4A | N3A | 119.9° | 119.1° |
| C5A | C6A | N6A | 120.3° | 120.8° |
| C5A | C6A | N1A | 119.1° | 118.4° |
| C2B | O2B | P2B | 120.5° | 123.0° |
| O2B | C2B | H7 | 110.8° | 110.8° |
| C4A | N3A | C2A | 120.1° | 120.7° |
| N6A | C6A | N1A | 120.6° | 120.8° |
| C6A | N6A | H10 | 109.5° | 120.0° |
| C6A | N6A | H11 | 109.5° | 120.0° |
| C6A | N1A | C2A | 121.1° | 121.3° |
| N3A | C2A | N1A | 121.5° | 122.4° |
| N3A | C2A | H12 | 119.2° | 118.8° |
| O2B | P2B | O1X | 114.2° | 109.4° |
| O2B | P2B | O2X | 102.1° | 109.5° |
| O2B | P2B | O3X | 106.0° | 109.5° |
| N1A | C2A | H12 | 119.3° | 118.8° |
| O1X | P2B | O2X | 114.3° | 109.5° |
| O1X | P2B | O3X | 112.1° | 109.5° |
| O2X | P2B | O3X | 107.2° | 109.5° |
| P2B | O2X | H26 | 109.5° | 114.0° |
| P2B | O3X | H27 | 109.5° | 113.9° |
| H2 | C5B | H3 | 109.5° | 109.4° |
| H10 | N6A | H11 | 109.5° | 120.0° |
| H14 | C5D | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3D | C3D | C2D | O2D | 5.5° | 20.4° |
| O3D | C3D | C2D | C4D | 121.7° | 118.7° |
| O3D | C3D | C2D | H17 | 122.8° | 122.6° |
| O3D | C3D | C4D | H17 | 122.2° | 122.6° |
| O3D | C3D | C2D | C1D | 112.7° | 97.8° |
| O3D | C3D | C4D | O4D | 89.8° | 120.7° |
| O3D | C3D | C4D | C5D | 161.8° | 119.9° |
| O3D | C3D | C4D | H16 | 32.5° | 1.3° |
| O3D | C3D | C2D | H19 | 129.0° | 144.0° |
| O2D | C2D | C3D | C1D | 118.1° | 118.2° |
| O2D | C2D | C3D | H19 | 123.6° | 123.6° |
| O2D | C2D | C3D | C4D | 127.1° | 139.1° |
| O2D | C2D | C1D | H19 | 122.6° | 123.6° |
| O2D | C2D | C1D | O4D | 102.4° | 155.2° |
| O2D | C2D | C1D | N1N | 127.6° | 86.3° |
| O2D | C2D | C3D | H17 | 117.3° | 102.2° |
| O2D | C2D | C1D | H21 | 9.7° | 36.7° |
| C2D | C3D | C4D | H17 | 115.4° | 118.7° |
| C3D | C2D | C1D | H19 | 118.3° | 118.2° |
| C2D | C3D | C4D | O4D | 32.5° | 2.1° |
| C2D | C3D | C4D | C5D | 75.8° | 121.4° |
| C3D | C2D | C1D | O4D | 16.8° | 37.0° |
| C3D | C2D | C1D | N1N | 113.3° | 155.5° |
| C2D | C3D | C4D | H16 | 154.9° | 117.4° |
| C2D | C3D | O3D | H18 | 180.0° | 61.5° |
| C3D | C2D | O2D | H20 | 180.0° | 61.5° |
| C3D | C2D | C1D | H21 | 128.8° | 81.5° |
| C4D | C3D | C2D | C1D | 9.0° | 20.9° |
| C3D | C4D | O4D | C5D | 119.7° | 119.4° |
| C3D | C4D | O4D | H16 | 121.4° | 119.6° |
| C3D | C4D | C5D | H16 | 129.3° | 121.2° |
| C3D | C4D | O4D | C1D | 45.4° | 26.5° |
| C3D | C4D | C5D | O5D | 77.7° | 175.7° |
| C3D | C4D | C5D | H14 | 43.0° | 64.2° |
| C3D | C4D | C5D | H15 | 161.5° | 55.8° |
| C4D | C3D | O3D | H18 | 63.9° | 176.3° |
| C4D | C3D | C2D | H19 | 109.3° | 97.3° |
| C2D | C1D | O4D | C4D | 38.6° | 40.1° |
| C2D | C1D | O4D | N1N | 129.1° | 118.5° |
| C2D | C1D | O4D | H21 | 111.4° | 118.6° |
| C2D | C1D | N1N | H21 | 117.8° | 123.0° |
| C2D | C1D | N1N | C2N | 44.0° | 104.4° |
| C2D | C1D | N1N | C6N | 138.4° | 75.7° |
| C1D | C2D | C3D | H17 | 124.5° | 139.6° |
| C1D | C2D | O2D | H20 | 64.0° | 174.2° |
| O4D | C4D | C5D | H16 | 120.1° | 121.0° |
| C4D | O4D | C1D | N1N | 90.5° | 158.6° |
| O4D | C4D | C5D | O5D | 171.7° | 66.5° |
| O4D | C4D | C5D | H14 | 67.6° | 53.5° |
| O4D | C4D | C5D | H15 | 51.0° | 173.6° |
| O4D | C4D | C3D | H17 | 147.9° | 116.7° |
| C4D | O4D | C1D | H21 | 150.1° | 78.5° |
| C5D | C4D | O4D | C1D | 74.3° | 145.9° |
| C4D | C5D | O5D | H14 | 120.7° | 120.1° |
| C4D | C5D | O5D | H15 | 120.7° | 119.9° |
| C4D | C5D | O5D | PN | 110.2° | 179.9° |
| C4D | C5D | H14 | H15 | 117.7° | 120.0° |
| C5D | C4D | C3D | H17 | 39.6° | 2.7° |
| O4D | C1D | N1N | H21 | 119.7° | 122.9° |
| O4D | C1D | N1N | C2N | 166.5° | 141.4° |
| O4D | C1D | N1N | C6N | 15.9° | 38.4° |
| C1D | O4D | C4D | H16 | 166.8° | 93.0° |
| O4D | C1D | C2D | H19 | 135.1° | 81.2° |
| C1D | N1N | C2N | C6N | 177.7° | 179.8° |
| C1D | N1N | C2N | C3N | 179.8° | 180.0° |
| C1D | N1N | C6N | C5N | 179.8° | 179.7° |
| N1N | C1D | C2D | H19 | 5.0° | 37.3° |
| C1D | N1N | C2N | H22 | 0.2° | 0.0° |
| C1D | N1N | C6N | H25 | 0.2° | 0.1° |
| C5D | O5D | PN | O2N | 99.6° | 55.0° |
| C5D | O5D | PN | O3 | 145.8° | 175.0° |
| C5D | O5D | PN | O1N | 34.5° | 65.0° |
| O5D | C5D | H14 | H15 | 117.8° | 120.0° |
| O5D | C5D | C4D | H16 | 51.6° | 54.5° |
| O5D | PN | O2N | O3 | 97.9° | 120.0° |
| O5D | PN | O2N | O1N | 132.5° | 120.0° |
| O5D | PN | O3 | O1N | 117.2° | 120.0° |
| O5D | PN | O3 | PA | 142.4° | 165.0° |
| PN | O5D | C5D | H14 | 129.0° | 60.0° |
| PN | O5D | C5D | H15 | 10.5° | 60.0° |
| O2N | PN | O3 | O1N | 134.2° | 120.0° |
| O2N | PN | O3 | PA | 108.9° | 45.0° |
| N1N | C2N | C3N | H22 | 180.0° | 179.9° |
| C2N | N1N | C6N | C5N | 2.2° | 0.5° |
| N1N | C2N | C3N | C7N | 178.5° | 180.0° |
| N1N | C2N | C3N | C4N | 1.0° | 0.0° |
| C2N | N1N | C1D | H21 | 73.8° | 18.6° |
| C2N | N1N | C6N | H25 | 177.9° | 179.7° |
| C6N | N1N | C2N | C3N | 2.2° | 0.2° |
| N1N | C6N | C5N | H25 | 180.0° | 179.8° |
| N1N | C6N | C5N | C4N | 1.2° | 0.4° |
| C6N | N1N | C1D | H21 | 103.8° | 161.2° |
| C6N | N1N | C2N | H22 | 177.8° | 179.8° |
| N1N | C6N | C5N | H24 | 178.9° | 179.7° |
| C2N | C3N | C7N | O7N | 10.5° | 0.1° |
| C2N | C3N | C7N | C4N | 179.4° | 180.0° |
| C2N | C3N | C7N | O8N | 169.0° | 180.0° |
| C2N | C3N | C4N | C5N | 0.2° | 0.1° |
| C2N | C3N | C4N | H23 | 179.8° | 180.0° |
| O7N | C7N | C3N | O8N | 179.5° | 179.9° |
| O7N | C7N | C3N | C4N | 168.9° | 179.9° |
| O7N | C7N | O8N | H28 | 0.0° | 0.1° |
| PN | O3 | PA | O1A | 157.7° | 45.0° |
| PN | O3 | PA | O5B | 109.8° | 165.0° |
| PN | O3 | PA | O2A | 26.1° | 75.0° |
| O1N | PN | O3 | PA | 25.2° | 75.0° |
| O3 | PA | O1A | O5B | 88.5° | 120.0° |
| O3 | PA | O1A | O2A | 176.1° | 120.0° |
| O3 | PA | O5B | O2A | 120.4° | 120.0° |
| O3 | PA | O5B | C5B | 55.6° | 175.0° |
| O3 | PA | O2A | H1 | 176.0° | 60.0° |
| C6N | C5N | C4N | C3N | 0.1° | 0.2° |
| C6N | C5N | C4N | H24 | 180.0° | 179.8° |
| C6N | C5N | C4N | H23 | 179.9° | 179.8° |
| C7N | C3N | C4N | C5N | 179.6° | 179.9° |
| C7N | C3N | C2N | H22 | 1.5° | 0.1° |
| C7N | C3N | C4N | H23 | 0.4° | 0.0° |
| C3N | C7N | O8N | H28 | 179.5° | 180.0° |
| C4N | C3N | C7N | O8N | 11.5° | 0.0° |
| C3N | C4N | C5N | H23 | 180.0° | 179.9° |
| C4N | C3N | C2N | H22 | 179.0° | 179.9° |
| C3N | C4N | C5N | H24 | 179.9° | 180.0° |
| C4N | C5N | C6N | H25 | 178.9° | 179.7° |
| O1A | PA | O5B | O2A | 122.8° | 120.0° |
| O1A | PA | O5B | C5B | 172.4° | 55.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| PA | O5B | C5B | C4B | 104.0° | 180.0° |
| O5B | PA | O2A | H1 | 91.7° | 60.0° |
| PA | O5B | C5B | H2 | 134.9° | 60.0° |
| PA | O5B | C5B | H3 | 17.1° | 60.0° |
| O2A | PA | O5B | C5B | 64.8° | 65.0° |
| O5B | C5B | C4B | H2 | 121.1° | 120.0° |
| O5B | C5B | C4B | H3 | 121.1° | 120.0° |
| O5B | C5B | C4B | O4B | 116.9° | 66.5° |
| O5B | C5B | C4B | C3B | 7.1° | 175.8° |
| O5B | C5B | H2 | H3 | 116.6° | 120.0° |
| O5B | C5B | C4B | H4 | 126.6° | 54.6° |
| C5B | C4B | O4B | C3B | 130.3° | 119.4° |
| C5B | C4B | O4B | H4 | 115.9° | 121.1° |
| C5B | C4B | C3B | H4 | 119.3° | 121.1° |
| C5B | C4B | O4B | C1B | 125.5° | 146.0° |
| C5B | C4B | C3B | C2B | 104.6° | 121.4° |
| C5B | C4B | C3B | O3B | 138.5° | 119.8° |
| C4B | C5B | H2 | H3 | 116.6° | 120.0° |
| C5B | C4B | C3B | H5 | 14.4° | 2.7° |
| O4B | C4B | C3B | H4 | 114.2° | 119.5° |
| O4B | C4B | C3B | C2B | 21.8° | 2.0° |
| O4B | C4B | C3B | O3B | 95.0° | 120.8° |
| C4B | O4B | C1B | N9A | 128.9° | 158.5° |
| C4B | O4B | C1B | C2B | 14.5° | 40.1° |
| O4B | C4B | C5B | H2 | 122.1° | 53.6° |
| O4B | C4B | C5B | H3 | 4.2° | 173.5° |
| O4B | C4B | C3B | H5 | 140.9° | 116.7° |
| C4B | O4B | C1B | H8 | 105.2° | 78.4° |
| C3B | C4B | O4B | C1B | 4.8° | 26.6° |
| C4B | C3B | C2B | O3B | 115.8° | 118.7° |
| C4B | C3B | C2B | H5 | 118.9° | 118.7° |
| C4B | C3B | O3B | H5 | 123.0° | 122.6° |
| C4B | C3B | C2B | C1B | 30.2° | 20.9° |
| C4B | C3B | C2B | O2B | 149.1° | 139.0° |
| C3B | C4B | C5B | H2 | 114.0° | 64.2° |
| C3B | C4B | C5B | H3 | 128.2° | 55.7° |
| C4B | C3B | O3B | H6 | 180.0° | 61.4° |
| C4B | C3B | C2B | H7 | 87.1° | 97.4° |
| O4B | C1B | N9A | C8A | 57.4° | 23.7° |
| O4B | C1B | C2B | C3B | 28.2° | 37.1° |
| O4B | C1B | N9A | C2B | 116.0° | 114.0° |
| O4B | C1B | N9A | H8 | 126.2° | 123.0° |
| O4B | C1B | N9A | C4A | 124.5° | 156.5° |
| O4B | C1B | C2B | H8 | 120.5° | 118.6° |
| O4B | C1B | C2B | O2B | 149.2° | 155.2° |
| C1B | O4B | C4B | H4 | 118.6° | 93.0° |
| O4B | C1B | C2B | H7 | 89.1° | 81.2° |
| N7A | C8A | N9A | H9 | 180.0° | 179.9° |
| N7A | C8A | N9A | C1B | 178.7° | 180.0° |
| N7A | C8A | N9A | C4A | 0.3° | 0.2° |
| C8A | N7A | C5A | C4A | 0.0° | 0.3° |
| C8A | N7A | C5A | C6A | 179.4° | 179.9° |
| N9A | C8A | N7A | C5A | 0.2° | 0.1° |
| C8A | N9A | C1B | C4A | 178.1° | 179.8° |
| C8A | N9A | C1B | C2B | 58.6° | 90.2° |
| C8A | N9A | C4A | C5A | 0.4° | 0.4° |
| C8A | N9A | C4A | N3A | 180.0° | 179.4° |
| C8A | N9A | C1B | H8 | 176.4° | 146.8° |
| N7A | C5A | C4A | N9A | 0.3° | 0.4° |
| N7A | C5A | C4A | C6A | 179.6° | 179.9° |
| N7A | C5A | C4A | N3A | 179.9° | 179.6° |
| N7A | C5A | C6A | N6A | 0.2° | 0.1° |
| N7A | C5A | C6A | N1A | 179.3° | 179.9° |
| C5A | N7A | C8A | H9 | 179.8° | 180.0° |
| C2B | C3B | O3B | H5 | 124.3° | 122.6° |
| C3B | C2B | C1B | N9A | 149.6° | 155.5° |
| C3B | C2B | C1B | O2B | 121.1° | 118.2° |
| C3B | C2B | C1B | H7 | 117.3° | 118.2° |
| C3B | C2B | O2B | H7 | 123.1° | 123.7° |
| C3B | C2B | O2B | P2B | 95.7° | 121.4° |
| C2B | C3B | C4B | H4 | 136.0° | 117.4° |
| C2B | C3B | O3B | H6 | 67.3° | 176.2° |
| C3B | C2B | C1B | H8 | 92.3° | 81.5° |
| O3B | C3B | C2B | C1B | 85.6° | 97.8° |
| O3B | C3B | C2B | O2B | 33.3° | 20.4° |
| O3B | C3B | C4B | H4 | 19.1° | 1.3° |
| O3B | C3B | C2B | H7 | 157.0° | 144.0° |
| N9A | C1B | C2B | H8 | 118.1° | 123.0° |
| C1B | N9A | C4A | C5A | 178.8° | 179.8° |
| N9A | C1B | C2B | O2B | 89.4° | 86.3° |
| C1B | N9A | C4A | N3A | 1.6° | 0.8° |
| N9A | C1B | C2B | H7 | 32.3° | 37.3° |
| C1B | N9A | C8A | H9 | 1.3° | 0.1° |
| C4A | N9A | C1B | C2B | 119.5° | 89.5° |
| N9A | C4A | C5A | N3A | 179.7° | 179.2° |
| N9A | C4A | C5A | C6A | 179.3° | 179.7° |
| N9A | C4A | N3A | C2A | 179.0° | 179.5° |
| C4A | N9A | C1B | H8 | 1.7° | 33.4° |
| C4A | N9A | C8A | H9 | 179.6° | 179.7° |
| C1B | C2B | O2B | H7 | 120.9° | 123.7° |
| C1B | C2B | O2B | P2B | 148.3° | 125.9° |
| C1B | C2B | C3B | H5 | 149.1° | 139.6° |
| C4A | C5A | C6A | N6A | 179.6° | 179.7° |
| C4A | C5A | C6A | N1A | 0.2° | 0.2° |
| C5A | C4A | N3A | C2A | 0.6° | 0.6° |
| C6A | C5A | C4A | N3A | 0.4° | 0.5° |
| C5A | C6A | N6A | N1A | 179.4° | 180.0° |
| C5A | C6A | N1A | C2A | 0.6° | 0.0° |
| C5A | C6A | N6A | H10 | 179.4° | 0.0° |
| C5A | C6A | N6A | H11 | 59.4° | 180.0° |
| C2B | O2B | P2B | O1X | 34.7° | 55.0° |
| C2B | O2B | P2B | O2X | 89.1° | 64.9° |
| C2B | O2B | P2B | O3X | 158.7° | 175.0° |
| O2B | C2B | C3B | H5 | 92.0° | 102.3° |
| O2B | C2B | C1B | H8 | 28.8° | 36.7° |
| C4A | N3A | C2A | N1A | 0.2° | 0.4° |
| C4A | N3A | C2A | H12 | 179.8° | 179.7° |
| N6A | C6A | N1A | C2A | 180.0° | 180.0° |
| C6A | N6A | H10 | H11 | 120.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.4° | 0.1° |
| N1A | C6A | N6A | H10 | 0.0° | 180.0° |
| N1A | C6A | N6A | H11 | 120.0° | 0.0° |
| C6A | N1A | C2A | H12 | 179.6° | 180.0° |
| N3A | C2A | N1A | H12 | 180.0° | 179.9° |
| O2B | P2B | O1X | O2X | 117.1° | 120.0° |
| O2B | P2B | O1X | O3X | 120.6° | 120.0° |
| O2B | P2B | O2X | O3X | 111.3° | 120.0° |
| P2B | O2B | C2B | H7 | 27.4° | 2.2° |
| O2B | P2B | O2X | H26 | 123.8° | 60.1° |
| O2B | P2B | O3X | H27 | 125.2° | 180.0° |
| O1X | P2B | O2X | O3X | 124.9° | 120.0° |
| O1X | P2B | O2X | H26 | 0.0° | 180.0° |
| O1X | P2B | O3X | H27 | 0.0° | 60.0° |
| O2X | P2B | O3X | H27 | 126.2° | 60.0° |
| O3X | P2B | O2X | H26 | 124.9° | 60.0° |
| H2 | C5B | C4B | H4 | 5.6° | 174.6° |
| H3 | C5B | C4B | H4 | 112.3° | 65.4° |
| H4 | C4B | C3B | H5 | 104.9° | 123.9° |
| H5 | C3B | O3B | H6 | 57.0° | 61.1° |
| H5 | C3B | C2B | H7 | 31.8° | 21.3° |
| H7 | C2B | C1B | H8 | 150.4° | 160.3° |
| H14 | C5D | C4D | H16 | 172.3° | 174.5° |
| H15 | C5D | C4D | H16 | 69.2° | 65.4° |
| H16 | C4D | C3D | H17 | 89.7° | 123.8° |
| H17 | C3D | O3D | H18 | 57.9° | 61.1° |
| H17 | C3D | C2D | H19 | 6.2° | 21.4° |
| H19 | C2D | O2D | H20 | 57.5° | 62.2° |
| H19 | C2D | C1D | H21 | 112.9° | 160.3° |
| H23 | C4N | C5N | H24 | 0.1° | 0.1° |
| H24 | C5N | C6N | H25 | 1.1° | 0.1° |
