3AA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| PA | O2A | doub | 1.48Å | 1.49Å | |
| PA | O5B | sing | 1.61Å | 1.54Å | |
| PA | O3 | sing | 1.61Å | 1.59Å | |
| O1A | HA1 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.40Å | |
| C5B | C4B | sing | 1.53Å | 1.52Å | |
| C5B | H5'1 | sing | 1.09Å | 1.11Å | |
| C5B | H5'2 | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.42Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| C4B | H'4 | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.44Å | |
| C1B | N9A | sing | 1.47Å | 1.48Å | |
| C1B | C2B | sing | 1.55Å | 1.49Å | |
| C1B | H'1 | sing | 1.09Å | 1.11Å | |
| N9A | C4A | sing | 1.37Å | 1.36Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.34Å | Aromatic |
| C4A | C5A | doub | 1.41Å | 1.36Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.32Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.33Å | Aromatic |
| C2A | H2 | sing | 1.08Å | 1.10Å | |
| N1A | C6A | doub | 1.33Å | 1.34Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.34Å | |
| C6A | C5A | sing | 1.40Å | 1.39Å | Aromatic |
| N6A | HN61 | sing | 0.97Å | 1.02Å | |
| N6A | HN62 | sing | 0.97Å | 1.02Å | |
| C5A | N7A | sing | 1.35Å | 1.37Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.28Å | Aromatic |
| C8A | H8 | sing | 1.08Å | 1.10Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.55Å | 1.54Å | |
| C2B | H'2 | sing | 1.09Å | 1.12Å | |
| O2B | P2B | sing | 1.61Å | 1.63Å | |
| P2B | O1X | doub | 1.48Å | 1.51Å | |
| P2B | O2X | sing | 1.61Å | 1.52Å | |
| P2B | O3X | sing | 1.61Å | 1.53Å | |
| O2X | H0P2 | sing | 0.97Å | 0.95Å | |
| O3X | H0P3 | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.45Å | |
| C3B | H'3 | sing | 1.09Å | 1.12Å | |
| O3B | HA3' | sing | 0.97Å | 0.95Å | |
| O3 | PN | sing | 1.61Å | 1.60Å | |
| PN | O1N | doub | 1.48Å | 1.46Å | |
| PN | O2N | sing | 1.61Å | 1.47Å | |
| PN | O5D | sing | 1.61Å | 1.56Å | |
| O2N | HN1 | sing | 0.97Å | 0.95Å | |
| O5D | C5D | sing | 1.43Å | 1.45Å | |
| C5D | C4D | sing | 1.53Å | 1.61Å | |
| C5D | H15' | sing | 1.09Å | 1.11Å | |
| C5D | H25' | sing | 1.09Å | 1.11Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | C3D | sing | 1.54Å | 1.54Å | |
| C4D | HC4' | sing | 1.09Å | 1.12Å | |
| O4D | C1D | sing | 1.44Å | 1.43Å | |
| C3D | O3D | sing | 1.43Å | 1.46Å | |
| C3D | C2D | sing | 1.55Å | 1.50Å | |
| C3D | H3' | sing | 1.09Å | 1.12Å | |
| O3D | HO3' | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.41Å | |
| C2D | C1D | sing | 1.55Å | 1.52Å | |
| C2D | H2' | sing | 1.09Å | 1.11Å | |
| O2D | HO2' | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.47Å | 1.49Å | |
| C1D | H1' | sing | 1.09Å | 1.12Å | |
| N1N | C2N | doub | 1.32Å | 1.41Å | Aromatic |
| N1N | C6N | sing | 1.32Å | 1.44Å | Aromatic |
| C2N | C3N | sing | 1.39Å | 1.43Å | Aromatic |
| C2N | HC2 | sing | 1.08Å | 1.10Å | |
| C4N | C5N | sing | 1.39Å | 1.41Å | Aromatic |
| C4N | C3N | doub | 1.39Å | 1.44Å | Aromatic |
| C4N | HC4 | sing | 1.08Å | 1.11Å | |
| C5N | C6N | doub | 1.38Å | 1.39Å | Aromatic |
| C5N | HC5 | sing | 1.08Å | 1.10Å | |
| C6N | HC6 | sing | 1.08Å | 1.10Å | |
| C3N | N7N | sing | 1.40Å | 1.30Å | |
| N7N | HN71 | sing | 0.97Å | 1.02Å | |
| N7N | HN72 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 119.4° | 109.5° |
| O1A | PA | O5B | 107.2° | 109.5° |
| O1A | PA | O3 | 109.9° | 109.5° |
| PA | O1A | HA1 | 119.4° | 114.0° |
| O2A | PA | O5B | 106.5° | 109.5° |
| O2A | PA | O3 | 107.0° | 109.4° |
| O5B | PA | O3 | 106.2° | 109.5° |
| PA | O5B | C5B | 122.6° | 123.1° |
| PA | O3 | PN | 125.3° | 134.0° |
| O5B | C5B | C4B | 110.7° | 109.5° |
| O5B | C5B | H5'1 | 111.7° | 109.4° |
| O5B | C5B | H5'2 | 111.7° | 109.4° |
| C4B | C5B | H5'1 | 111.8° | 109.5° |
| C4B | C5B | H5'2 | 111.8° | 109.5° |
| C5B | C4B | O4B | 105.6° | 109.9° |
| C5B | C4B | C3B | 115.0° | 109.9° |
| C5B | C4B | H'4 | 108.1° | 109.9° |
| H5'1 | C5B | H5'2 | 98.6° | 109.5° |
| O4B | C4B | C3B | 108.3° | 107.3° |
| O4B | C4B | H'4 | 114.8° | 109.9° |
| C4B | O4B | C1B | 108.7° | 106.9° |
| C3B | C4B | H'4 | 105.4° | 110.0° |
| C4B | C3B | C2B | 101.3° | 104.2° |
| C4B | C3B | O3B | 116.5° | 110.5° |
| C4B | C3B | H'3 | 112.0° | 110.5° |
| O4B | C1B | N9A | 109.1° | 110.6° |
| O4B | C1B | C2B | 106.6° | 103.5° |
| O4B | C1B | H'1 | 112.8° | 110.6° |
| N9A | C1B | C2B | 113.1° | 110.6° |
| N9A | C1B | H'1 | 106.4° | 110.6° |
| C1B | N9A | C4A | 125.2° | 126.2° |
| C1B | N9A | C8A | 129.7° | 126.3° |
| C2B | C1B | H'1 | 108.9° | 110.8° |
| C1B | C2B | O2B | 113.0° | 110.9° |
| C1B | C2B | C3B | 102.4° | 102.1° |
| C1B | C2B | H'2 | 113.9° | 110.9° |
| C4A | N9A | C8A | 105.0° | 107.4° |
| N9A | C4A | N3A | 126.6° | 134.9° |
| N9A | C4A | C5A | 106.3° | 106.0° |
| N9A | C8A | N7A | 114.1° | 110.0° |
| N9A | C8A | H8 | 125.3° | 125.0° |
| N3A | C4A | C5A | 127.2° | 119.1° |
| C4A | N3A | C2A | 109.3° | 120.7° |
| C4A | C5A | C6A | 118.3° | 118.2° |
| C4A | C5A | N7A | 110.4° | 107.1° |
| N3A | C2A | N1A | 129.7° | 122.4° |
| N3A | C2A | H2 | 114.8° | 118.8° |
| N1A | C2A | H2 | 115.6° | 118.8° |
| C2A | N1A | C6A | 119.3° | 121.2° |
| N1A | C6A | N6A | 120.8° | 120.8° |
| N1A | C6A | C5A | 116.2° | 118.5° |
| N6A | C6A | C5A | 122.8° | 120.8° |
| C6A | N6A | HN61 | 120.8° | 120.0° |
| C6A | N6A | HN62 | 108.1° | 120.0° |
| C6A | C5A | N7A | 131.3° | 134.7° |
| HN61 | N6A | HN62 | 108.2° | 120.0° |
| C5A | N7A | C8A | 104.2° | 109.5° |
| N7A | C8A | H8 | 120.6° | 125.0° |
| O2B | C2B | C3B | 114.7° | 110.9° |
| O2B | C2B | H'2 | 101.3° | 110.9° |
| C2B | O2B | P2B | 123.9° | 123.0° |
| C3B | C2B | H'2 | 112.1° | 110.9° |
| C2B | C3B | O3B | 113.5° | 110.5° |
| C2B | C3B | H'3 | 115.1° | 110.5° |
| O2B | P2B | O1X | 106.5° | 109.5° |
| O2B | P2B | O2X | 104.4° | 109.5° |
| O2B | P2B | O3X | 106.7° | 109.5° |
| O1X | P2B | O2X | 112.1° | 109.5° |
| O1X | P2B | O3X | 112.6° | 109.5° |
| O2X | P2B | O3X | 113.7° | 109.5° |
| P2B | O2X | H0P2 | 104.4° | 114.0° |
| P2B | O3X | H0P3 | 106.7° | 114.0° |
| O3B | C3B | H'3 | 99.2° | 110.5° |
| C3B | O3B | HA3' | 116.5° | 114.0° |
| O3 | PN | O1N | 108.9° | 109.4° |
| O3 | PN | O2N | 108.5° | 109.5° |
| O3 | PN | O5D | 104.5° | 109.5° |
| O1N | PN | O2N | 120.4° | 109.5° |
| O1N | PN | O5D | 104.8° | 109.5° |
| O2N | PN | O5D | 108.7° | 109.5° |
| PN | O2N | HN1 | 108.4° | 114.0° |
| PN | O5D | C5D | 130.1° | 123.0° |
| O5D | C5D | C4D | 115.6° | 109.4° |
| O5D | C5D | H15' | 110.0° | 109.4° |
| O5D | C5D | H25' | 110.0° | 109.5° |
| C4D | C5D | H15' | 109.9° | 109.5° |
| C4D | C5D | H25' | 109.9° | 109.5° |
| C5D | C4D | O4D | 113.8° | 109.9° |
| C5D | C4D | C3D | 114.9° | 109.8° |
| C5D | C4D | HC4' | 101.1° | 109.9° |
| H15' | C5D | H25' | 100.3° | 109.5° |
| O4D | C4D | C3D | 104.9° | 107.3° |
| O4D | C4D | HC4' | 111.8° | 109.9° |
| C4D | O4D | C1D | 109.5° | 107.0° |
| C3D | C4D | HC4' | 110.6° | 110.0° |
| C4D | C3D | O3D | 112.5° | 110.5° |
| C4D | C3D | C2D | 103.4° | 104.2° |
| C4D | C3D | H3' | 114.5° | 110.5° |
| O4D | C1D | C2D | 107.9° | 103.5° |
| O4D | C1D | N1N | 111.3° | 110.6° |
| O4D | C1D | H1' | 111.1° | 110.6° |
| O3D | C3D | C2D | 116.9° | 110.5° |
| O3D | C3D | H3' | 100.2° | 110.4° |
| C3D | O3D | HO3' | 112.5° | 114.0° |
| C2D | C3D | H3' | 109.8° | 110.6° |
| C3D | C2D | O2D | 111.9° | 110.9° |
| C3D | C2D | C1D | 101.2° | 102.1° |
| C3D | C2D | H2' | 116.4° | 110.9° |
| O2D | C2D | C1D | 117.3° | 110.9° |
| O2D | C2D | H2' | 99.9° | 110.8° |
| C2D | O2D | HO2' | 111.9° | 114.0° |
| C1D | C2D | H2' | 110.8° | 110.9° |
| C2D | C1D | N1N | 114.3° | 110.6° |
| C2D | C1D | H1' | 107.8° | 110.6° |
| N1N | C1D | H1' | 104.3° | 110.7° |
| C1D | N1N | C2N | 116.5° | 119.1° |
| C1D | N1N | C6N | 121.7° | 119.1° |
| C2N | N1N | C6N | 120.9° | 121.9° |
| N1N | C2N | C3N | 118.1° | 120.6° |
| N1N | C2N | HC2 | 120.3° | 119.7° |
| N1N | C6N | C5N | 119.6° | 120.9° |
| N1N | C6N | HC6 | 121.7° | 119.6° |
| C3N | C2N | HC2 | 121.6° | 119.7° |
| C2N | C3N | C4N | 121.5° | 119.0° |
| C2N | C3N | N7N | 119.2° | 120.5° |
| C5N | C4N | C3N | 118.2° | 118.3° |
| C5N | C4N | HC4 | 109.1° | 120.9° |
| C4N | C5N | C6N | 121.7° | 119.3° |
| C4N | C5N | HC5 | 119.8° | 120.3° |
| C3N | C4N | HC4 | 109.0° | 120.8° |
| C4N | C3N | N7N | 119.3° | 120.5° |
| C6N | C5N | HC5 | 118.5° | 120.4° |
| C5N | C6N | HC6 | 118.7° | 119.5° |
| C3N | N7N | HN71 | 119.2° | 120.0° |
| C3N | N7N | HN72 | 108.7° | 120.0° |
| HN71 | N7N | HN72 | 108.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 121.4° | 120.0° |
| O1A | PA | O2A | O3 | 125.4° | 120.0° |
| O1A | PA | O5B | O3 | 117.4° | 120.0° |
| O1A | PA | O5B | C5B | 57.9° | 65.0° |
| O1A | PA | O3 | PN | 148.5° | 75.0° |
| O2A | PA | O5B | O3 | 113.8° | 120.0° |
| O2A | PA | O1A | HA1 | 180.0° | 180.0° |
| O2A | PA | O5B | C5B | 173.2° | 55.0° |
| O2A | PA | O3 | PN | 17.5° | 45.0° |
| O5B | PA | O1A | HA1 | 59.0° | 60.1° |
| PA | O5B | C5B | C4B | 175.6° | 180.0° |
| PA | O5B | C5B | H5'1 | 50.4° | 60.0° |
| PA | O5B | C5B | H5'2 | 59.1° | 60.0° |
| O5B | PA | O3 | PN | 95.9° | 165.0° |
| O3 | PA | O1A | HA1 | 56.0° | 60.0° |
| O3 | PA | O5B | C5B | 59.5° | 175.0° |
| PA | O3 | PN | O1N | 43.8° | 45.0° |
| PA | O3 | PN | O2N | 176.5° | 75.0° |
| PA | O3 | PN | O5D | 67.8° | 165.0° |
| O5B | C5B | C4B | H5'1 | 125.2° | 120.0° |
| O5B | C5B | C4B | H5'2 | 125.2° | 120.0° |
| O5B | C5B | H5'1 | H5'2 | 117.6° | 119.9° |
| O5B | C5B | C4B | O4B | 171.7° | 66.5° |
| O5B | C5B | C4B | C3B | 69.0° | 175.7° |
| O5B | C5B | C4B | H'4 | 48.3° | 54.6° |
| C4B | C5B | H5'1 | H5'2 | 117.7° | 120.1° |
| C5B | C4B | O4B | C3B | 123.7° | 119.4° |
| C5B | C4B | O4B | H'4 | 119.0° | 121.0° |
| C5B | C4B | C3B | H'4 | 118.8° | 121.1° |
| C5B | C4B | O4B | C1B | 120.7° | 145.9° |
| C5B | C4B | C3B | C2B | 94.6° | 121.4° |
| C5B | C4B | C3B | O3B | 141.7° | 119.9° |
| C5B | C4B | C3B | H'3 | 28.5° | 2.7° |
| H5'1 | C5B | C4B | O4B | 46.4° | 53.5° |
| H5'1 | C5B | C4B | C3B | 165.7° | 64.3° |
| H5'1 | C5B | C4B | H'4 | 76.9° | 174.6° |
| H5'2 | C5B | C4B | O4B | 63.1° | 173.5° |
| H5'2 | C5B | C4B | C3B | 56.2° | 55.8° |
| H5'2 | C5B | C4B | H'4 | 173.5° | 65.4° |
| O4B | C4B | C3B | H'4 | 123.3° | 119.5° |
| C4B | O4B | C1B | N9A | 142.3° | 158.6° |
| C4B | O4B | C1B | C2B | 19.9° | 40.1° |
| C4B | O4B | C1B | H'1 | 99.6° | 78.6° |
| O4B | C4B | C3B | C2B | 23.3° | 2.1° |
| O4B | C4B | C3B | O3B | 100.4° | 120.8° |
| O4B | C4B | C3B | H'3 | 146.3° | 116.7° |
| C3B | C4B | O4B | C1B | 2.9° | 26.6° |
| C4B | C3B | C2B | C1B | 33.8° | 20.9° |
| C4B | C3B | C2B | O2B | 156.7° | 139.0° |
| C4B | C3B | C2B | O3B | 125.7° | 118.7° |
| C4B | C3B | C2B | H'3 | 120.9° | 118.7° |
| C4B | C3B | C2B | H'2 | 88.6° | 97.3° |
| C4B | C3B | O3B | H'3 | 120.3° | 122.6° |
| C4B | C3B | O3B | HA3' | 180.0° | 61.4° |
| H'4 | C4B | O4B | C1B | 120.3° | 93.0° |
| H'4 | C4B | C3B | C2B | 146.6° | 117.5° |
| H'4 | C4B | C3B | O3B | 22.9° | 1.2° |
| H'4 | C4B | C3B | H'3 | 90.4° | 123.8° |
| O4B | C1B | N9A | C2B | 118.5° | 114.0° |
| O4B | C1B | N9A | H'1 | 122.0° | 122.9° |
| O4B | C1B | C2B | H'1 | 122.0° | 118.6° |
| O4B | C1B | N9A | C4A | 116.4° | 156.5° |
| O4B | C1B | N9A | C8A | 63.1° | 23.2° |
| O4B | C1B | C2B | O2B | 157.8° | 155.2° |
| O4B | C1B | C2B | C3B | 33.9° | 37.1° |
| O4B | C1B | C2B | H'2 | 87.4° | 81.1° |
| N9A | C1B | C2B | H'1 | 118.0° | 123.0° |
| C1B | N9A | C4A | C8A | 179.6° | 179.8° |
| C1B | N9A | C4A | N3A | 0.7° | 0.0° |
| C1B | N9A | C4A | C5A | 179.7° | 180.0° |
| C1B | N9A | C8A | N7A | 179.9° | 179.9° |
| C1B | N9A | C8A | H8 | 0.1° | 0.0° |
| N9A | C1B | C2B | O2B | 82.2° | 86.4° |
| N9A | C1B | C2B | C3B | 153.8° | 155.5° |
| N9A | C1B | C2B | H'2 | 32.6° | 37.3° |
| C2B | C1B | N9A | C4A | 125.1° | 89.5° |
| C2B | C1B | N9A | C8A | 55.4° | 90.8° |
| C1B | C2B | O2B | C3B | 116.9° | 112.6° |
| C1B | C2B | O2B | H'2 | 122.2° | 123.7° |
| C1B | C2B | C3B | H'2 | 122.4° | 118.2° |
| C1B | C2B | O2B | P2B | 177.9° | 120.1° |
| C1B | C2B | C3B | O3B | 91.9° | 97.8° |
| C1B | C2B | C3B | H'3 | 154.8° | 139.6° |
| H'1 | C1B | N9A | C4A | 5.6° | 33.6° |
| H'1 | C1B | N9A | C8A | 174.8° | 146.1° |
| H'1 | C1B | C2B | O2B | 35.8° | 36.6° |
| H'1 | C1B | C2B | C3B | 88.2° | 81.5° |
| H'1 | C1B | C2B | H'2 | 150.6° | 160.3° |
| N9A | C4A | N3A | C5A | 179.5° | 180.0° |
| N9A | C4A | N3A | C2A | 179.7° | 179.9° |
| N9A | C4A | C5A | C6A | 179.5° | 180.0° |
| N9A | C4A | C5A | N7A | 0.8° | 0.0° |
| C4A | N9A | C8A | N7A | 0.3° | 0.4° |
| C4A | N9A | C8A | H8 | 179.7° | 179.7° |
| C8A | N9A | C4A | N3A | 178.9° | 179.8° |
| C8A | N9A | C4A | C5A | 0.6° | 0.2° |
| N9A | C8A | N7A | C5A | 0.1° | 0.4° |
| N9A | C8A | N7A | H8 | 179.9° | 179.9° |
| C4A | N3A | C2A | N1A | 0.4° | 0.2° |
| C4A | N3A | C2A | H2 | 179.6° | 180.0° |
| N3A | C4A | C5A | C6A | 0.9° | 0.0° |
| N3A | C4A | C5A | N7A | 178.8° | 180.0° |
| C5A | C4A | N3A | C2A | 0.3° | 0.1° |
| C4A | C5A | C6A | N1A | 1.0° | 0.0° |
| C4A | C5A | C6A | N6A | 174.3° | 180.0° |
| C4A | C5A | C6A | N7A | 179.6° | 179.9° |
| C4A | C5A | N7A | C8A | 0.6° | 0.2° |
| N3A | C2A | N1A | H2 | 180.0° | 179.8° |
| N3A | C2A | N1A | C6A | 0.4° | 0.1° |
| C2A | N1A | C6A | N6A | 175.0° | 179.9° |
| C2A | N1A | C6A | C5A | 0.4° | 0.0° |
| H2 | C2A | N1A | C6A | 179.6° | 179.9° |
| N1A | C6A | N6A | C5A | 175.1° | 180.0° |
| N1A | C6A | N6A | HN61 | 180.0° | 0.1° |
| N1A | C6A | N6A | HN62 | 54.7° | 180.0° |
| N1A | C6A | C5A | N7A | 178.7° | 179.9° |
| C6A | N6A | HN61 | HN62 | 125.3° | 179.9° |
| N6A | C6A | C5A | N7A | 6.0° | 0.0° |
| C5A | C6A | N6A | HN61 | 4.9° | 180.0° |
| C5A | C6A | N6A | HN62 | 130.2° | 0.0° |
| C6A | C5A | N7A | C8A | 179.8° | 179.8° |
| C5A | N7A | C8A | H8 | 179.8° | 179.7° |
| O2B | C2B | C3B | H'2 | 114.8° | 123.6° |
| C2B | O2B | P2B | O1X | 161.9° | 55.0° |
| C2B | O2B | P2B | O2X | 43.1° | 65.0° |
| C2B | O2B | P2B | O3X | 77.6° | 175.0° |
| O2B | C2B | C3B | O3B | 31.0° | 20.3° |
| O2B | C2B | C3B | H'3 | 82.4° | 102.2° |
| C3B | C2B | O2B | P2B | 65.2° | 127.3° |
| C2B | C3B | O3B | H'3 | 122.6° | 122.6° |
| C2B | C3B | O3B | HA3' | 62.9° | 176.3° |
| H'2 | C2B | O2B | P2B | 55.8° | 3.6° |
| H'2 | C2B | C3B | O3B | 145.7° | 144.0° |
| H'2 | C2B | C3B | H'3 | 32.3° | 21.4° |
| O2B | P2B | O1X | O2X | 113.6° | 120.0° |
| O2B | P2B | O1X | O3X | 116.6° | 120.0° |
| O2B | P2B | O2X | O3X | 115.9° | 120.0° |
| O2B | P2B | O2X | H0P2 | 180.0° | 60.0° |
| O2B | P2B | O3X | H0P3 | 180.0° | 180.0° |
| O1X | P2B | O2X | O3X | 129.1° | 120.0° |
| O1X | P2B | O2X | H0P2 | 65.1° | 180.0° |
| O1X | P2B | O3X | H0P3 | 63.5° | 60.0° |
| O2X | P2B | O3X | H0P3 | 65.4° | 60.0° |
| O3X | P2B | O2X | H0P2 | 64.0° | 60.0° |
| H'3 | C3B | O3B | HA3' | 59.7° | 61.2° |
| O3 | PN | O1N | O2N | 126.1° | 120.0° |
| O3 | PN | O1N | O5D | 111.3° | 120.0° |
| O3 | PN | O2N | O5D | 113.0° | 120.0° |
| O3 | PN | O2N | HN1 | 180.0° | 60.0° |
| O3 | PN | O5D | C5D | 48.4° | 175.0° |
| O1N | PN | O2N | O5D | 120.7° | 120.0° |
| O1N | PN | O2N | HN1 | 53.8° | 180.0° |
| O1N | PN | O5D | C5D | 162.8° | 55.0° |
| O2N | PN | O5D | C5D | 67.3° | 65.1° |
| O5D | PN | O2N | HN1 | 66.9° | 60.0° |
| PN | O5D | C5D | C4D | 177.3° | 180.0° |
| PN | O5D | C5D | H15' | 52.1° | 60.1° |
| PN | O5D | C5D | H25' | 57.5° | 60.0° |
| O5D | C5D | C4D | H15' | 125.2° | 119.9° |
| O5D | C5D | C4D | H25' | 125.3° | 120.0° |
| O5D | C5D | H15' | H25' | 115.9° | 120.0° |
| O5D | C5D | C4D | O4D | 62.7° | 66.5° |
| O5D | C5D | C4D | C3D | 58.2° | 175.7° |
| O5D | C5D | C4D | HC4' | 177.3° | 54.6° |
| C4D | C5D | H15' | H25' | 115.7° | 120.1° |
| C5D | C4D | O4D | C3D | 126.4° | 119.4° |
| C5D | C4D | O4D | HC4' | 113.8° | 121.0° |
| C5D | C4D | C3D | HC4' | 113.6° | 121.1° |
| C5D | C4D | O4D | C1D | 112.4° | 145.9° |
| C5D | C4D | C3D | O3D | 138.7° | 119.9° |
| C5D | C4D | C3D | C2D | 94.2° | 121.5° |
| C5D | C4D | C3D | H3' | 25.2° | 2.6° |
| H15' | C5D | C4D | O4D | 172.1° | 53.5° |
| H15' | C5D | C4D | C3D | 67.0° | 64.3° |
| H15' | C5D | C4D | HC4' | 52.1° | 174.5° |
| H25' | C5D | C4D | O4D | 62.6° | 173.5° |
| H25' | C5D | C4D | C3D | 176.5° | 55.7° |
| H25' | C5D | C4D | HC4' | 57.4° | 65.4° |
| O4D | C4D | C3D | HC4' | 120.7° | 119.5° |
| O4D | C4D | C3D | O3D | 95.6° | 120.7° |
| O4D | C4D | C3D | C2D | 31.5° | 2.1° |
| O4D | C4D | C3D | H3' | 150.9° | 116.8° |
| C4D | O4D | C1D | C2D | 9.0° | 40.1° |
| C4D | O4D | C1D | N1N | 135.2° | 158.6° |
| C4D | O4D | C1D | H1' | 109.1° | 78.4° |
| C3D | C4D | O4D | C1D | 13.9° | 26.5° |
| C4D | C3D | O3D | C2D | 119.4° | 114.7° |
| C4D | C3D | O3D | H3' | 122.1° | 122.5° |
| C4D | C3D | C2D | H3' | 122.6° | 118.7° |
| C4D | C3D | O3D | HO3' | 180.0° | 179.9° |
| C4D | C3D | C2D | O2D | 161.2° | 139.1° |
| C4D | C3D | C2D | C1D | 35.4° | 20.9° |
| C4D | C3D | C2D | H2' | 84.8° | 97.4° |
| HC4' | C4D | O4D | C1D | 133.8° | 93.1° |
| HC4' | C4D | C3D | O3D | 25.1° | 1.2° |
| HC4' | C4D | C3D | C2D | 152.1° | 117.5° |
| HC4' | C4D | C3D | H3' | 88.4° | 123.7° |
| O4D | C1D | C2D | C3D | 28.2° | 37.0° |
| O4D | C1D | C2D | O2D | 150.3° | 155.3° |
| O4D | C1D | C2D | N1N | 124.4° | 118.5° |
| O4D | C1D | C2D | H1' | 120.1° | 118.5° |
| O4D | C1D | C2D | H2' | 95.9° | 81.2° |
| O4D | C1D | N1N | H1' | 119.9° | 122.9° |
| O4D | C1D | N1N | C2N | 150.2° | 141.4° |
| O4D | C1D | N1N | C6N | 40.9° | 38.3° |
| O3D | C3D | C2D | H3' | 113.2° | 122.6° |
| O3D | C3D | C2D | O2D | 37.0° | 20.4° |
| O3D | C3D | C2D | C1D | 88.8° | 97.8° |
| O3D | C3D | C2D | H2' | 151.0° | 144.0° |
| C2D | C3D | O3D | HO3' | 60.6° | 65.2° |
| C3D | C2D | O2D | C1D | 116.4° | 112.7° |
| C3D | C2D | O2D | H2' | 123.8° | 123.6° |
| C3D | C2D | C1D | H2' | 124.1° | 118.2° |
| C3D | C2D | O2D | HO2' | 180.0° | 61.4° |
| C3D | C2D | C1D | N1N | 152.6° | 155.5° |
| C3D | C2D | C1D | H1' | 91.9° | 81.5° |
| H3' | C3D | O3D | HO3' | 58.0° | 57.5° |
| H3' | C3D | C2D | O2D | 76.2° | 102.2° |
| H3' | C3D | C2D | C1D | 158.0° | 139.6° |
| H3' | C3D | C2D | H2' | 37.8° | 21.4° |
| O2D | C2D | C1D | H2' | 113.8° | 123.6° |
| O2D | C2D | C1D | N1N | 85.3° | 86.3° |
| O2D | C2D | C1D | H1' | 30.1° | 36.7° |
| C1D | C2D | O2D | HO2' | 63.6° | 174.1° |
| C2D | C1D | N1N | H1' | 117.5° | 123.0° |
| C2D | C1D | N1N | C2N | 87.3° | 104.5° |
| C2D | C1D | N1N | C6N | 81.7° | 75.8° |
| H2' | C2D | O2D | HO2' | 56.2° | 62.2° |
| H2' | C2D | C1D | N1N | 28.5° | 37.3° |
| H2' | C2D | C1D | H1' | 144.0° | 160.3° |
| C1D | N1N | C2N | C6N | 169.0° | 179.7° |
| C1D | N1N | C2N | C3N | 169.5° | 180.0° |
| C1D | N1N | C2N | HC2 | 10.5° | 0.0° |
| C1D | N1N | C6N | C5N | 168.4° | 180.0° |
| C1D | N1N | C6N | HC6 | 11.6° | 0.0° |
| H1' | C1D | N1N | C2N | 30.3° | 18.5° |
| H1' | C1D | N1N | C6N | 160.8° | 161.2° |
| N1N | C2N | C3N | HC2 | 180.0° | 180.0° |
| N1N | C2N | C3N | C4N | 0.6° | 0.0° |
| C2N | N1N | C6N | C5N | 0.0° | 0.2° |
| C2N | N1N | C6N | HC6 | 180.0° | 179.7° |
| N1N | C2N | C3N | N7N | 178.9° | 180.0° |
| C6N | N1N | C2N | C3N | 0.4° | 0.3° |
| C6N | N1N | C2N | HC2 | 179.6° | 179.7° |
| N1N | C6N | C5N | C4N | 0.4° | 0.0° |
| N1N | C6N | C5N | HC6 | 180.0° | 180.0° |
| N1N | C6N | C5N | HC5 | 179.7° | 179.7° |
| C2N | C3N | C4N | C5N | 0.3° | 0.2° |
| C2N | C3N | C4N | N7N | 179.5° | 180.0° |
| C2N | C3N | C4N | HC4 | 125.6° | 180.0° |
| C2N | C3N | N7N | HN71 | 180.0° | 0.1° |
| C2N | C3N | N7N | HN72 | 54.7° | 179.9° |
| HC2 | C2N | C3N | C4N | 179.4° | 180.0° |
| HC2 | C2N | C3N | N7N | 1.1° | 0.0° |
| C5N | C4N | C3N | HC4 | 125.2° | 179.8° |
| C4N | C5N | C6N | HC5 | 180.0° | 179.7° |
| C4N | C5N | C6N | HC6 | 179.7° | 180.0° |
| C5N | C4N | C3N | N7N | 179.2° | 179.8° |
| C3N | C4N | C5N | C6N | 0.2° | 0.2° |
| C3N | C4N | C5N | HC5 | 179.8° | 180.0° |
| C4N | C3N | N7N | HN71 | 0.5° | 179.9° |
| C4N | C3N | N7N | HN72 | 124.8° | 0.1° |
| HC4 | C4N | C5N | C6N | 125.0° | 179.9° |
| HC4 | C4N | C5N | HC5 | 55.0° | 0.2° |
| HC4 | C4N | C3N | N7N | 53.9° | 0.0° |
| HC5 | C5N | C6N | HC6 | 0.3° | 0.3° |
| C3N | N7N | HN71 | HN72 | 125.3° | 179.9° |
