NAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.55Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| PA | OPP | sing | 1.61Å | 1.58Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.50Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.49Å | |
| C4' | C3' | sing | 1.54Å | 1.58Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.32Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C2' | sing | 1.55Å | 1.48Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.37Å | |
| C2' | C1' | sing | 1.55Å | 1.61Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N9A | sing | 1.46Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9A | C8A | sing | 1.36Å | 1.39Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.39Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.37Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.49Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.30Å | |
| C6A | N1A | doub | 1.33Å | 1.42Å | Aromatic |
| N6A | H6A1 | sing | 0.97Å | 1.02Å | |
| N6A | H6A2 | sing | 0.97Å | 1.02Å | |
| N1A | C2A | sing | 1.32Å | 1.32Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.41Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.42Å | Aromatic |
| OPP | PN | sing | 1.61Å | 1.61Å | |
| PN | O1N | doub | 1.54Å | 1.43Å | |
| PN | O2N | sing | 1.55Å | 1.51Å | |
| PN | O5B | sing | 1.61Å | 1.62Å | |
| O5B | C5B | sing | 1.43Å | 1.47Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C5B | H5A1 | sing | 1.09Å | 1.12Å | |
| C5B | H5A2 | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.48Å | |
| C4B | C3B | sing | 1.54Å | 1.59Å | |
| C4B | H4B | sing | 1.09Å | 1.12Å | |
| O4B | C1B | sing | 1.44Å | 1.41Å | |
| C3B | O3B | sing | 1.43Å | 1.36Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | H3B | sing | 1.09Å | 1.11Å | |
| O3B | HOA3 | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.39Å | |
| C2B | C1B | sing | 1.55Å | 1.47Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C1B | N1N | sing | 1.47Å | 1.48Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| N1N | C2N | sing | 1.32Å | 1.41Å | Aromatic |
| N1N | C6N | doub | 1.32Å | 1.37Å | Aromatic |
| C2N | C3N | doub | 1.40Å | 1.36Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.10Å | |
| C3N | C7N | sing | 1.48Å | 1.61Å | |
| C3N | C4N | sing | 1.40Å | 1.43Å | Aromatic |
| C7N | O7N | doub | 1.22Å | 1.24Å | |
| C7N | N7N | sing | 1.35Å | 1.38Å | |
| N7N | H7N1 | sing | 0.97Å | 1.02Å | |
| N7N | H7N2 | sing | 0.97Å | 1.02Å | |
| C4N | C5N | doub | 1.38Å | 1.46Å | Aromatic |
| C4N | C4P | sing | 1.51Å | 1.56Å | |
| C5N | C6N | sing | 1.38Å | 1.38Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.10Å | |
| C6N | H6N | sing | 1.08Å | 1.10Å | |
| C4P | C3P | sing | 1.51Å | 1.53Å | |
| C4P | H4P1 | sing | 1.09Å | 1.11Å | |
| C4P | H4P2 | sing | 1.09Å | 1.11Å | |
| C3P | OP | doub | 1.21Å | 1.35Å | |
| C3P | C2P | sing | 1.51Å | 1.52Å | |
| C2P | H2P1 | sing | 1.09Å | 1.12Å | |
| C2P | H2P2 | sing | 1.09Å | 1.11Å | |
| C2P | H2P3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 123.8° | 109.5° |
| O1A | PA | O5' | 107.5° | 109.5° |
| O1A | PA | OPP | 108.7° | 109.5° |
| O2A | PA | O5' | 105.8° | 109.5° |
| O2A | PA | OPP | 108.5° | 109.5° |
| PA | O2A | HOA2 | 123.7° | 106.8° |
| O5' | PA | OPP | 99.9° | 109.5° |
| PA | O5' | C5' | 116.9° | 106.8° |
| PA | OPP | PN | 136.0° | 106.8° |
| O5' | C5' | C4' | 103.7° | 109.5° |
| O5' | C5' | H5'1 | 114.4° | 109.5° |
| O5' | C5' | H5'2 | 114.4° | 109.5° |
| C4' | C5' | H5'1 | 114.4° | 109.5° |
| C4' | C5' | H5'2 | 114.4° | 109.4° |
| C5' | C4' | O4' | 103.2° | 109.9° |
| C5' | C4' | C3' | 109.2° | 109.9° |
| C5' | C4' | H4' | 112.2° | 109.8° |
| H5'1 | C5' | H5'2 | 96.1° | 109.5° |
| O4' | C4' | C3' | 104.8° | 107.4° |
| O4' | C4' | H4' | 116.1° | 109.9° |
| C4' | O4' | C1' | 107.5° | 107.0° |
| C3' | C4' | H4' | 110.8° | 109.9° |
| C4' | C3' | O3' | 108.2° | 110.8° |
| C4' | C3' | C2' | 104.8° | 104.0° |
| C4' | C3' | H3' | 113.8° | 110.5° |
| O4' | C1' | C2' | 109.6° | 103.5° |
| O4' | C1' | N9A | 114.6° | 110.6° |
| O4' | C1' | H1' | 104.7° | 110.7° |
| O3' | C3' | C2' | 111.1° | 110.5° |
| O3' | C3' | H3' | 107.8° | 110.4° |
| C3' | O3' | HO'3 | 108.2° | 106.8° |
| C2' | C3' | H3' | 111.0° | 110.5° |
| C3' | C2' | O2' | 120.9° | 110.9° |
| C3' | C2' | C1' | 96.3° | 102.1° |
| C3' | C2' | H2' | 113.7° | 111.0° |
| O2' | C2' | C1' | 116.0° | 110.9° |
| O2' | C2' | H2' | 93.0° | 110.7° |
| C2' | O2' | HO'2 | 120.9° | 106.8° |
| C1' | C2' | H2' | 118.9° | 110.9° |
| C2' | C1' | N9A | 105.8° | 110.7° |
| C2' | C1' | H1' | 113.8° | 110.6° |
| N9A | C1' | H1' | 108.6° | 110.5° |
| C1' | N9A | C8A | 131.3° | 126.3° |
| C1' | N9A | C4A | 126.2° | 126.3° |
| C8A | N9A | C4A | 102.4° | 107.4° |
| N9A | C8A | N7A | 113.9° | 110.0° |
| N9A | C8A | H8A | 125.5° | 125.0° |
| N9A | C4A | C5A | 109.6° | 106.0° |
| N9A | C4A | N3A | 125.6° | 134.9° |
| N7A | C8A | H8A | 120.6° | 125.0° |
| C8A | N7A | C5A | 107.1° | 109.5° |
| N7A | C5A | C6A | 133.6° | 134.7° |
| N7A | C5A | C4A | 106.9° | 107.2° |
| C6A | C5A | C4A | 119.5° | 118.1° |
| C5A | C6A | N6A | 128.7° | 120.8° |
| C5A | C6A | N1A | 112.5° | 118.5° |
| C5A | C4A | N3A | 124.7° | 119.1° |
| N6A | C6A | N1A | 118.8° | 120.8° |
| C6A | N6A | H6A1 | 128.7° | 120.0° |
| C6A | N6A | H6A2 | 105.5° | 120.0° |
| C6A | N1A | C2A | 125.9° | 121.2° |
| H6A1 | N6A | H6A2 | 105.5° | 120.0° |
| N1A | C2A | N3A | 123.9° | 122.5° |
| N1A | C2A | H2A | 114.5° | 118.8° |
| N3A | C2A | H2A | 121.6° | 118.7° |
| C2A | N3A | C4A | 113.5° | 120.6° |
| OPP | PN | O1N | 110.6° | 109.5° |
| OPP | PN | O2N | 108.8° | 109.5° |
| OPP | PN | O5B | 99.2° | 109.5° |
| O1N | PN | O2N | 122.1° | 109.5° |
| O1N | PN | O5B | 110.5° | 109.5° |
| O2N | PN | O5B | 102.9° | 109.4° |
| PN | O5B | C5B | 121.8° | 106.8° |
| O5B | C5B | C4B | 108.8° | 109.5° |
| O5B | C5B | H5A1 | 112.5° | 109.5° |
| O5B | C5B | H5A2 | 112.5° | 109.4° |
| C4B | C5B | H5A1 | 112.4° | 109.5° |
| C4B | C5B | H5A2 | 112.5° | 109.5° |
| C5B | C4B | O4B | 109.2° | 110.4° |
| C5B | C4B | C3B | 110.5° | 110.5° |
| C5B | C4B | H4B | 106.6° | 110.3° |
| H5A1 | C5B | H5A2 | 98.0° | 109.5° |
| O4B | C4B | C3B | 101.0° | 104.8° |
| O4B | C4B | H4B | 115.4° | 110.3° |
| C4B | O4B | C1B | 111.7° | 105.3° |
| C3B | C4B | H4B | 114.1° | 110.4° |
| C4B | C3B | O3B | 106.9° | 110.5° |
| C4B | C3B | C2B | 106.1° | 104.1° |
| C4B | C3B | H3B | 114.8° | 110.5° |
| O4B | C1B | C2B | 109.4° | 104.9° |
| O4B | C1B | N1N | 109.1° | 110.4° |
| O4B | C1B | H1B | 117.1° | 110.4° |
| O3B | C3B | C2B | 113.5° | 110.5° |
| O3B | C3B | H3B | 107.5° | 110.4° |
| C3B | O3B | HOA3 | 106.9° | 106.8° |
| C2B | C3B | H3B | 108.3° | 110.6° |
| C3B | C2B | O2B | 110.4° | 110.5° |
| C3B | C2B | C1B | 101.5° | 103.9° |
| C3B | C2B | H2B | 118.5° | 110.5° |
| O2B | C2B | C1B | 120.2° | 110.8° |
| O2B | C2B | H2B | 99.0° | 110.5° |
| C2B | O2B | HOB2 | 110.4° | 106.8° |
| C1B | C2B | H2B | 108.3° | 110.4° |
| C2B | C1B | N1N | 124.0° | 110.4° |
| C2B | C1B | H1B | 98.3° | 110.3° |
| N1N | C1B | H1B | 98.7° | 110.3° |
| C1B | N1N | C2N | 124.8° | 119.1° |
| C1B | N1N | C6N | 113.6° | 119.0° |
| C2N | N1N | C6N | 121.2° | 121.9° |
| N1N | C2N | C3N | 115.9° | 120.5° |
| N1N | C2N | H2N | 123.6° | 119.7° |
| N1N | C6N | C5N | 120.2° | 121.1° |
| N1N | C6N | H6N | 119.7° | 119.5° |
| C3N | C2N | H2N | 120.5° | 119.7° |
| C2N | C3N | C7N | 111.2° | 120.5° |
| C2N | C3N | C4N | 127.2° | 118.9° |
| C7N | C3N | C4N | 120.7° | 120.6° |
| C3N | C7N | O7N | 117.8° | 120.0° |
| C3N | C7N | N7N | 119.3° | 120.0° |
| C3N | C4N | C5N | 110.1° | 118.3° |
| C3N | C4N | C4P | 112.5° | 120.9° |
| O7N | C7N | N7N | 122.9° | 120.0° |
| C7N | N7N | H7N1 | 122.8° | 120.0° |
| C7N | N7N | H7N2 | 119.3° | 120.0° |
| H7N1 | N7N | H7N2 | 117.8° | 120.0° |
| C5N | C4N | C4P | 109.3° | 120.8° |
| C4N | C5N | C6N | 122.7° | 119.3° |
| C4N | C5N | H5N | 121.7° | 120.4° |
| C4N | C4P | C3P | 112.6° | 109.4° |
| C4N | C4P | H4P1 | 111.1° | 109.5° |
| C4N | C4P | H4P2 | 111.1° | 109.4° |
| C6N | C5N | H5N | 115.6° | 120.3° |
| C5N | C6N | H6N | 120.1° | 119.5° |
| C3P | C4P | H4P1 | 111.0° | 109.5° |
| C3P | C4P | H4P2 | 111.0° | 109.5° |
| C4P | C3P | OP | 116.6° | 120.0° |
| C4P | C3P | C2P | 123.4° | 120.0° |
| H4P1 | C4P | H4P2 | 99.3° | 109.5° |
| OP | C3P | C2P | 120.0° | 120.0° |
| C3P | C2P | H2P1 | 123.3° | 109.4° |
| C3P | C2P | H2P2 | 107.3° | 109.4° |
| C3P | C2P | H2P3 | 107.3° | 109.4° |
| H2P1 | C2P | H2P2 | 107.3° | 109.5° |
| H2P1 | C2P | H2P3 | 107.3° | 109.5° |
| H2P2 | C2P | H2P3 | 102.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5' | 124.4° | 120.0° |
| O1A | PA | O2A | OPP | 129.1° | 120.0° |
| O1A | PA | O5' | OPP | 113.4° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 13.3° | 55.0° |
| O1A | PA | OPP | PN | 172.8° | 40.0° |
| O2A | PA | O5' | OPP | 112.6° | 120.0° |
| O2A | PA | O5' | C5' | 147.3° | 65.0° |
| O2A | PA | OPP | PN | 50.1° | 80.0° |
| O5' | PA | O2A | HOA2 | 55.6° | 60.0° |
| PA | O5' | C5' | C4' | 170.7° | 180.0° |
| PA | O5' | C5' | H5'1 | 64.1° | 60.0° |
| PA | O5' | C5' | H5'2 | 45.4° | 60.0° |
| O5' | PA | OPP | PN | 60.4° | 160.0° |
| OPP | PA | O2A | HOA2 | 50.9° | 60.0° |
| OPP | PA | O5' | C5' | 100.0° | 175.0° |
| PA | OPP | PN | O1N | 128.6° | 80.0° |
| PA | OPP | PN | O2N | 8.2° | 40.0° |
| PA | OPP | PN | O5B | 115.3° | 160.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 161.0° | 66.7° |
| O5' | C5' | C4' | C3' | 87.9° | 175.3° |
| O5' | C5' | C4' | H4' | 35.3° | 54.3° |
| C4' | C5' | H5'1 | H5'2 | 120.2° | 120.0° |
| C5' | C4' | O4' | C3' | 114.3° | 119.5° |
| C5' | C4' | O4' | H4' | 123.1° | 121.0° |
| C5' | C4' | C3' | H4' | 124.1° | 121.0° |
| C5' | C4' | O4' | C1' | 119.1° | 146.0° |
| C5' | C4' | C3' | O3' | 153.9° | 119.8° |
| C5' | C4' | C3' | C2' | 87.4° | 121.4° |
| C5' | C4' | C3' | H3' | 34.1° | 2.8° |
| H5'1 | C5' | C4' | O4' | 35.7° | 53.3° |
| H5'1 | C5' | C4' | C3' | 146.8° | 64.7° |
| H5'1 | C5' | C4' | H4' | 90.0° | 174.3° |
| H5'2 | C5' | C4' | O4' | 73.8° | 173.3° |
| H5'2 | C5' | C4' | C3' | 37.3° | 55.3° |
| H5'2 | C5' | C4' | H4' | 160.6° | 65.7° |
| O4' | C4' | C3' | H4' | 125.9° | 119.6° |
| O4' | C4' | C3' | O3' | 96.1° | 120.7° |
| O4' | C4' | C3' | C2' | 22.6° | 1.9° |
| O4' | C4' | C3' | H3' | 144.1° | 116.7° |
| C4' | O4' | C1' | C2' | 29.0° | 40.1° |
| C4' | O4' | C1' | N9A | 147.7° | 158.7° |
| C4' | O4' | C1' | H1' | 93.4° | 78.4° |
| C3' | C4' | O4' | C1' | 4.8° | 26.5° |
| C4' | C3' | O3' | C2' | 114.6° | 114.7° |
| C4' | C3' | O3' | H3' | 123.5° | 122.7° |
| C4' | C3' | C2' | H3' | 123.3° | 118.6° |
| C4' | C3' | O3' | HO'3 | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 160.5° | 139.2° |
| C4' | C3' | C2' | C1' | 35.1° | 21.0° |
| C4' | C3' | C2' | H2' | 90.3° | 97.3° |
| H4' | C4' | O4' | C1' | 117.7° | 93.1° |
| H4' | C4' | C3' | O3' | 29.8° | 1.1° |
| H4' | C4' | C3' | C2' | 148.5° | 117.6° |
| H4' | C4' | C3' | H3' | 90.0° | 123.8° |
| O4' | C1' | C2' | C3' | 41.8° | 37.1° |
| O4' | C1' | C2' | O2' | 170.7° | 155.3° |
| O4' | C1' | C2' | N9A | 124.1° | 118.6° |
| O4' | C1' | C2' | H1' | 116.8° | 118.5° |
| O4' | C1' | C2' | H2' | 79.7° | 81.2° |
| O4' | C1' | N9A | H1' | 116.7° | 122.9° |
| O4' | C1' | N9A | C8A | 52.7° | 23.5° |
| O4' | C1' | N9A | C4A | 130.5° | 156.7° |
| O3' | C3' | C2' | H3' | 120.0° | 122.5° |
| O3' | C3' | C2' | O2' | 43.9° | 20.3° |
| O3' | C3' | C2' | C1' | 81.6° | 98.0° |
| O3' | C3' | C2' | H2' | 153.1° | 143.8° |
| C2' | C3' | O3' | HO'3 | 65.4° | 61.5° |
| C3' | C2' | O2' | C1' | 115.7° | 112.7° |
| C3' | C2' | O2' | H2' | 120.0° | 123.7° |
| C3' | C2' | C1' | H2' | 121.5° | 118.3° |
| C3' | C2' | O2' | HO'2 | 180.0° | 67.3° |
| C3' | C2' | C1' | N9A | 165.9° | 155.7° |
| C3' | C2' | C1' | H1' | 75.0° | 81.4° |
| H3' | C3' | O3' | HO'3 | 56.5° | 61.1° |
| H3' | C3' | C2' | O2' | 76.2° | 102.3° |
| H3' | C3' | C2' | C1' | 158.4° | 139.5° |
| H3' | C3' | C2' | H2' | 33.0° | 21.3° |
| O2' | C2' | C1' | H2' | 109.5° | 123.5° |
| O2' | C2' | C1' | N9A | 65.2° | 86.1° |
| O2' | C2' | C1' | H1' | 53.9° | 36.8° |
| C1' | C2' | O2' | HO'2 | 64.3° | 180.0° |
| C2' | C1' | N9A | H1' | 122.5° | 122.9° |
| C2' | C1' | N9A | C8A | 68.1° | 90.6° |
| C2' | C1' | N9A | C4A | 108.7° | 89.1° |
| H2' | C2' | O2' | HO'2 | 60.0° | 56.4° |
| H2' | C2' | C1' | N9A | 44.3° | 37.4° |
| H2' | C2' | C1' | H1' | 163.5° | 160.3° |
| C1' | N9A | C8A | C4A | 177.3° | 179.8° |
| C1' | N9A | C8A | N7A | 178.1° | 180.0° |
| C1' | N9A | C8A | H8A | 2.0° | 0.0° |
| C1' | N9A | C4A | C5A | 178.6° | 179.9° |
| C1' | N9A | C4A | N3A | 2.8° | 0.7° |
| H1' | C1' | N9A | C8A | 169.4° | 146.5° |
| H1' | C1' | N9A | C4A | 13.8° | 33.8° |
| N9A | C8A | N7A | H8A | 179.9° | 180.0° |
| N9A | C8A | N7A | C5A | 0.1° | 0.1° |
| C8A | N9A | C4A | C5A | 1.1° | 0.3° |
| C8A | N9A | C4A | N3A | 179.7° | 179.5° |
| C4A | N9A | C8A | N7A | 0.7° | 0.3° |
| C4A | N9A | C8A | H8A | 179.3° | 179.8° |
| N9A | C4A | C5A | N7A | 1.1° | 0.3° |
| N9A | C4A | C5A | C6A | 179.7° | 179.8° |
| N9A | C4A | C5A | N3A | 178.6° | 179.4° |
| N9A | C4A | N3A | C2A | 179.2° | 179.6° |
| C8A | N7A | C5A | C6A | 179.7° | 180.0° |
| C8A | N7A | C5A | C4A | 0.7° | 0.2° |
| H8A | C8A | N7A | C5A | 180.0° | 180.0° |
| N7A | C5A | C6A | C4A | 178.9° | 179.8° |
| N7A | C5A | C6A | N6A | 1.0° | 0.1° |
| N7A | C5A | C6A | N1A | 179.6° | 180.0° |
| N7A | C5A | C4A | N3A | 179.8° | 179.7° |
| C5A | C6A | N6A | N1A | 179.4° | 179.9° |
| C5A | C6A | N6A | H6A1 | 179.9° | 0.0° |
| C5A | C6A | N6A | H6A2 | 54.7° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.1° |
| C6A | C5A | C4A | N3A | 1.0° | 0.4° |
| C4A | C5A | C6A | N6A | 179.9° | 179.7° |
| C4A | C5A | C6A | N1A | 0.6° | 0.2° |
| C5A | C4A | N3A | C2A | 0.8° | 0.5° |
| C6A | N6A | H6A1 | H6A2 | 125.3° | 180.0° |
| N6A | C6A | N1A | C2A | 179.6° | 180.0° |
| N1A | C6A | N6A | H6A1 | 0.5° | 179.9° |
| N1A | C6A | N6A | H6A2 | 125.8° | 0.1° |
| C6A | N1A | C2A | N3A | 0.2° | 0.1° |
| C6A | N1A | C2A | H2A | 179.8° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.1° | 0.2° |
| H2A | C2A | N3A | C4A | 179.9° | 179.7° |
| OPP | PN | O1N | O2N | 130.0° | 120.0° |
| OPP | PN | O1N | O5B | 108.9° | 120.0° |
| OPP | PN | O2N | O5B | 104.6° | 120.0° |
| OPP | PN | O5B | C5B | 115.7° | 175.0° |
| O1N | PN | O2N | O5B | 124.7° | 120.0° |
| O1N | PN | O5B | C5B | 128.1° | 65.0° |
| O2N | PN | O5B | C5B | 3.8° | 55.0° |
| PN | O5B | C5B | C4B | 157.5° | 180.0° |
| PN | O5B | C5B | H5A1 | 77.3° | 60.0° |
| PN | O5B | C5B | H5A2 | 32.2° | 60.0° |
| O5B | C5B | C4B | H5A1 | 125.3° | 120.0° |
| O5B | C5B | C4B | H5A2 | 125.3° | 120.0° |
| O5B | C5B | H5A1 | H5A2 | 118.5° | 120.0° |
| O5B | C5B | C4B | O4B | 55.6° | 66.4° |
| O5B | C5B | C4B | C3B | 54.7° | 178.1° |
| O5B | C5B | C4B | H4B | 179.2° | 55.8° |
| C4B | C5B | H5A1 | H5A2 | 118.4° | 120.0° |
| C5B | C4B | O4B | C3B | 116.4° | 119.0° |
| C5B | C4B | O4B | H4B | 120.0° | 122.2° |
| C5B | C4B | C3B | H4B | 120.1° | 122.3° |
| C5B | C4B | O4B | C1B | 116.1° | 159.5° |
| C5B | C4B | C3B | O3B | 142.7° | 98.3° |
| C5B | C4B | C3B | C2B | 96.0° | 143.0° |
| C5B | C4B | C3B | H3B | 23.6° | 24.2° |
| H5A1 | C5B | C4B | O4B | 179.2° | 173.6° |
| H5A1 | C5B | C4B | C3B | 70.6° | 58.1° |
| H5A1 | C5B | C4B | H4B | 53.9° | 64.2° |
| H5A2 | C5B | C4B | O4B | 69.7° | 53.6° |
| H5A2 | C5B | C4B | C3B | 180.0° | 61.9° |
| H5A2 | C5B | C4B | H4B | 55.5° | 175.8° |
| O4B | C4B | C3B | H4B | 124.4° | 118.8° |
| O4B | C4B | C3B | O3B | 101.9° | 142.8° |
| O4B | C4B | C3B | C2B | 19.5° | 24.0° |
| O4B | C4B | C3B | H3B | 139.0° | 94.7° |
| C4B | O4B | C1B | C2B | 20.1° | 40.4° |
| C4B | O4B | C1B | N1N | 158.7° | 159.3° |
| C4B | O4B | C1B | H1B | 90.4° | 78.4° |
| C3B | C4B | O4B | C1B | 0.3° | 40.5° |
| C4B | C3B | O3B | C2B | 116.5° | 114.7° |
| C4B | C3B | O3B | H3B | 123.7° | 122.6° |
| C4B | C3B | C2B | H3B | 123.7° | 118.7° |
| C4B | C3B | O3B | HOA3 | 180.0° | 180.0° |
| C4B | C3B | C2B | O2B | 159.1° | 118.8° |
| C4B | C3B | C2B | C1B | 30.6° | 0.1° |
| C4B | C3B | C2B | H2B | 87.8° | 118.6° |
| H4B | C4B | O4B | C1B | 123.8° | 78.3° |
| H4B | C4B | C3B | O3B | 22.5° | 24.0° |
| H4B | C4B | C3B | C2B | 143.9° | 94.7° |
| H4B | C4B | C3B | H3B | 96.6° | 146.5° |
| O4B | C1B | C2B | C3B | 31.3° | 23.8° |
| O4B | C1B | C2B | O2B | 153.3° | 142.6° |
| O4B | C1B | C2B | N1N | 131.0° | 118.9° |
| O4B | C1B | C2B | H1B | 122.6° | 118.9° |
| O4B | C1B | C2B | H2B | 94.1° | 94.7° |
| O4B | C1B | N1N | H1B | 122.7° | 122.3° |
| O4B | C1B | N1N | C2N | 72.9° | 142.9° |
| O4B | C1B | N1N | C6N | 100.2° | 37.0° |
| O3B | C3B | C2B | H3B | 119.3° | 122.6° |
| O3B | C3B | C2B | O2B | 42.1° | 0.1° |
| O3B | C3B | C2B | C1B | 86.5° | 118.8° |
| O3B | C3B | C2B | H2B | 155.2° | 122.7° |
| C2B | C3B | O3B | HOA3 | 63.5° | 65.3° |
| C3B | C2B | O2B | C1B | 117.5° | 114.6° |
| C3B | C2B | O2B | H2B | 125.1° | 122.7° |
| C3B | C2B | C1B | H2B | 125.5° | 118.5° |
| C3B | C2B | O2B | HOB2 | 180.0° | 61.5° |
| C3B | C2B | C1B | N1N | 162.3° | 142.8° |
| C3B | C2B | C1B | H1B | 91.2° | 95.1° |
| H3B | C3B | O3B | HOA3 | 56.3° | 57.4° |
| H3B | C3B | C2B | O2B | 77.2° | 122.5° |
| H3B | C3B | C2B | C1B | 154.3° | 118.6° |
| H3B | C3B | C2B | H2B | 35.9° | 0.2° |
| O2B | C2B | C1B | H2B | 112.6° | 122.8° |
| O2B | C2B | C1B | N1N | 75.7° | 98.5° |
| O2B | C2B | C1B | H1B | 30.7° | 23.7° |
| C1B | C2B | O2B | HOB2 | 62.5° | 176.1° |
| C2B | C1B | N1N | H1B | 106.2° | 122.2° |
| C2B | C1B | N1N | C2N | 58.1° | 101.5° |
| C2B | C1B | N1N | C6N | 128.8° | 78.5° |
| H2B | C2B | O2B | HOB2 | 55.0° | 61.2° |
| H2B | C2B | C1B | N1N | 36.8° | 24.3° |
| H2B | C2B | C1B | H1B | 143.3° | 146.4° |
| C1B | N1N | C2N | C6N | 172.6° | 180.0° |
| C1B | N1N | C2N | C3N | 167.0° | 179.7° |
| C1B | N1N | C2N | H2N | 13.1° | 0.0° |
| C1B | N1N | C6N | C5N | 167.8° | 180.0° |
| C1B | N1N | C6N | H6N | 12.2° | 0.1° |
| H1B | C1B | N1N | C2N | 164.4° | 20.6° |
| H1B | C1B | N1N | C6N | 22.5° | 159.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.7° |
| N1N | C2N | C3N | C7N | 177.8° | 180.0° |
| N1N | C2N | C3N | C4N | 13.1° | 0.5° |
| C2N | N1N | C6N | C5N | 5.6° | 0.0° |
| C2N | N1N | C6N | H6N | 174.4° | 179.9° |
| C6N | N1N | C2N | C3N | 5.6° | 0.2° |
| C6N | N1N | C2N | H2N | 174.3° | 180.0° |
| N1N | C6N | C5N | C4N | 12.0° | 0.1° |
| N1N | C6N | C5N | H6N | 180.0° | 179.9° |
| N1N | C6N | C5N | H5N | 168.0° | 179.9° |
| C2N | C3N | C7N | C4N | 169.9° | 179.5° |
| C2N | C3N | C7N | O7N | 165.5° | 180.0° |
| C2N | C3N | C7N | N7N | 14.8° | 0.1° |
| C2N | C3N | C4N | C5N | 17.9° | 0.5° |
| C2N | C3N | C4N | C4P | 104.2° | 179.8° |
| H2N | C2N | C3N | C7N | 2.2° | 0.2° |
| H2N | C2N | C3N | C4N | 166.9° | 179.8° |
| C3N | C7N | O7N | N7N | 179.7° | 179.9° |
| C3N | C7N | N7N | H7N1 | 0.3° | 0.1° |
| C3N | C7N | N7N | H7N2 | 179.9° | 180.0° |
| C7N | C3N | C4N | C5N | 173.9° | 180.0° |
| C7N | C3N | C4N | C4P | 63.9° | 0.2° |
| C4N | C3N | C7N | O7N | 4.4° | 0.5° |
| C4N | C3N | C7N | N7N | 175.3° | 179.4° |
| C3N | C4N | C5N | C4P | 124.1° | 179.8° |
| C3N | C4N | C5N | C6N | 16.7° | 0.2° |
| C3N | C4N | C5N | H5N | 163.3° | 179.8° |
| C3N | C4N | C4P | C3P | 49.9° | 84.8° |
| C3N | C4N | C4P | H4P1 | 175.1° | 35.3° |
| C3N | C4N | C4P | H4P2 | 75.4° | 155.3° |
| O7N | C7N | N7N | H7N1 | 180.0° | 180.0° |
| O7N | C7N | N7N | H7N2 | 0.3° | 0.1° |
| C7N | N7N | H7N1 | H7N2 | 179.6° | 179.9° |
| C4N | C5N | C6N | H5N | 180.0° | 180.0° |
| C4N | C5N | C6N | H6N | 167.9° | 180.0° |
| C5N | C4N | C4P | C3P | 72.7° | 95.0° |
| C5N | C4N | C4P | H4P1 | 52.5° | 145.0° |
| C5N | C4N | C4P | H4P2 | 162.0° | 25.0° |
| C4P | C4N | C5N | C6N | 107.4° | 180.0° |
| C4P | C4N | C5N | H5N | 72.6° | 0.0° |
| C4N | C4P | C3P | H4P1 | 125.2° | 120.0° |
| C4N | C4P | C3P | H4P2 | 125.3° | 119.9° |
| C4N | C4P | H4P1 | H4P2 | 117.0° | 120.0° |
| C4N | C4P | C3P | OP | 60.6° | 0.0° |
| C4N | C4P | C3P | C2P | 118.2° | 180.0° |
| H5N | C5N | C6N | H6N | 12.0° | 0.0° |
| C3P | C4P | H4P1 | H4P2 | 116.9° | 120.0° |
| C4P | C3P | OP | C2P | 178.8° | 180.0° |
| C4P | C3P | C2P | H2P1 | 180.0° | 179.9° |
| C4P | C3P | C2P | H2P2 | 54.8° | 60.0° |
| C4P | C3P | C2P | H2P3 | 54.8° | 60.0° |
| H4P1 | C4P | C3P | OP | 64.7° | 120.0° |
| H4P1 | C4P | C3P | C2P | 116.6° | 60.0° |
| H4P2 | C4P | C3P | OP | 174.2° | 120.0° |
| H4P2 | C4P | C3P | C2P | 7.1° | 60.0° |
| OP | C3P | C2P | H2P1 | 1.3° | 0.0° |
| OP | C3P | C2P | H2P2 | 126.5° | 120.1° |
| OP | C3P | C2P | H2P3 | 123.9° | 120.0° |
| C3P | C2P | H2P1 | H2P2 | 125.2° | 120.0° |
| C3P | C2P | H2P1 | H2P3 | 125.2° | 119.9° |
| C3P | C2P | H2P2 | H2P3 | 112.8° | 119.9° |
| H2P1 | C2P | H2P2 | H2P3 | 112.9° | 120.0° |
