N1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | N7 | sing | 1.39Å | 1.31Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.41Å | 1.32Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.33Å | Aromatic |
| C5 | N6 | doub | 1.33Å | 1.32Å | Aromatic |
| C5 | CN4 | sing | 1.42Å | 1.34Å | Aromatic |
| N7 | HN71 | sing | 0.97Å | 1.00Å | |
| N7 | HN72 | sing | 0.97Å | 1.00Å | |
| N3 | C8 | sing | 1.38Å | 1.33Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CN4 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| CN4 | HN4 | sing | 1.08Å | 1.08Å | |
| C8 | C1' | sing | 1.48Å | 1.41Å | Aromatic |
| C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | CV' | sing | 1.51Å | 1.53Å | |
| C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
| CV' | CW' | sing | 1.51Å | 1.53Å | |
| CV' | H311 | sing | 1.09Å | 1.10Å | |
| CV' | H312 | sing | 1.09Å | 1.10Å | |
| CW' | OX' | sing | 1.34Å | 1.22Å | |
| CW' | OY' | doub | 1.21Å | 1.22Å | |
| OX' | H33' | sing | 0.97Å | 0.95Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.40Å | 1.41Å | Aromatic |
| C5' | C1B | sing | 1.48Å | 1.40Å | Aromatic |
| C6' | O6' | sing | 1.36Å | 1.37Å | |
| O6' | H6' | sing | 0.97Å | 0.95Å | |
| C1B | C2B | doub | 1.39Å | 1.40Å | Aromatic |
| C1B | C6B | sing | 1.39Å | 1.43Å | Aromatic |
| C2B | C3B | sing | 1.38Å | 1.39Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| C3B | C4B | doub | 1.38Å | 1.39Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C4B | C5B | sing | 1.38Å | 1.38Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | N5B | sing | 1.48Å | 1.33Å | |
| C5B | C6B | doub | 1.38Å | 1.40Å | Aromatic |
| N5B | O51 | sing | 1.22Å | 1.46Å | |
| N5B | O52 | doub | 1.22Å | 1.53Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N6 | 116.4° | 121.1° |
| C2 | C1 | N7 | 121.0° | 119.4° |
| C1 | C2 | C3 | 121.8° | 119.6° |
| C1 | C2 | H2 | 119.1° | 120.2° |
| N6 | C1 | N7 | 122.6° | 119.4° |
| C1 | N6 | C5 | 123.6° | 121.4° |
| C1 | N7 | HN71 | 109.5° | 120.0° |
| C1 | N7 | HN72 | 109.5° | 120.0° |
| C3 | C2 | H2 | 119.1° | 120.2° |
| C2 | C3 | C4 | 114.8° | 118.4° |
| C2 | C3 | H3 | 122.6° | 120.7° |
| C4 | C3 | H3 | 122.6° | 120.8° |
| C3 | C4 | C5 | 124.9° | 119.2° |
| C3 | C4 | N3 | 130.0° | 133.3° |
| C5 | C4 | N3 | 105.1° | 107.5° |
| C4 | C5 | N6 | 118.5° | 120.3° |
| C4 | C5 | CN4 | 111.7° | 106.7° |
| C4 | N3 | C8 | 112.5° | 108.7° |
| C4 | N3 | HN3 | 123.7° | 125.7° |
| N6 | C5 | CN4 | 129.8° | 133.1° |
| C5 | CN4 | C8 | 106.0° | 107.9° |
| C5 | CN4 | HN4 | 127.0° | 126.1° |
| HN71 | N7 | HN72 | 109.5° | 120.0° |
| C8 | N3 | HN3 | 123.8° | 125.6° |
| N3 | C8 | CN4 | 104.7° | 109.2° |
| N3 | C8 | C1' | 120.3° | 125.4° |
| C8 | CN4 | HN4 | 127.0° | 126.0° |
| CN4 | C8 | C1' | 135.0° | 125.4° |
| C8 | C1' | C2' | 120.6° | 120.1° |
| C8 | C1' | C6' | 122.8° | 120.1° |
| C2' | C1' | C6' | 116.6° | 119.8° |
| C1' | C2' | C3' | 122.2° | 120.2° |
| C1' | C2' | H2' | 118.9° | 119.9° |
| C1' | C6' | C5' | 123.2° | 119.6° |
| C1' | C6' | O6' | 116.6° | 120.2° |
| C3' | C2' | H2' | 118.9° | 119.9° |
| C2' | C3' | CV' | 120.1° | 119.8° |
| C2' | C3' | C4' | 119.4° | 120.4° |
| CV' | C3' | C4' | 120.5° | 119.8° |
| C3' | CV' | CW' | 109.4° | 109.5° |
| C3' | CV' | H311 | 109.5° | 109.4° |
| C3' | CV' | H312 | 109.5° | 109.5° |
| C3' | C4' | C5' | 121.5° | 120.3° |
| C3' | C4' | H4' | 119.3° | 119.9° |
| CW' | CV' | H311 | 109.5° | 109.5° |
| CW' | CV' | H312 | 109.5° | 109.5° |
| CV' | CW' | OX' | 116.0° | 120.0° |
| CV' | CW' | OY' | 115.9° | 120.0° |
| H311 | CV' | H312 | 109.4° | 109.5° |
| OX' | CW' | OY' | 128.1° | 120.0° |
| CW' | OX' | H33' | 109.5° | 120.0° |
| C5' | C4' | H4' | 119.2° | 119.9° |
| C4' | C5' | C6' | 117.1° | 119.8° |
| C4' | C5' | C1B | 119.6° | 120.1° |
| C6' | C5' | C1B | 123.3° | 120.1° |
| C5' | C6' | O6' | 120.2° | 120.2° |
| C5' | C1B | C2B | 120.5° | 120.1° |
| C5' | C1B | C6B | 122.0° | 120.1° |
| C6' | O6' | H6' | 109.5° | 106.8° |
| C2B | C1B | C6B | 117.5° | 119.8° |
| C1B | C2B | C3B | 120.5° | 119.9° |
| C1B | C2B | H2B | 119.8° | 120.1° |
| C1B | C6B | C5B | 122.1° | 119.8° |
| C1B | C6B | H6B | 118.9° | 120.1° |
| C3B | C2B | H2B | 119.7° | 120.0° |
| C2B | C3B | C4B | 120.7° | 120.1° |
| C2B | C3B | H3B | 119.6° | 119.9° |
| C4B | C3B | H3B | 119.6° | 119.9° |
| C3B | C4B | C5B | 121.4° | 120.2° |
| C3B | C4B | H4B | 119.3° | 119.9° |
| C5B | C4B | H4B | 119.3° | 119.9° |
| C4B | C5B | N5B | 119.8° | 119.9° |
| C4B | C5B | C6B | 117.7° | 120.2° |
| N5B | C5B | C6B | 122.5° | 119.9° |
| C5B | N5B | O51 | 121.8° | 120.0° |
| C5B | N5B | O52 | 122.6° | 120.0° |
| C5B | C6B | H6B | 119.0° | 120.1° |
| O51 | N5B | O52 | 115.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N6 | N7 | 179.4° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | N6 | C5 | 0.1° | 0.5° |
| C2 | C1 | N7 | HN71 | 8.9° | 0.0° |
| C2 | C1 | N7 | HN72 | 111.1° | 179.8° |
| N6 | C1 | C2 | C3 | 0.0° | 0.3° |
| N6 | C1 | C2 | H2 | 180.0° | 179.8° |
| C1 | N6 | C5 | C4 | 0.0° | 0.5° |
| C1 | N6 | C5 | CN4 | 179.7° | 179.7° |
| N6 | C1 | N7 | HN71 | 170.5° | 179.7° |
| N6 | C1 | N7 | HN72 | 69.5° | 0.5° |
| N7 | C1 | C2 | C3 | 179.4° | 180.0° |
| N7 | C1 | C2 | H2 | 0.6° | 0.1° |
| N7 | C1 | N6 | C5 | 179.3° | 179.8° |
| C1 | N7 | HN71 | HN72 | 120.0° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | N3 | 179.4° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| C3 | C4 | C5 | N3 | 179.8° | 180.0° |
| C3 | C4 | C5 | N6 | 0.2° | 0.2° |
| C3 | C4 | C5 | CN4 | 180.0° | 179.9° |
| C3 | C4 | N3 | C8 | 179.8° | 180.0° |
| C3 | C4 | N3 | HN3 | 0.2° | 0.0° |
| H3 | C3 | C4 | C5 | 179.7° | 180.0° |
| H3 | C3 | C4 | N3 | 0.6° | 0.0° |
| C4 | C5 | N6 | CN4 | 179.7° | 179.8° |
| C5 | C4 | N3 | C8 | 0.1° | 0.1° |
| C5 | C4 | N3 | HN3 | 179.9° | 180.0° |
| C4 | C5 | CN4 | C8 | 0.3° | 0.1° |
| C4 | C5 | CN4 | HN4 | 179.7° | 179.9° |
| N3 | C4 | C5 | N6 | 179.5° | 179.8° |
| N3 | C4 | C5 | CN4 | 0.2° | 0.1° |
| C4 | N3 | C8 | HN3 | 180.0° | 180.0° |
| C4 | N3 | C8 | CN4 | 0.0° | 0.0° |
| C4 | N3 | C8 | C1' | 178.9° | 179.9° |
| N6 | C5 | CN4 | C8 | 179.5° | 179.8° |
| N6 | C5 | CN4 | HN4 | 0.5° | 0.2° |
| C5 | CN4 | C8 | N3 | 0.2° | 0.0° |
| C5 | CN4 | C8 | HN4 | 180.0° | 180.0° |
| C5 | CN4 | C8 | C1' | 178.5° | 180.0° |
| N3 | C8 | CN4 | C1' | 178.7° | 179.9° |
| N3 | C8 | CN4 | HN4 | 179.8° | 180.0° |
| N3 | C8 | C1' | C2' | 175.6° | 40.0° |
| N3 | C8 | C1' | C6' | 5.0° | 139.7° |
| HN3 | N3 | C8 | CN4 | 180.0° | 180.0° |
| HN3 | N3 | C8 | C1' | 1.1° | 0.0° |
| CN4 | C8 | C1' | C2' | 2.9° | 140.0° |
| CN4 | C8 | C1' | C6' | 176.4° | 40.4° |
| HN4 | CN4 | C8 | C1' | 1.5° | 0.0° |
| C8 | C1' | C2' | C6' | 179.4° | 179.7° |
| C8 | C1' | C2' | C3' | 179.3° | 180.0° |
| C8 | C1' | C2' | H2' | 0.7° | 0.1° |
| C8 | C1' | C6' | C5' | 178.9° | 179.8° |
| C8 | C1' | C6' | O6' | 2.6° | 0.3° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | CV' | 179.7° | 180.0° |
| C1' | C2' | C3' | C4' | 0.2° | 0.1° |
| C2' | C1' | C6' | C5' | 0.5° | 0.5° |
| C2' | C1' | C6' | O6' | 178.0° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.3° |
| C6' | C1' | C2' | H2' | 179.9° | 179.8° |
| C1' | C6' | C5' | C4' | 0.6° | 0.5° |
| C1' | C6' | C5' | O6' | 178.4° | 179.5° |
| C1' | C6' | C5' | C1B | 178.7° | 179.7° |
| C1' | C6' | O6' | H6' | 55.2° | 90.5° |
| C2' | C3' | CV' | C4' | 179.8° | 180.0° |
| C2' | C3' | CV' | CW' | 71.3° | 90.0° |
| C2' | C3' | CV' | H311 | 168.7° | 150.0° |
| C2' | C3' | CV' | H312 | 48.7° | 30.0° |
| C2' | C3' | C4' | C5' | 0.1° | 0.1° |
| C2' | C3' | C4' | H4' | 179.9° | 180.0° |
| H2' | C2' | C3' | CV' | 0.3° | 0.0° |
| H2' | C2' | C3' | C4' | 179.8° | 180.0° |
| C3' | CV' | CW' | H311 | 120.1° | 119.9° |
| C3' | CV' | CW' | H312 | 120.0° | 120.0° |
| C3' | CV' | H311 | H312 | 120.0° | 120.0° |
| C3' | CV' | CW' | OX' | 80.0° | 180.0° |
| C3' | CV' | CW' | OY' | 99.7° | 0.0° |
| CV' | C3' | C4' | C5' | 179.7° | 180.0° |
| CV' | C3' | C4' | H4' | 0.2° | 0.1° |
| C4' | C3' | CV' | CW' | 108.9° | 89.9° |
| C4' | C3' | CV' | H311 | 11.1° | 30.0° |
| C4' | C3' | CV' | H312 | 131.1° | 150.0° |
| C3' | C4' | C5' | H4' | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 0.3° | 0.3° |
| C3' | C4' | C5' | C1B | 179.1° | 179.9° |
| CW' | CV' | H311 | H312 | 120.0° | 120.0° |
| CV' | CW' | OX' | OY' | 179.7° | 179.9° |
| CV' | CW' | OX' | H33' | 179.7° | 180.0° |
| H311 | CV' | CW' | OX' | 159.9° | 60.0° |
| H311 | CV' | CW' | OY' | 20.3° | 119.9° |
| H312 | CV' | CW' | OX' | 40.0° | 60.0° |
| H312 | CV' | CW' | OY' | 140.3° | 120.0° |
| OY' | CW' | OX' | H33' | 0.0° | 0.1° |
| C4' | C5' | C6' | C1B | 179.3° | 179.8° |
| C4' | C5' | C6' | O6' | 177.9° | 180.0° |
| C4' | C5' | C1B | C2B | 140.1° | 130.0° |
| C4' | C5' | C1B | C6B | 39.1° | 50.2° |
| H4' | C4' | C5' | C6' | 179.7° | 179.8° |
| H4' | C4' | C5' | C1B | 0.9° | 0.0° |
| C5' | C6' | O6' | H6' | 126.3° | 90.0° |
| C6' | C5' | C1B | C2B | 40.7° | 49.8° |
| C6' | C5' | C1B | C6B | 140.2° | 130.0° |
| C1B | C5' | C6' | O6' | 2.8° | 0.2° |
| C5' | C1B | C2B | C6B | 179.2° | 179.8° |
| C5' | C1B | C2B | C3B | 178.9° | 180.0° |
| C5' | C1B | C2B | H2B | 1.1° | 0.0° |
| C5' | C1B | C6B | C5B | 179.0° | 179.7° |
| C5' | C1B | C6B | H6B | 1.1° | 0.2° |
| C1B | C2B | C3B | H2B | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.1° | 0.0° |
| C1B | C2B | C3B | H3B | 179.9° | 180.0° |
| C2B | C1B | C6B | C5B | 0.2° | 0.5° |
| C2B | C1B | C6B | H6B | 179.8° | 180.0° |
| C6B | C1B | C2B | C3B | 0.3° | 0.2° |
| C6B | C1B | C2B | H2B | 179.7° | 179.8° |
| C1B | C6B | C5B | C4B | 0.1° | 0.5° |
| C1B | C6B | C5B | N5B | 178.8° | 179.8° |
| C1B | C6B | C5B | H6B | 180.0° | 179.5° |
| C2B | C3B | C4B | H3B | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 0.3° | 0.0° |
| C2B | C3B | C4B | H4B | 179.7° | 180.0° |
| H2B | C2B | C3B | C4B | 179.9° | 180.0° |
| H2B | C2B | C3B | H3B | 0.1° | 0.0° |
| C3B | C4B | C5B | H4B | 180.0° | 179.9° |
| C3B | C4B | C5B | N5B | 178.6° | 180.0° |
| C3B | C4B | C5B | C6B | 0.3° | 0.3° |
| H3B | C3B | C4B | C5B | 179.7° | 180.0° |
| H3B | C3B | C4B | H4B | 0.3° | 0.1° |
| C4B | C5B | N5B | C6B | 178.9° | 179.7° |
| C4B | C5B | N5B | O51 | 157.0° | 0.1° |
| C4B | C5B | N5B | O52 | 22.6° | 180.0° |
| C4B | C5B | C6B | H6B | 179.9° | 180.0° |
| H4B | C4B | C5B | N5B | 1.4° | 0.1° |
| H4B | C4B | C5B | C6B | 179.6° | 179.8° |
| C5B | N5B | O51 | O52 | 179.6° | 180.0° |
| N5B | C5B | C6B | H6B | 1.2° | 0.3° |
| C6B | C5B | N5B | O51 | 21.9° | 179.8° |
| C6B | C5B | N5B | O52 | 158.5° | 0.3° |
