NT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.30Å | 1.37Å | |
| C1 | N2 | sing | 1.37Å | 1.37Å | |
| C1 | N3 | sing | 1.37Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C2 | sing | 1.46Å | 1.42Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | N4 | sing | 1.35Å | 1.39Å | |
| N4 | C4 | sing | 1.41Å | 1.40Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C7 | doub | 1.36Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | N5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.47Å | 1.40Å | |
| N5 | C8 | sing | 1.46Å | 1.45Å | |
| N5 | C7 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C9 | O2 | doub | 1.22Å | 1.21Å | |
| C9 | N6 | sing | 1.35Å | 1.43Å | |
| N6 | C10 | sing | 1.41Å | 1.39Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | N7 | sing | 1.38Å | 1.35Å | Aromatic |
| C12 | C15 | sing | 1.47Å | 1.42Å | |
| N7 | C14 | sing | 1.46Å | 1.43Å | |
| N7 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C15 | O3 | doub | 1.22Å | 1.23Å | |
| C15 | N8 | sing | 1.35Å | 1.40Å | |
| N8 | C16 | sing | 1.47Å | 1.47Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | N9 | doub | 1.29Å | 1.35Å | |
| C18 | N10 | sing | 1.37Å | 1.35Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| N10 | HN01 | sing | 0.97Å | 1.02Å | |
| N10 | HN02 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 121.0° | 120.0° |
| N1 | C1 | N3 | 122.2° | 120.0° |
| C1 | N1 | HN1 | 119.3° | 120.0° |
| N2 | C1 | N3 | 116.8° | 120.0° |
| C1 | N2 | HN21 | 121.1° | 120.0° |
| C1 | N2 | HN22 | 108.1° | 120.0° |
| C1 | N3 | C2 | 120.8° | 120.0° |
| C1 | N3 | HN3 | 108.2° | 120.0° |
| HN21 | N2 | HN22 | 108.0° | 120.0° |
| C2 | N3 | HN3 | 108.2° | 120.0° |
| N3 | C2 | C3 | 111.8° | 109.5° |
| N3 | C2 | H21 | 111.4° | 109.5° |
| N3 | C2 | H22 | 111.3° | 109.5° |
| C3 | C2 | H21 | 111.3° | 109.5° |
| C3 | C2 | H22 | 111.3° | 109.5° |
| C2 | C3 | O1 | 126.4° | 120.0° |
| C2 | C3 | N4 | 112.2° | 120.0° |
| H21 | C2 | H22 | 99.0° | 109.4° |
| O1 | C3 | N4 | 121.4° | 120.0° |
| C3 | N4 | C4 | 123.2° | 120.0° |
| C3 | N4 | HN4 | 118.1° | 120.0° |
| C4 | N4 | HN4 | 118.6° | 120.0° |
| N4 | C4 | C5 | 121.4° | 126.1° |
| N4 | C4 | C7 | 131.9° | 126.2° |
| C5 | C4 | C7 | 106.5° | 107.7° |
| C4 | C5 | C6 | 106.9° | 107.1° |
| C4 | C5 | H5 | 126.7° | 126.5° |
| C4 | C7 | N5 | 109.5° | 108.8° |
| C4 | C7 | H7 | 126.5° | 125.6° |
| C6 | C5 | H5 | 126.4° | 126.5° |
| C5 | C6 | N5 | 109.6° | 107.7° |
| C5 | C6 | C9 | 125.0° | 126.2° |
| N5 | C6 | C9 | 124.5° | 126.1° |
| C6 | N5 | C8 | 124.4° | 125.7° |
| C6 | N5 | C7 | 107.4° | 108.7° |
| C6 | C9 | O2 | 124.0° | 120.0° |
| C6 | C9 | N6 | 115.5° | 119.9° |
| C8 | N5 | C7 | 127.9° | 125.6° |
| N5 | C8 | H81 | 124.4° | 109.5° |
| N5 | C8 | H82 | 106.9° | 109.4° |
| N5 | C8 | H83 | 106.9° | 109.4° |
| N5 | C7 | H7 | 124.0° | 125.6° |
| H81 | C8 | H82 | 106.9° | 109.6° |
| H81 | C8 | H83 | 106.9° | 109.5° |
| H82 | C8 | H83 | 102.7° | 109.4° |
| O2 | C9 | N6 | 120.5° | 120.0° |
| C9 | N6 | C10 | 122.4° | 120.0° |
| C9 | N6 | HN6 | 120.3° | 120.1° |
| C10 | N6 | HN6 | 117.4° | 120.0° |
| N6 | C10 | C11 | 123.9° | 126.1° |
| N6 | C10 | C13 | 130.0° | 126.1° |
| C11 | C10 | C13 | 105.3° | 107.7° |
| C10 | C11 | C12 | 106.2° | 107.2° |
| C10 | C11 | H11 | 126.4° | 126.5° |
| C10 | C13 | N7 | 111.4° | 108.7° |
| C10 | C13 | H13 | 125.5° | 125.6° |
| C12 | C11 | H11 | 127.4° | 126.4° |
| C11 | C12 | N7 | 110.6° | 107.6° |
| C11 | C12 | C15 | 127.1° | 126.2° |
| N7 | C12 | C15 | 121.6° | 126.2° |
| C12 | N7 | C14 | 125.8° | 125.6° |
| C12 | N7 | C13 | 106.1° | 108.7° |
| C12 | C15 | O3 | 127.7° | 120.0° |
| C12 | C15 | N8 | 113.9° | 120.0° |
| C14 | N7 | C13 | 127.2° | 125.7° |
| N7 | C14 | H141 | 125.8° | 109.5° |
| N7 | C14 | H142 | 106.5° | 109.5° |
| N7 | C14 | H143 | 106.5° | 109.5° |
| N7 | C13 | H13 | 123.1° | 125.6° |
| H141 | C14 | H142 | 106.5° | 109.5° |
| H141 | C14 | H143 | 106.4° | 109.4° |
| H142 | C14 | H143 | 103.1° | 109.5° |
| O3 | C15 | N8 | 118.3° | 119.9° |
| C15 | N8 | C16 | 122.7° | 120.1° |
| C15 | N8 | HN8 | 116.0° | 119.9° |
| C16 | N8 | HN8 | 121.3° | 120.0° |
| N8 | C16 | C17 | 113.5° | 109.5° |
| N8 | C16 | H161 | 110.7° | 109.4° |
| N8 | C16 | H162 | 110.7° | 109.4° |
| C17 | C16 | H161 | 110.7° | 109.5° |
| C17 | C16 | H162 | 110.7° | 109.5° |
| C16 | C17 | C18 | 110.9° | 109.5° |
| C16 | C17 | H171 | 111.6° | 109.5° |
| C16 | C17 | H172 | 111.6° | 109.5° |
| H161 | C16 | H162 | 99.6° | 109.5° |
| C18 | C17 | H171 | 111.7° | 109.5° |
| C18 | C17 | H172 | 111.7° | 109.4° |
| C17 | C18 | N9 | 117.2° | 120.0° |
| C17 | C18 | N10 | 116.8° | 120.0° |
| H171 | C17 | H172 | 98.8° | 109.4° |
| N9 | C18 | N10 | 126.0° | 120.0° |
| C18 | N9 | HN9 | 114.8° | 120.0° |
| C18 | N10 | HN01 | 116.8° | 120.0° |
| C18 | N10 | HN02 | 109.5° | 120.1° |
| HN01 | N10 | HN02 | 109.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | N3 | 179.9° | 180.0° |
| N1 | C1 | N2 | HN21 | 180.0° | 0.0° |
| N1 | C1 | N2 | HN22 | 54.7° | 180.0° |
| N1 | C1 | N3 | C2 | 6.4° | 0.0° |
| N1 | C1 | N3 | HN3 | 118.9° | 180.0° |
| N2 | C1 | N1 | HN1 | 24.8° | 0.0° |
| C1 | N2 | HN21 | HN22 | 125.3° | 180.0° |
| N2 | C1 | N3 | C2 | 173.5° | 180.0° |
| N2 | C1 | N3 | HN3 | 61.2° | 0.0° |
| N3 | C1 | N1 | HN1 | 155.1° | 180.0° |
| N3 | C1 | N2 | HN21 | 0.1° | 180.0° |
| N3 | C1 | N2 | HN22 | 125.3° | 0.0° |
| C1 | N3 | C2 | HN3 | 125.3° | 180.0° |
| C1 | N3 | C2 | C3 | 174.9° | 180.0° |
| C1 | N3 | C2 | H21 | 59.9° | 60.0° |
| C1 | N3 | C2 | H22 | 49.6° | 60.0° |
| N3 | C2 | C3 | H21 | 125.3° | 120.1° |
| N3 | C2 | C3 | H22 | 125.2° | 120.0° |
| N3 | C2 | H21 | H22 | 117.2° | 120.0° |
| N3 | C2 | C3 | O1 | 7.5° | 0.1° |
| N3 | C2 | C3 | N4 | 172.1° | 180.0° |
| HN3 | N3 | C2 | C3 | 59.8° | 0.0° |
| HN3 | N3 | C2 | H21 | 65.4° | 120.0° |
| HN3 | N3 | C2 | H22 | 174.9° | 120.1° |
| C3 | C2 | H21 | H22 | 117.2° | 120.0° |
| C2 | C3 | O1 | N4 | 179.6° | 179.9° |
| C2 | C3 | N4 | C4 | 178.7° | 180.0° |
| C2 | C3 | N4 | HN4 | 1.3° | 0.0° |
| H21 | C2 | C3 | O1 | 117.8° | 120.0° |
| H21 | C2 | C3 | N4 | 62.6° | 59.9° |
| H22 | C2 | C3 | O1 | 132.7° | 120.1° |
| H22 | C2 | C3 | N4 | 46.9° | 60.0° |
| O1 | C3 | N4 | C4 | 1.7° | 0.1° |
| O1 | C3 | N4 | HN4 | 178.3° | 179.9° |
| C3 | N4 | C4 | HN4 | 180.0° | 180.0° |
| C3 | N4 | C4 | C5 | 168.6° | 0.0° |
| C3 | N4 | C4 | C7 | 7.0° | 180.0° |
| N4 | C4 | C5 | C7 | 176.6° | 180.0° |
| N4 | C4 | C5 | C6 | 176.5° | 180.0° |
| N4 | C4 | C5 | H5 | 3.5° | 0.0° |
| N4 | C4 | C7 | N5 | 174.2° | 179.7° |
| N4 | C4 | C7 | H7 | 5.8° | 0.1° |
| HN4 | N4 | C4 | C5 | 11.4° | 180.0° |
| HN4 | N4 | C4 | C7 | 173.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N5 | 1.7° | 0.2° |
| C4 | C5 | C6 | C9 | 167.7° | 180.0° |
| C5 | C4 | C7 | N5 | 1.9° | 0.2° |
| C5 | C4 | C7 | H7 | 178.1° | 179.9° |
| C7 | C4 | C5 | C6 | 0.1° | 0.0° |
| C7 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C7 | N5 | C6 | 2.9° | 0.4° |
| C4 | C7 | N5 | C8 | 176.5° | 180.0° |
| C4 | C7 | N5 | H7 | 180.0° | 179.8° |
| C5 | C6 | N5 | C9 | 169.4° | 179.7° |
| C5 | C6 | N5 | C8 | 176.7° | 180.0° |
| C5 | C6 | N5 | C7 | 2.8° | 0.4° |
| C5 | C6 | C9 | O2 | 156.8° | 174.7° |
| C5 | C6 | C9 | N6 | 23.6° | 5.4° |
| H5 | C5 | C6 | N5 | 178.4° | 179.8° |
| H5 | C5 | C6 | C9 | 12.3° | 0.0° |
| C6 | N5 | C8 | C7 | 172.5° | 179.6° |
| C6 | N5 | C8 | H81 | 180.0° | 95.0° |
| C6 | N5 | C8 | H82 | 54.7° | 25.1° |
| C6 | N5 | C8 | H83 | 54.8° | 145.0° |
| C6 | N5 | C7 | H7 | 177.0° | 179.8° |
| N5 | C6 | C9 | O2 | 35.4° | 5.0° |
| N5 | C6 | C9 | N6 | 144.2° | 174.9° |
| C9 | C6 | N5 | C8 | 7.3° | 0.2° |
| C9 | C6 | N5 | C7 | 166.6° | 179.9° |
| C6 | C9 | O2 | N6 | 179.6° | 180.0° |
| C6 | C9 | N6 | C10 | 179.4° | 174.5° |
| C6 | C9 | N6 | HN6 | 0.6° | 5.6° |
| N5 | C8 | H81 | H82 | 125.3° | 120.0° |
| N5 | C8 | H81 | H83 | 125.2° | 120.0° |
| N5 | C8 | H82 | H83 | 112.4° | 119.9° |
| C8 | N5 | C7 | H7 | 3.5° | 0.1° |
| C7 | N5 | C8 | H81 | 7.5° | 85.4° |
| C7 | N5 | C8 | H82 | 132.8° | 154.5° |
| C7 | N5 | C8 | H83 | 117.8° | 34.6° |
| H81 | C8 | H82 | H83 | 112.4° | 120.0° |
| O2 | C9 | N6 | C10 | 1.0° | 5.6° |
| O2 | C9 | N6 | HN6 | 179.0° | 174.4° |
| C9 | N6 | C10 | HN6 | 180.0° | 180.0° |
| C9 | N6 | C10 | C11 | 177.5° | 0.1° |
| C9 | N6 | C10 | C13 | 9.6° | 180.0° |
| N6 | C10 | C11 | C13 | 170.4° | 179.9° |
| N6 | C10 | C11 | C12 | 169.2° | 179.7° |
| N6 | C10 | C11 | H11 | 10.8° | 0.1° |
| N6 | C10 | C13 | N7 | 164.9° | 180.0° |
| N6 | C10 | C13 | H13 | 15.1° | 0.1° |
| HN6 | N6 | C10 | C11 | 2.5° | 180.0° |
| HN6 | N6 | C10 | C13 | 170.4° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C10 | C11 | C12 | N7 | 2.7° | 0.4° |
| C10 | C11 | C12 | C15 | 173.0° | 180.0° |
| C11 | C10 | C13 | N7 | 4.7° | 0.0° |
| C11 | C10 | C13 | H13 | 175.3° | 180.0° |
| C13 | C10 | C11 | C12 | 1.2° | 0.2° |
| C13 | C10 | C11 | H11 | 178.8° | 179.9° |
| C10 | C13 | N7 | C12 | 6.4° | 0.2° |
| C10 | C13 | N7 | C14 | 175.8° | 180.0° |
| C10 | C13 | N7 | H13 | 180.0° | 180.0° |
| C11 | C12 | N7 | C15 | 171.0° | 179.6° |
| C11 | C12 | N7 | C14 | 175.1° | 179.9° |
| C11 | C12 | N7 | C13 | 5.5° | 0.4° |
| C11 | C12 | C15 | O3 | 160.9° | 174.6° |
| C11 | C12 | C15 | N8 | 17.8° | 5.3° |
| H11 | C11 | C12 | N7 | 177.4° | 179.8° |
| H11 | C11 | C12 | C15 | 7.0° | 0.2° |
| C12 | N7 | C14 | C13 | 167.5° | 179.7° |
| C12 | N7 | C14 | H141 | 180.0° | 94.8° |
| C12 | N7 | C14 | H142 | 54.7° | 25.2° |
| C12 | N7 | C14 | H143 | 54.8° | 145.3° |
| C12 | N7 | C13 | H13 | 173.6° | 179.8° |
| N7 | C12 | C15 | O3 | 8.5° | 4.9° |
| N7 | C12 | C15 | N8 | 172.8° | 175.1° |
| C15 | C12 | N7 | C14 | 13.9° | 0.3° |
| C15 | C12 | N7 | C13 | 176.5° | 180.0° |
| C12 | C15 | O3 | N8 | 178.6° | 180.0° |
| C12 | C15 | N8 | C16 | 177.2° | 174.9° |
| C12 | C15 | N8 | HN8 | 2.9° | 5.1° |
| N7 | C14 | H141 | H142 | 125.3° | 120.0° |
| N7 | C14 | H141 | H143 | 125.2° | 119.9° |
| N7 | C14 | H142 | H143 | 111.9° | 120.0° |
| C14 | N7 | C13 | H13 | 4.2° | 0.1° |
| C13 | N7 | C14 | H141 | 12.5° | 85.5° |
| C13 | N7 | C14 | H142 | 137.8° | 154.5° |
| C13 | N7 | C14 | H143 | 112.7° | 34.4° |
| H141 | C14 | H142 | H143 | 111.8° | 119.9° |
| O3 | C15 | N8 | C16 | 1.6° | 5.0° |
| O3 | C15 | N8 | HN8 | 178.3° | 175.0° |
| C15 | N8 | C16 | HN8 | 180.0° | 180.0° |
| C15 | N8 | C16 | C17 | 88.6° | 180.0° |
| C15 | N8 | C16 | H161 | 146.2° | 59.9° |
| C15 | N8 | C16 | H162 | 36.7° | 60.0° |
| N8 | C16 | C17 | H161 | 125.2° | 120.0° |
| N8 | C16 | C17 | H162 | 125.2° | 120.0° |
| N8 | C16 | H161 | H162 | 116.6° | 119.9° |
| N8 | C16 | C17 | C18 | 169.5° | 180.0° |
| N8 | C16 | C17 | H171 | 44.3° | 60.0° |
| N8 | C16 | C17 | H172 | 65.2° | 60.0° |
| HN8 | N8 | C16 | C17 | 91.4° | 0.0° |
| HN8 | N8 | C16 | H161 | 33.8° | 120.1° |
| HN8 | N8 | C16 | H162 | 143.3° | 120.0° |
| C17 | C16 | H161 | H162 | 116.6° | 120.1° |
| C16 | C17 | C18 | H171 | 125.2° | 120.1° |
| C16 | C17 | C18 | H172 | 125.2° | 120.0° |
| C16 | C17 | H171 | H172 | 117.5° | 120.0° |
| C16 | C17 | C18 | N9 | 85.8° | 0.0° |
| C16 | C17 | C18 | N10 | 93.3° | 180.0° |
| H161 | C16 | C17 | C18 | 65.3° | 60.0° |
| H161 | C16 | C17 | H171 | 169.5° | 179.9° |
| H161 | C16 | C17 | H172 | 60.0° | 59.9° |
| H162 | C16 | C17 | C18 | 44.3° | 60.0° |
| H162 | C16 | C17 | H171 | 81.0° | 60.0° |
| H162 | C16 | C17 | H172 | 169.5° | 180.0° |
| C18 | C17 | H171 | H172 | 117.7° | 119.9° |
| C17 | C18 | N9 | N10 | 179.0° | 180.0° |
| C17 | C18 | N9 | HN9 | 120.1° | 180.0° |
| C17 | C18 | N10 | HN01 | 180.0° | 180.0° |
| C17 | C18 | N10 | HN02 | 54.7° | 0.0° |
| H171 | C17 | C18 | N9 | 39.4° | 120.1° |
| H171 | C17 | C18 | N10 | 141.5° | 59.9° |
| H172 | C17 | C18 | N9 | 148.9° | 120.0° |
| H172 | C17 | C18 | N10 | 31.9° | 60.0° |
| N9 | C18 | N10 | HN01 | 1.0° | 0.0° |
| N9 | C18 | N10 | HN02 | 124.3° | 180.0° |
| N10 | C18 | N9 | HN9 | 60.9° | 0.0° |
| C18 | N10 | HN01 | HN02 | 125.3° | 180.0° |
