NX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C7 | O8 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| O8 | C9 | sing | 1.36Å | 1.36Å | |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| C3 | N5 | sing | 1.35Å | 1.39Å | |
| C3 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| N5 | C14 | sing | 1.40Å | 1.43Å | |
| N10 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.9° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H17 | 108.3° | 109.5° |
| C1 | C2 | H25 | 108.4° | 109.5° |
| C2 | C3 | N5 | 119.0° | 120.0° |
| C2 | C3 | O4 | 119.7° | 120.0° |
| C3 | C2 | H17 | 108.4° | 109.5° |
| C3 | C2 | H25 | 108.4° | 109.5° |
| O8 | C7 | C6 | 111.3° | 108.9° |
| C7 | O8 | C9 | 114.2° | 117.8° |
| O8 | C7 | H21 | 109.0° | 109.6° |
| O8 | C7 | H20 | 109.0° | 109.6° |
| C7 | C6 | N5 | 110.7° | 107.5° |
| C7 | C6 | H18 | 109.2° | 109.9° |
| C7 | C6 | H19 | 109.1° | 109.9° |
| C6 | C7 | H21 | 109.0° | 109.5° |
| C6 | C7 | H20 | 109.0° | 109.5° |
| O8 | C9 | N10 | 113.4° | 119.5° |
| O8 | C9 | C14 | 123.1° | 120.5° |
| C6 | N5 | C3 | 120.9° | 121.2° |
| C6 | N5 | C14 | 114.9° | 117.6° |
| N5 | C6 | H18 | 109.2° | 109.8° |
| N5 | C6 | H19 | 109.2° | 109.9° |
| N5 | C3 | O4 | 121.4° | 120.0° |
| C3 | N5 | C14 | 122.9° | 121.2° |
| N10 | C9 | C14 | 123.5° | 120.0° |
| C9 | N10 | C11 | 117.1° | 121.8° |
| C9 | C14 | N5 | 120.4° | 120.0° |
| C9 | C14 | C13 | 117.6° | 119.7° |
| N5 | C14 | C13 | 122.0° | 120.4° |
| N10 | C11 | C12 | 123.3° | 121.2° |
| N10 | C11 | H22 | 118.4° | 119.3° |
| C14 | C13 | C12 | 119.1° | 118.2° |
| C14 | C13 | H24 | 120.4° | 120.9° |
| C11 | C12 | C13 | 119.4° | 119.2° |
| C12 | C11 | H22 | 118.3° | 119.4° |
| C11 | C12 | H23 | 120.3° | 120.5° |
| C13 | C12 | H23 | 120.3° | 120.4° |
| C12 | C13 | H24 | 120.4° | 120.9° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H1 | 109.5° | 109.5° |
| H16 | C1 | H1 | 109.5° | 109.4° |
| H17 | C2 | H25 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.9° |
| H21 | C7 | H20 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H17 | 120.6° | 120.0° |
| C1 | C2 | C3 | H25 | 120.7° | 120.0° |
| C1 | C2 | C3 | N5 | 165.1° | 175.1° |
| C1 | C2 | C3 | O4 | 15.6° | 5.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H1 | 120.0° | 120.0° |
| C2 | C1 | H16 | H1 | 120.0° | 119.9° |
| C1 | C2 | H17 | H25 | 118.0° | 120.0° |
| C2 | C3 | N5 | C6 | 31.1° | 4.3° |
| C2 | C3 | N5 | O4 | 179.2° | 180.0° |
| C2 | C3 | N5 | C14 | 135.7° | 175.7° |
| C3 | C2 | C1 | H15 | 180.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 180.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C3 | C2 | H17 | H25 | 118.0° | 120.0° |
| O8 | C7 | C6 | H21 | 120.3° | 119.9° |
| O8 | C7 | C6 | H20 | 120.3° | 119.8° |
| O8 | C7 | C6 | N5 | 57.6° | 58.2° |
| C7 | O8 | C9 | N10 | 158.6° | 159.5° |
| C7 | O8 | C9 | C14 | 21.3° | 20.6° |
| O8 | C7 | C6 | H18 | 62.6° | 61.2° |
| O8 | C7 | C6 | H19 | 177.8° | 177.8° |
| O8 | C7 | H21 | H20 | 119.2° | 120.3° |
| C6 | C7 | O8 | C9 | 49.5° | 49.9° |
| C7 | C6 | N5 | H18 | 120.2° | 119.5° |
| C7 | C6 | N5 | H19 | 120.2° | 119.6° |
| C7 | C6 | N5 | C3 | 131.3° | 138.4° |
| C7 | C6 | N5 | C14 | 36.4° | 41.6° |
| C7 | C6 | H18 | H19 | 119.4° | 121.0° |
| C6 | C7 | H21 | H20 | 119.1° | 120.2° |
| O8 | C9 | N10 | C14 | 179.9° | 179.9° |
| O8 | C9 | C14 | N5 | 0.0° | 0.4° |
| O8 | C9 | N10 | C11 | 180.0° | 179.8° |
| O8 | C9 | C14 | C13 | 180.0° | 179.8° |
| C9 | O8 | C7 | H21 | 169.8° | 70.0° |
| C9 | O8 | C7 | H20 | 70.7° | 169.7° |
| C6 | N5 | C3 | C14 | 166.8° | 180.0° |
| C6 | N5 | C3 | O4 | 148.1° | 175.6° |
| C6 | N5 | C14 | C9 | 8.9° | 13.5° |
| C6 | N5 | C14 | C13 | 171.1° | 166.7° |
| N5 | C6 | H18 | H19 | 119.4° | 120.9° |
| N5 | C6 | C7 | H21 | 177.8° | 61.7° |
| N5 | C6 | C7 | H20 | 62.7° | 178.1° |
| C3 | N5 | C14 | C9 | 158.6° | 166.5° |
| C3 | N5 | C14 | C13 | 21.4° | 13.3° |
| N5 | C3 | C2 | H17 | 44.5° | 55.1° |
| N5 | C3 | C2 | H25 | 74.2° | 65.0° |
| C3 | N5 | C6 | H18 | 108.4° | 102.2° |
| C3 | N5 | C6 | H19 | 11.2° | 18.8° |
| O4 | C3 | N5 | C14 | 45.1° | 4.4° |
| O4 | C3 | C2 | H17 | 136.3° | 125.0° |
| O4 | C3 | C2 | H25 | 105.0° | 115.0° |
| N10 | C9 | C14 | N5 | 179.9° | 179.7° |
| N10 | C9 | C14 | C13 | 0.1° | 0.1° |
| C9 | N10 | C11 | C12 | 0.0° | 0.0° |
| C9 | N10 | C11 | H22 | 180.0° | 179.9° |
| C9 | C14 | N5 | C13 | 180.0° | 179.8° |
| C14 | C9 | N10 | C11 | 0.0° | 0.1° |
| C9 | C14 | C13 | C12 | 0.1° | 0.0° |
| C9 | C14 | C13 | H24 | 180.0° | 180.0° |
| N5 | C14 | C13 | C12 | 179.9° | 179.8° |
| C14 | N5 | C6 | H18 | 83.8° | 77.9° |
| C14 | N5 | C6 | H19 | 156.6° | 161.2° |
| N5 | C14 | C13 | H24 | 0.0° | 0.3° |
| N10 | C11 | C12 | H22 | 180.0° | 179.9° |
| N10 | C11 | C12 | C13 | 0.0° | 0.2° |
| N10 | C11 | C12 | H23 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.2° |
| C14 | C13 | C12 | H24 | 180.0° | 179.9° |
| C14 | C13 | C12 | H23 | 180.0° | 180.0° |
| C11 | C12 | C13 | H23 | 180.0° | 179.9° |
| C11 | C12 | C13 | H24 | 180.0° | 179.9° |
| C13 | C12 | C11 | H22 | 180.0° | 179.9° |
| H15 | C1 | H16 | H1 | 120.0° | 120.0° |
| H15 | C1 | C2 | H17 | 59.3° | 180.0° |
| H15 | C1 | C2 | H25 | 59.3° | 60.0° |
| H16 | C1 | C2 | H17 | 60.6° | 60.0° |
| H16 | C1 | C2 | H25 | 179.3° | 60.0° |
| H1 | C1 | C2 | H17 | 179.4° | 60.0° |
| H1 | C1 | C2 | H25 | 60.7° | 180.0° |
| H18 | C6 | C7 | H21 | 57.6° | 178.9° |
| H18 | C6 | C7 | H20 | 177.1° | 58.6° |
| H19 | C6 | C7 | H21 | 62.0° | 57.9° |
| H19 | C6 | C7 | H20 | 57.5° | 62.4° |
| H22 | C11 | C12 | H23 | 0.0° | 0.0° |
| H23 | C12 | C13 | H24 | 0.0° | 0.0° |
