LZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N8 | sing | 1.47Å | 1.45Å | |
| N8 | C13 | sing | 1.35Å | 1.34Å | Aromatic |
| N8 | N9 | sing | 1.40Å | 1.36Å | Aromatic |
| C13 | N7 | doub | 1.31Å | 1.32Å | Aromatic |
| N9 | C12 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N7 | sing | 1.34Å | 1.36Å | Aromatic |
| C12 | C9 | sing | 1.48Å | 1.47Å | |
| C11 | O2 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C10 | sing | 1.36Å | 1.40Å | |
| C10 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | N6 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.39Å | 1.37Å | |
| N3 | C4 | sing | 1.39Å | 1.44Å | |
| O1 | C5 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.43Å | Aromatic |
| O3 | C15 | doub | 1.21Å | 1.24Å | |
| C5 | C1 | sing | 1.48Å | 1.50Å | |
| C5 | N5 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C19 | N5 | sing | 1.46Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| C15 | N4 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N4 | sing | 1.39Å | 1.40Å | |
| N1 | N2 | sing | 1.28Å | 1.34Å | Aromatic |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| N5 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N8 | C13 | 130.9° | 126.7° |
| C14 | N8 | N9 | 119.7° | 126.7° |
| N8 | C14 | H15 | 109.5° | 109.5° |
| N8 | C14 | H16 | 109.5° | 109.5° |
| N8 | C14 | H14 | 109.5° | 109.5° |
| C13 | N8 | N9 | 109.4° | 106.6° |
| N8 | C13 | N7 | 111.1° | 108.2° |
| N8 | C13 | H13 | 124.5° | 125.9° |
| N8 | N9 | C12 | 102.5° | 106.7° |
| C13 | N7 | C12 | 102.2° | 109.8° |
| N7 | C13 | H13 | 124.4° | 125.9° |
| N9 | C12 | N7 | 114.8° | 108.7° |
| N9 | C12 | C9 | 123.2° | 125.7° |
| N7 | C12 | C9 | 122.0° | 125.7° |
| C12 | C9 | C8 | 119.0° | 120.9° |
| C12 | C9 | C10 | 122.1° | 120.8° |
| C11 | O2 | C10 | 116.2° | 117.0° |
| O2 | C11 | H10 | 109.5° | 109.4° |
| O2 | C11 | H12 | 109.5° | 109.5° |
| O2 | C11 | H11 | 109.5° | 109.4° |
| C8 | C9 | C10 | 118.8° | 118.3° |
| C9 | C8 | C7 | 118.0° | 119.2° |
| C9 | C8 | H9 | 121.0° | 120.4° |
| C9 | C10 | O2 | 120.6° | 120.6° |
| C9 | C10 | C6 | 119.0° | 118.8° |
| C8 | C7 | N6 | 124.3° | 121.1° |
| C8 | C7 | H8 | 117.9° | 119.5° |
| C7 | C8 | H9 | 121.0° | 120.3° |
| O2 | C10 | C6 | 120.3° | 120.5° |
| C10 | C6 | N6 | 121.6° | 120.6° |
| C10 | C6 | N3 | 119.2° | 119.7° |
| C7 | N6 | C6 | 118.1° | 122.0° |
| N6 | C7 | H8 | 117.9° | 119.5° |
| N6 | C6 | N3 | 118.7° | 119.7° |
| C6 | N3 | C4 | 133.5° | 120.0° |
| C6 | N3 | H5 | 113.2° | 120.0° |
| N3 | C4 | C3 | 122.4° | 121.2° |
| N3 | C4 | C1 | 120.9° | 121.1° |
| C4 | N3 | H5 | 113.3° | 120.0° |
| O1 | C5 | C1 | 120.6° | 120.0° |
| O1 | C5 | N5 | 122.6° | 120.0° |
| C3 | C4 | C1 | 116.6° | 117.7° |
| C4 | C3 | C2 | 118.5° | 118.0° |
| C4 | C3 | H4 | 120.7° | 121.0° |
| C4 | C1 | C5 | 121.7° | 120.2° |
| C4 | C1 | N1 | 121.6° | 119.6° |
| O3 | C15 | N4 | 124.6° | 120.0° |
| O3 | C15 | C16 | 120.7° | 120.0° |
| C1 | C5 | N5 | 116.8° | 120.0° |
| C5 | C1 | N1 | 116.6° | 120.2° |
| C5 | N5 | C19 | 121.5° | 120.0° |
| C5 | N5 | H7 | 119.3° | 120.0° |
| C3 | C2 | N2 | 122.9° | 120.0° |
| C3 | C2 | N4 | 124.6° | 120.0° |
| C2 | C3 | H4 | 120.7° | 121.0° |
| C1 | N1 | N2 | 120.6° | 122.1° |
| N5 | C19 | H1 | 109.5° | 109.5° |
| N5 | C19 | H2 | 109.5° | 109.5° |
| N5 | C19 | H3 | 109.4° | 109.4° |
| C19 | N5 | H7 | 119.3° | 119.9° |
| C16 | C17 | C18 | 60.2° | 60.0° |
| C17 | C16 | C15 | 117.5° | 117.5° |
| C17 | C16 | C18 | 59.3° | 60.0° |
| C16 | C17 | H19 | 120.0° | 117.5° |
| C16 | C17 | H18 | 119.9° | 117.5° |
| C17 | C16 | H17 | 117.1° | 117.5° |
| C17 | C18 | C16 | 60.5° | 60.0° |
| C17 | C18 | H21 | 119.9° | 117.5° |
| C17 | C18 | H20 | 119.9° | 117.5° |
| C18 | C17 | H19 | 120.0° | 117.5° |
| C18 | C17 | H18 | 119.9° | 117.5° |
| N4 | C15 | C16 | 114.6° | 120.0° |
| C15 | N4 | C2 | 128.9° | 120.0° |
| C15 | N4 | H6 | 115.5° | 120.0° |
| C15 | C16 | C18 | 116.9° | 117.5° |
| C15 | C16 | H17 | 116.7° | 115.6° |
| N2 | C2 | N4 | 112.4° | 120.0° |
| C2 | N2 | N1 | 119.7° | 122.4° |
| C2 | N4 | H6 | 115.5° | 120.0° |
| C16 | C18 | H21 | 119.9° | 117.5° |
| C16 | C18 | H20 | 119.9° | 117.5° |
| C18 | C16 | H17 | 117.1° | 117.4° |
| H21 | C18 | H20 | 109.5° | 115.5° |
| H19 | C17 | H18 | 109.5° | 115.5° |
| H1 | C19 | H2 | 109.5° | 109.5° |
| H1 | C19 | H3 | 109.5° | 109.4° |
| H2 | C19 | H3 | 109.5° | 109.4° |
| H10 | C11 | H12 | 109.4° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C11 | H11 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H14 | 109.4° | 109.5° |
| H16 | C14 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N8 | C13 | N9 | 176.6° | 180.0° |
| C14 | N8 | C13 | N7 | 175.8° | 180.0° |
| C14 | N8 | N9 | C12 | 175.6° | 179.7° |
| C14 | N8 | C13 | H13 | 4.2° | 0.3° |
| N8 | C14 | H15 | H16 | 120.0° | 120.0° |
| N8 | C14 | H15 | H14 | 120.0° | 120.0° |
| N8 | C14 | H16 | H14 | 120.0° | 120.0° |
| N8 | C13 | N7 | H13 | 180.0° | 179.7° |
| C13 | N8 | N9 | C12 | 1.4° | 0.3° |
| N8 | C13 | N7 | C12 | 0.2° | 0.3° |
| C13 | N8 | C14 | H15 | 176.3° | 90.0° |
| C13 | N8 | C14 | H16 | 56.2° | 150.0° |
| C13 | N8 | C14 | H14 | 63.7° | 30.0° |
| N9 | N8 | C13 | N7 | 0.8° | 0.0° |
| N8 | N9 | C12 | N7 | 1.6° | 0.5° |
| N8 | N9 | C12 | C9 | 174.8° | 180.0° |
| N9 | N8 | C13 | H13 | 179.3° | 179.7° |
| N9 | N8 | C14 | H15 | 0.0° | 90.0° |
| N9 | N8 | C14 | H16 | 120.0° | 30.0° |
| N9 | N8 | C14 | H14 | 120.0° | 150.0° |
| C13 | N7 | C12 | N9 | 1.2° | 0.5° |
| C13 | N7 | C12 | C9 | 175.3° | 180.0° |
| N9 | C12 | N7 | C9 | 176.4° | 179.6° |
| N9 | C12 | C9 | C8 | 29.9° | 0.5° |
| N9 | C12 | C9 | C10 | 146.4° | 179.3° |
| N7 | C12 | C9 | C8 | 154.0° | 180.0° |
| N7 | C12 | C9 | C10 | 29.8° | 0.2° |
| C12 | N7 | C13 | H13 | 179.8° | 180.0° |
| C12 | C9 | C8 | C10 | 176.3° | 179.8° |
| C12 | C9 | C8 | C7 | 173.2° | 180.0° |
| C12 | C9 | C10 | O2 | 6.9° | 0.1° |
| C12 | C9 | C10 | C6 | 174.7° | 179.7° |
| C12 | C9 | C8 | H9 | 6.8° | 0.0° |
| C11 | O2 | C10 | C9 | 101.1° | 90.0° |
| C11 | O2 | C10 | C6 | 80.6° | 90.2° |
| O2 | C11 | H10 | H12 | 120.0° | 120.0° |
| O2 | C11 | H10 | H11 | 120.0° | 120.0° |
| O2 | C11 | H12 | H11 | 120.0° | 120.0° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | O2 | 176.9° | 179.7° |
| C8 | C9 | C10 | C6 | 1.5° | 0.5° |
| C9 | C8 | C7 | N6 | 1.1° | 0.0° |
| C9 | C8 | C7 | H8 | 178.9° | 180.0° |
| C10 | C9 | C8 | C7 | 3.1° | 0.3° |
| C9 | C10 | O2 | C6 | 178.3° | 179.8° |
| C9 | C10 | C6 | N6 | 2.4° | 0.5° |
| C9 | C10 | C6 | N3 | 169.2° | 179.8° |
| C10 | C9 | C8 | H9 | 176.9° | 179.8° |
| C8 | C7 | N6 | H8 | 180.0° | 180.0° |
| C8 | C7 | N6 | C6 | 2.7° | 0.0° |
| O2 | C10 | C6 | N6 | 179.3° | 179.7° |
| O2 | C10 | C6 | N3 | 9.1° | 0.0° |
| C10 | O2 | C11 | H10 | 180.0° | 60.0° |
| C10 | O2 | C11 | H12 | 60.0° | 60.0° |
| C10 | O2 | C11 | H11 | 60.0° | 180.0° |
| C10 | C6 | N6 | C7 | 4.4° | 0.3° |
| C10 | C6 | N6 | N3 | 171.7° | 179.7° |
| C10 | C6 | N3 | C4 | 174.9° | 179.4° |
| C10 | C6 | N3 | H5 | 5.1° | 0.7° |
| C7 | N6 | C6 | N3 | 167.3° | 179.9° |
| N6 | C7 | C8 | H9 | 178.9° | 180.0° |
| N6 | C6 | N3 | C4 | 13.2° | 0.3° |
| N6 | C6 | N3 | H5 | 166.7° | 179.6° |
| C6 | N6 | C7 | H8 | 177.3° | 180.0° |
| C6 | N3 | C4 | H5 | 180.0° | 179.9° |
| C6 | N3 | C4 | C3 | 9.7° | 34.4° |
| C6 | N3 | C4 | C1 | 166.8° | 145.6° |
| N3 | C4 | C3 | C1 | 176.7° | 180.0° |
| N3 | C4 | C1 | C5 | 7.3° | 0.2° |
| N3 | C4 | C3 | C2 | 173.6° | 180.0° |
| N3 | C4 | C1 | N1 | 173.0° | 180.0° |
| N3 | C4 | C3 | H4 | 6.4° | 0.1° |
| O1 | C5 | C1 | C4 | 31.2° | 4.0° |
| O1 | C5 | C1 | N5 | 177.5° | 179.9° |
| O1 | C5 | C1 | N1 | 149.2° | 175.8° |
| O1 | C5 | N5 | C19 | 11.6° | 0.1° |
| O1 | C5 | N5 | H7 | 168.4° | 180.0° |
| C3 | C4 | C1 | C5 | 175.9° | 179.7° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C1 | N1 | 3.7° | 0.0° |
| C4 | C3 | C2 | N2 | 0.3° | 0.0° |
| C4 | C3 | C2 | N4 | 176.2° | 180.0° |
| C3 | C4 | N3 | H5 | 170.3° | 145.7° |
| C4 | C1 | C5 | N1 | 179.7° | 179.8° |
| C4 | C1 | C5 | N5 | 151.3° | 175.9° |
| C1 | C4 | C3 | C2 | 3.1° | 0.0° |
| C4 | C1 | N1 | N2 | 1.3° | 0.1° |
| C1 | C4 | C3 | H4 | 176.9° | 180.0° |
| C1 | C4 | N3 | H5 | 13.2° | 34.3° |
| O3 | C15 | C16 | C17 | 9.9° | 0.0° |
| O3 | C15 | N4 | C16 | 178.6° | 180.0° |
| O3 | C15 | N4 | C2 | 16.0° | 5.9° |
| O3 | C15 | C16 | C18 | 57.7° | 68.6° |
| O3 | C15 | C16 | H17 | 156.5° | 145.7° |
| O3 | C15 | N4 | H6 | 164.0° | 174.1° |
| C1 | C5 | N5 | C19 | 165.9° | 180.0° |
| C5 | C1 | N1 | N2 | 178.4° | 179.7° |
| C1 | C5 | N5 | H7 | 14.1° | 0.1° |
| N5 | C5 | C1 | N1 | 28.4° | 4.3° |
| C5 | N5 | C19 | H7 | 180.0° | 179.9° |
| C5 | N5 | C19 | H1 | 180.0° | 59.9° |
| C5 | N5 | C19 | H2 | 60.0° | 180.0° |
| C5 | N5 | C19 | H3 | 60.0° | 60.1° |
| C3 | C2 | N4 | C15 | 32.2° | 174.2° |
| C3 | C2 | N2 | N4 | 176.4° | 180.0° |
| C3 | C2 | N2 | N1 | 2.3° | 0.0° |
| C3 | C2 | N4 | H6 | 147.8° | 5.8° |
| C1 | N1 | N2 | C2 | 1.7° | 0.1° |
| N5 | C19 | H1 | H2 | 120.0° | 120.1° |
| N5 | C19 | H1 | H3 | 120.0° | 119.9° |
| N5 | C19 | H2 | H3 | 120.0° | 119.9° |
| C16 | C17 | C18 | H19 | 109.6° | 107.5° |
| C16 | C17 | C18 | H18 | 109.5° | 107.5° |
| C17 | C16 | C15 | N4 | 168.7° | 180.0° |
| C17 | C16 | C15 | C18 | 67.6° | 68.6° |
| C17 | C16 | C15 | H17 | 146.6° | 145.7° |
| C17 | C16 | C18 | H17 | 106.9° | 107.5° |
| C16 | C17 | C18 | H21 | 109.6° | 107.5° |
| C16 | C17 | C18 | H20 | 109.6° | 107.5° |
| C16 | C17 | H19 | H18 | 144.6° | 145.7° |
| C17 | C18 | H21 | H20 | 144.5° | 145.7° |
| C18 | C17 | H19 | H18 | 144.6° | 145.7° |
| C15 | N4 | C2 | N2 | 151.5° | 5.8° |
| C15 | N4 | C2 | H6 | 180.0° | 180.0° |
| N4 | C15 | C16 | C18 | 123.7° | 111.4° |
| N4 | C15 | C16 | H17 | 22.1° | 34.3° |
| C16 | C15 | N4 | C2 | 162.6° | 174.1° |
| C15 | C16 | C18 | H17 | 145.6° | 145.0° |
| C15 | C16 | C18 | H21 | 142.9° | 145.0° |
| C15 | C16 | C18 | H20 | 2.1° | 0.0° |
| C15 | C16 | C17 | H19 | 144.0° | 0.0° |
| C15 | C16 | C17 | H18 | 3.0° | 145.0° |
| C16 | C15 | N4 | H6 | 17.4° | 5.9° |
| N2 | C2 | C3 | H4 | 179.7° | 180.0° |
| N2 | C2 | N4 | H6 | 28.5° | 174.2° |
| N4 | C2 | N2 | N1 | 174.2° | 180.0° |
| N4 | C2 | C3 | H4 | 3.8° | 0.0° |
| C16 | C18 | H21 | H20 | 144.5° | 145.7° |
| H21 | C18 | C17 | H19 | 0.0° | 145.0° |
| H21 | C18 | C17 | H18 | 140.9° | 0.0° |
| H21 | C18 | C16 | H17 | 2.7° | 0.0° |
| H20 | C18 | C17 | H19 | 140.8° | 0.0° |
| H20 | C18 | C17 | H18 | 0.1° | 145.0° |
| H20 | C18 | C16 | H17 | 143.6° | 145.0° |
| H19 | C17 | C16 | H17 | 2.5° | 145.0° |
| H18 | C17 | C16 | H17 | 143.5° | 0.0° |
| H1 | C19 | H2 | H3 | 120.0° | 120.0° |
| H1 | C19 | N5 | H7 | 0.0° | 120.0° |
| H2 | C19 | N5 | H7 | 120.0° | 0.1° |
| H3 | C19 | N5 | H7 | 120.0° | 120.0° |
| H10 | C11 | H12 | H11 | 120.0° | 120.1° |
| H8 | C7 | C8 | H9 | 1.1° | 0.0° |
| H15 | C14 | H16 | H14 | 119.9° | 120.0° |
