L7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | N5 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| N5 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.35Å | Aromatic |
| N | N1 | sing | 1.45Å | 1.42Å | |
| C | C10 | sing | 1.53Å | 1.54Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C | N1 | sing | 1.47Å | 1.47Å | |
| C15 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C1 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.29Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.36Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| N1 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C4 | 120.7° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C9 | C8 | H22 | 119.9° | 120.0° |
| C8 | C9 | H23 | 119.6° | 120.0° |
| C9 | C4 | C3 | 120.4° | 120.0° |
| C9 | C4 | C5 | 118.4° | 120.0° |
| C4 | C9 | H23 | 119.7° | 120.0° |
| C8 | C7 | C6 | 119.7° | 120.0° |
| C8 | C7 | H21 | 120.2° | 120.0° |
| C7 | C8 | H22 | 119.9° | 120.0° |
| C4 | C3 | C2 | 114.3° | 109.5° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | H17 | 108.3° | 109.5° |
| C4 | C3 | H18 | 108.3° | 109.5° |
| C3 | C2 | N5 | 111.9° | 109.5° |
| C3 | C2 | H15 | 108.9° | 109.4° |
| C3 | C2 | H16 | 108.9° | 109.4° |
| C2 | C3 | H17 | 108.3° | 109.5° |
| C2 | C3 | H18 | 108.3° | 109.4° |
| C4 | C5 | C6 | 120.8° | 120.0° |
| C4 | C5 | H19 | 119.6° | 120.0° |
| C7 | C6 | C5 | 120.2° | 120.1° |
| C7 | C6 | H20 | 119.9° | 120.0° |
| C6 | C7 | H21 | 120.1° | 120.0° |
| C2 | N5 | C1 | 131.5° | 126.5° |
| C2 | N5 | N4 | 120.0° | 126.4° |
| N5 | C2 | H15 | 108.9° | 109.5° |
| N5 | C2 | H16 | 108.9° | 109.5° |
| C6 | C5 | H19 | 119.6° | 120.0° |
| C5 | C6 | H20 | 119.9° | 120.0° |
| C12 | C11 | C10 | 112.0° | 109.4° |
| C11 | C12 | C13 | 111.2° | 109.5° |
| C12 | C11 | H5 | 108.8° | 109.4° |
| C12 | C11 | H6 | 108.8° | 109.5° |
| C11 | C12 | H7 | 109.1° | 109.5° |
| C11 | C12 | H8 | 109.1° | 109.4° |
| C11 | C10 | C | 111.7° | 109.5° |
| C11 | C10 | C15 | 109.5° | 109.5° |
| C11 | C10 | H4 | 108.0° | 109.5° |
| C10 | C11 | H5 | 108.9° | 109.5° |
| C10 | C11 | H6 | 108.8° | 109.5° |
| C15 | C14 | C13 | 111.1° | 109.5° |
| C14 | C15 | C10 | 112.0° | 109.5° |
| C15 | C14 | H11 | 109.0° | 109.5° |
| C15 | C14 | H12 | 109.1° | 109.5° |
| C14 | C15 | H13 | 108.8° | 109.5° |
| C14 | C15 | H14 | 108.9° | 109.4° |
| C14 | C13 | C12 | 110.7° | 109.5° |
| C14 | C13 | H9 | 109.1° | 109.5° |
| C14 | C13 | H10 | 109.2° | 109.5° |
| C13 | C14 | H11 | 109.1° | 109.5° |
| C13 | C14 | H12 | 109.0° | 109.4° |
| C1 | N5 | N4 | 108.5° | 107.1° |
| N5 | C1 | C | 128.8° | 126.7° |
| N5 | C1 | N2 | 108.6° | 106.7° |
| N5 | N4 | N3 | 106.0° | 108.8° |
| N | N1 | C | 111.6° | 111.0° |
| N1 | N | H1 | 109.5° | 111.0° |
| N1 | N | H2 | 109.5° | 111.0° |
| N | N1 | H24 | 109.0° | 111.0° |
| C10 | C | C1 | 106.1° | 109.4° |
| C10 | C | N1 | 109.7° | 109.5° |
| C | C10 | C15 | 111.7° | 109.4° |
| C10 | C | H3 | 109.6° | 109.5° |
| C | C10 | H4 | 107.9° | 109.5° |
| C1 | C | N1 | 111.0° | 109.5° |
| C | C1 | N2 | 122.6° | 126.6° |
| C1 | C | H3 | 109.9° | 109.4° |
| N1 | C | H3 | 110.4° | 109.5° |
| C | N1 | H24 | 108.9° | 111.0° |
| C15 | C10 | H4 | 108.0° | 109.5° |
| C10 | C15 | H13 | 108.8° | 109.5° |
| C10 | C15 | H14 | 108.8° | 109.5° |
| C13 | C12 | H7 | 109.0° | 109.5° |
| C13 | C12 | H8 | 109.0° | 109.4° |
| C12 | C13 | H9 | 109.2° | 109.4° |
| C12 | C13 | H10 | 109.2° | 109.4° |
| C1 | N2 | N3 | 105.8° | 108.0° |
| N4 | N3 | N2 | 111.2° | 109.4° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.4° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C4 | H23 | 180.0° | 179.4° |
| C9 | C8 | C7 | H22 | 180.0° | 179.6° |
| C8 | C9 | C4 | C3 | 176.9° | 179.7° |
| C8 | C9 | C4 | C5 | 0.8° | 0.6° |
| C9 | C8 | C7 | C6 | 0.4° | 0.3° |
| C9 | C8 | C7 | H21 | 179.6° | 179.7° |
| C4 | C9 | C8 | C7 | 0.2° | 0.6° |
| C9 | C4 | C3 | C5 | 177.6° | 179.7° |
| C9 | C4 | C3 | C2 | 155.3° | 90.3° |
| C9 | C4 | C5 | C6 | 0.8° | 0.3° |
| C9 | C4 | C3 | H17 | 34.6° | 149.7° |
| C9 | C4 | C3 | H18 | 83.9° | 29.7° |
| C9 | C4 | C5 | H19 | 179.2° | 179.7° |
| C4 | C9 | C8 | H22 | 179.8° | 179.7° |
| C8 | C7 | C6 | H21 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H20 | 179.6° | 180.0° |
| C7 | C8 | C9 | H23 | 179.8° | 180.0° |
| C4 | C3 | C2 | H17 | 120.7° | 120.0° |
| C4 | C3 | C2 | H18 | 120.7° | 120.0° |
| C4 | C3 | C2 | N5 | 66.5° | 180.0° |
| C3 | C4 | C5 | C6 | 176.8° | 180.0° |
| C4 | C3 | C2 | H15 | 53.9° | 60.0° |
| C4 | C3 | C2 | H16 | 173.1° | 60.0° |
| C4 | C3 | H17 | H18 | 117.8° | 120.0° |
| C3 | C4 | C5 | H19 | 3.2° | 0.0° |
| C3 | C4 | C9 | H23 | 3.1° | 0.3° |
| C2 | C3 | C4 | C5 | 27.1° | 90.0° |
| C3 | C2 | N5 | H15 | 120.4° | 119.9° |
| C3 | C2 | N5 | H16 | 120.4° | 120.0° |
| C3 | C2 | N5 | C1 | 57.1° | 90.0° |
| C3 | C2 | N5 | N4 | 120.0° | 89.9° |
| C3 | C2 | H15 | H16 | 118.9° | 120.0° |
| C2 | C3 | H17 | H18 | 117.8° | 120.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | H19 | 180.0° | 180.0° |
| C5 | C4 | C3 | H17 | 147.8° | 30.0° |
| C5 | C4 | C3 | H18 | 93.7° | 150.0° |
| C4 | C5 | C6 | H20 | 179.7° | 180.0° |
| C5 | C4 | C9 | H23 | 179.2° | 180.0° |
| C7 | C6 | C5 | H20 | 180.0° | 180.0° |
| C7 | C6 | C5 | H19 | 179.7° | 180.0° |
| C6 | C7 | C8 | H22 | 179.6° | 180.0° |
| C2 | N5 | C1 | N4 | 177.4° | 179.9° |
| C2 | N5 | C1 | C | 3.3° | 0.0° |
| C2 | N5 | C1 | N2 | 176.8° | 179.8° |
| C2 | N5 | N4 | N3 | 177.1° | 179.7° |
| N5 | C2 | H15 | H16 | 118.9° | 120.1° |
| N5 | C2 | C3 | H17 | 172.8° | 59.9° |
| N5 | C2 | C3 | H18 | 54.2° | 60.1° |
| C5 | C6 | C7 | H21 | 179.7° | 180.0° |
| C12 | C11 | C10 | H5 | 120.4° | 119.9° |
| C12 | C11 | C10 | H6 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 25.0° | 60.0° |
| C12 | C11 | C10 | C | 171.6° | 179.9° |
| C12 | C11 | C10 | C15 | 64.2° | 60.0° |
| C11 | C12 | C13 | H7 | 120.3° | 120.0° |
| C11 | C12 | C13 | H8 | 120.3° | 120.0° |
| C12 | C11 | C10 | H4 | 53.2° | 60.0° |
| C12 | C11 | H5 | H6 | 118.8° | 120.0° |
| C11 | C12 | H7 | H8 | 119.3° | 119.9° |
| C11 | C12 | C13 | H9 | 95.2° | 60.0° |
| C11 | C12 | C13 | H10 | 145.2° | 180.0° |
| C11 | C10 | C15 | C14 | 23.6° | 60.0° |
| C11 | C10 | C | C15 | 123.0° | 120.0° |
| C11 | C10 | C | H4 | 118.5° | 120.0° |
| C11 | C10 | C | C1 | 64.9° | 63.1° |
| C11 | C10 | C | N1 | 175.1° | 176.9° |
| C11 | C10 | C15 | H4 | 117.3° | 120.1° |
| C10 | C11 | C12 | C13 | 37.6° | 60.0° |
| C11 | C10 | C | H3 | 53.8° | 56.9° |
| C10 | C11 | H5 | H6 | 118.9° | 120.0° |
| C10 | C11 | C12 | H7 | 157.9° | 179.9° |
| C10 | C11 | C12 | H8 | 82.6° | 60.0° |
| C11 | C10 | C15 | H13 | 96.8° | 179.9° |
| C11 | C10 | C15 | H14 | 144.0° | 59.9° |
| C15 | C14 | C13 | H11 | 120.2° | 120.0° |
| C15 | C14 | C13 | H12 | 120.3° | 120.0° |
| C14 | C15 | C10 | C | 147.8° | 180.0° |
| C14 | C15 | C10 | H13 | 120.4° | 120.0° |
| C14 | C15 | C10 | H14 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 65.4° | 60.0° |
| C14 | C15 | C10 | H4 | 93.7° | 60.0° |
| C15 | C14 | C13 | H9 | 54.8° | 60.0° |
| C15 | C14 | C13 | H10 | 174.4° | 179.9° |
| C15 | C14 | H11 | H12 | 119.3° | 120.0° |
| C14 | C15 | H13 | H14 | 118.9° | 120.0° |
| C13 | C14 | C15 | C10 | 38.0° | 60.0° |
| C14 | C13 | C12 | H9 | 120.2° | 120.0° |
| C14 | C13 | C12 | H10 | 120.2° | 120.0° |
| C14 | C13 | C12 | H7 | 95.3° | 180.0° |
| C14 | C13 | C12 | H8 | 145.3° | 60.0° |
| C14 | C13 | H9 | H10 | 119.4° | 120.1° |
| C13 | C14 | H11 | H12 | 119.2° | 120.0° |
| C13 | C14 | C15 | H13 | 158.3° | 180.0° |
| C13 | C14 | C15 | H14 | 82.4° | 60.0° |
| N5 | C1 | C | C10 | 126.5° | 104.7° |
| N5 | C1 | C | N2 | 179.9° | 179.7° |
| N5 | C1 | C | N1 | 114.4° | 135.3° |
| C1 | N5 | N4 | N3 | 0.6° | 0.4° |
| N5 | C1 | N2 | N3 | 0.3° | 0.2° |
| N5 | C1 | C | H3 | 8.1° | 15.2° |
| C1 | N5 | C2 | H15 | 177.5° | 29.9° |
| C1 | N5 | C2 | H16 | 63.2° | 150.0° |
| N4 | N5 | C1 | C | 179.3° | 179.8° |
| N4 | N5 | C1 | N2 | 0.6° | 0.4° |
| N5 | N4 | N3 | N2 | 0.4° | 0.3° |
| N4 | N5 | C2 | H15 | 0.4° | 150.2° |
| N4 | N5 | C2 | H16 | 119.6° | 30.2° |
| N | N1 | C | C10 | 157.5° | 56.2° |
| N | N1 | C | C1 | 85.6° | 63.7° |
| N | N1 | C | H24 | 120.3° | 124.0° |
| N1 | N | H1 | H2 | 120.0° | 123.9° |
| N | N1 | C | H3 | 36.6° | 176.3° |
| C10 | C | C1 | N1 | 119.1° | 120.0° |
| C10 | C | C1 | H3 | 118.4° | 120.0° |
| C10 | C | N1 | H3 | 120.9° | 120.0° |
| C | C10 | C15 | H4 | 118.5° | 120.0° |
| C10 | C | C1 | N2 | 53.7° | 75.0° |
| C | C10 | C11 | H5 | 51.2° | 60.0° |
| C | C10 | C11 | H6 | 68.0° | 60.0° |
| C | C10 | C15 | H13 | 27.4° | 60.0° |
| C | C10 | C15 | H14 | 91.8° | 60.0° |
| C10 | C | N1 | H24 | 82.2° | 67.7° |
| C1 | C | N1 | H3 | 122.2° | 120.0° |
| C1 | C | C10 | C15 | 172.1° | 176.9° |
| C | C1 | N2 | N3 | 179.6° | 180.0° |
| C1 | C | C10 | H4 | 53.6° | 57.0° |
| C1 | C | N1 | H24 | 34.7° | 172.3° |
| N1 | C | C10 | C15 | 52.1° | 56.9° |
| N1 | C | C1 | N2 | 65.4° | 45.0° |
| C | N1 | N | H1 | 180.0° | 173.8° |
| C | N1 | N | H2 | 60.0° | 62.3° |
| N1 | C | C10 | H4 | 66.4° | 63.1° |
| C15 | C10 | C | H3 | 69.2° | 63.1° |
| C15 | C10 | C11 | H5 | 175.5° | 60.0° |
| C15 | C10 | C11 | H6 | 56.2° | 180.0° |
| C10 | C15 | C14 | H11 | 158.3° | 180.0° |
| C10 | C15 | C14 | H12 | 82.2° | 60.0° |
| C10 | C15 | H13 | H14 | 118.8° | 120.0° |
| C13 | C12 | C11 | H5 | 158.0° | 60.0° |
| C13 | C12 | C11 | H6 | 82.7° | 180.0° |
| C13 | C12 | H7 | H8 | 119.2° | 120.0° |
| C12 | C13 | H9 | H10 | 119.4° | 119.9° |
| C12 | C13 | C14 | H11 | 174.4° | 180.0° |
| C12 | C13 | C14 | H12 | 54.9° | 60.0° |
| C1 | N2 | N3 | N4 | 0.1° | 0.0° |
| N2 | C1 | C | H3 | 172.1° | 165.0° |
| H1 | N | N1 | H24 | 59.7° | 62.3° |
| H2 | N | N1 | H24 | 60.3° | 61.6° |
| H3 | C | C10 | H4 | 172.2° | 176.9° |
| H3 | C | N1 | H24 | 156.9° | 52.3° |
| H4 | C10 | C11 | H5 | 67.2° | 180.0° |
| H4 | C10 | C11 | H6 | 173.5° | 60.0° |
| H4 | C10 | C15 | H13 | 145.9° | 60.0° |
| H4 | C10 | C15 | H14 | 26.7° | 180.0° |
| H5 | C11 | C12 | H7 | 81.7° | 60.1° |
| H5 | C11 | C12 | H8 | 37.8° | 179.9° |
| H6 | C11 | C12 | H7 | 37.5° | 59.9° |
| H6 | C11 | C12 | H8 | 157.0° | 60.0° |
| H7 | C12 | C13 | H9 | 144.5° | 60.0° |
| H7 | C12 | C13 | H10 | 24.9° | 60.0° |
| H8 | C12 | C13 | H9 | 25.1° | 180.0° |
| H8 | C12 | C13 | H10 | 94.5° | 60.0° |
| H9 | C13 | C14 | H11 | 65.4° | 60.0° |
| H9 | C13 | C14 | H12 | 175.1° | 180.0° |
| H10 | C13 | C14 | H11 | 54.2° | 60.1° |
| H10 | C13 | C14 | H12 | 65.3° | 59.9° |
| H11 | C14 | C15 | H13 | 81.4° | 60.0° |
| H11 | C14 | C15 | H14 | 37.9° | 60.0° |
| H12 | C14 | C15 | H13 | 38.1° | 60.0° |
| H12 | C14 | C15 | H14 | 157.4° | 180.0° |
| H15 | C2 | C3 | H17 | 66.8° | 60.0° |
| H15 | C2 | C3 | H18 | 174.6° | 180.0° |
| H16 | C2 | C3 | H17 | 52.4° | 180.0° |
| H16 | C2 | C3 | H18 | 66.2° | 60.0° |
| H19 | C5 | C6 | H20 | 0.3° | 0.0° |
| H20 | C6 | C7 | H21 | 0.4° | 0.0° |
| H21 | C7 | C8 | H22 | 0.4° | 0.1° |
| H22 | C8 | C9 | H23 | 0.2° | 0.4° |
