60L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.50Å | |
| N13 | C12 | sing | 1.47Å | 1.43Å | |
| C5 | C6 | doub | 1.40Å | 1.34Å | Aromatic |
| C2 | C12 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.54Å | |
| C7 | C11 | doub | 1.35Å | 1.42Å | Aromatic |
| C7 | S8 | sing | 1.76Å | 1.64Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.53Å | Aromatic |
| C10 | C9 | doub | 1.34Å | 1.46Å | Aromatic |
| S8 | C9 | sing | 1.76Å | 1.59Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| N13 | H4 | sing | 1.01Å | 1.00Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C4 | C3 | C2 | 119.8° | 120.3° |
| C4 | C3 | H8 | 120.1° | 119.8° |
| C3 | C4 | H9 | 120.1° | 120.0° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| C5 | C4 | H9 | 120.1° | 119.9° |
| C4 | C5 | H10 | 119.4° | 120.1° |
| C3 | C2 | C12 | 118.5° | 119.9° |
| C3 | C2 | C1 | 120.1° | 120.1° |
| C2 | C3 | H8 | 120.1° | 119.9° |
| C14 | N13 | C12 | 109.9° | 111.0° |
| N13 | C14 | H1 | 109.5° | 109.5° |
| N13 | C14 | H2 | 109.4° | 109.5° |
| N13 | C14 | H3 | 109.5° | 109.5° |
| C14 | N13 | H4 | 109.3° | 110.9° |
| N13 | C12 | C2 | 117.9° | 109.5° |
| C12 | N13 | H4 | 109.4° | 111.0° |
| N13 | C12 | H6 | 107.3° | 109.5° |
| N13 | C12 | H7 | 107.3° | 109.5° |
| C5 | C6 | C1 | 119.3° | 119.7° |
| C5 | C6 | C7 | 119.0° | 120.2° |
| C6 | C5 | H10 | 119.5° | 120.0° |
| C12 | C2 | C1 | 121.4° | 119.9° |
| C2 | C12 | H6 | 107.3° | 109.5° |
| C2 | C12 | H7 | 107.3° | 109.5° |
| C2 | C1 | C6 | 119.9° | 119.8° |
| C2 | C1 | H11 | 120.0° | 120.1° |
| C1 | C6 | C7 | 121.7° | 120.1° |
| C6 | C1 | H11 | 120.0° | 120.1° |
| C6 | C7 | C11 | 125.6° | 125.3° |
| C6 | C7 | S8 | 125.5° | 125.3° |
| C11 | C7 | S8 | 109.0° | 109.4° |
| C7 | C11 | C10 | 110.0° | 114.8° |
| C7 | C11 | H12 | 125.0° | 122.6° |
| C7 | S8 | C9 | 102.1° | 91.0° |
| C11 | C10 | C9 | 109.8° | 115.0° |
| C10 | C11 | H12 | 125.0° | 122.6° |
| C11 | C10 | H13 | 125.1° | 122.5° |
| C10 | C9 | S8 | 109.2° | 109.8° |
| C9 | C10 | H13 | 125.1° | 122.5° |
| C10 | C9 | H14 | 125.4° | 125.1° |
| S8 | C9 | H14 | 125.4° | 125.2° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | C12 | 179.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C3 | C4 | C5 | H10 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | H10 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.4° | 0.2° |
| C4 | C5 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | C3 | H8 | 180.0° | 179.9° |
| C3 | C2 | C12 | N13 | 62.8° | 89.7° |
| C3 | C2 | C12 | C1 | 179.9° | 179.7° |
| C3 | C2 | C1 | C6 | 0.0° | 0.5° |
| C3 | C2 | C12 | H6 | 176.0° | 150.3° |
| C3 | C2 | C12 | H7 | 58.4° | 30.3° |
| C2 | C3 | C4 | H9 | 179.9° | 179.9° |
| C3 | C2 | C1 | H11 | 180.0° | 179.8° |
| C14 | N13 | C12 | H4 | 120.1° | 123.9° |
| C14 | N13 | C12 | C2 | 160.5° | 180.0° |
| N13 | C14 | H1 | H2 | 120.0° | 120.0° |
| N13 | C14 | H1 | H3 | 120.0° | 120.1° |
| N13 | C14 | H2 | H3 | 120.0° | 120.1° |
| C14 | N13 | C12 | H6 | 78.3° | 60.0° |
| C14 | N13 | C12 | H7 | 39.3° | 60.0° |
| N13 | C12 | C2 | H6 | 121.2° | 120.0° |
| N13 | C12 | C2 | H7 | 121.2° | 120.0° |
| N13 | C12 | C2 | C1 | 117.1° | 90.0° |
| C12 | N13 | C14 | H1 | 180.0° | 59.9° |
| C12 | N13 | C14 | H2 | 60.0° | 60.0° |
| C12 | N13 | C14 | H3 | 60.0° | 180.0° |
| N13 | C12 | H6 | H7 | 116.1° | 120.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.5° |
| C5 | C6 | C1 | C7 | 179.9° | 179.8° |
| C5 | C6 | C7 | C11 | 6.0° | 0.0° |
| C5 | C6 | C7 | S8 | 174.0° | 180.0° |
| C6 | C5 | C4 | H9 | 179.8° | 180.0° |
| C5 | C6 | C1 | H11 | 179.7° | 179.8° |
| C12 | C2 | C1 | C6 | 179.9° | 179.8° |
| C2 | C12 | N13 | H4 | 40.4° | 56.1° |
| C2 | C12 | H6 | H7 | 116.2° | 120.0° |
| C12 | C2 | C3 | H8 | 0.2° | 0.0° |
| C12 | C2 | C1 | H11 | 0.1° | 0.1° |
| C2 | C1 | C6 | H11 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 179.7° | 179.7° |
| C1 | C2 | C12 | H6 | 4.1° | 30.0° |
| C1 | C2 | C12 | H7 | 121.6° | 150.0° |
| C1 | C2 | C3 | H8 | 179.8° | 179.7° |
| C1 | C6 | C7 | C11 | 173.9° | 179.8° |
| C1 | C6 | C7 | S8 | 6.1° | 0.2° |
| C1 | C6 | C5 | H10 | 179.6° | 179.8° |
| C6 | C7 | C11 | S8 | 180.0° | 180.0° |
| C6 | C7 | C11 | C10 | 179.7° | 180.0° |
| C6 | C7 | S8 | C9 | 179.6° | 180.0° |
| C7 | C6 | C5 | H10 | 0.5° | 0.0° |
| C7 | C6 | C1 | H11 | 0.3° | 0.0° |
| C6 | C7 | C11 | H12 | 0.3° | 0.1° |
| C7 | C11 | C10 | H12 | 180.0° | 180.0° |
| C7 | C11 | C10 | C9 | 0.0° | 0.0° |
| C11 | C7 | S8 | C9 | 0.4° | 0.0° |
| C7 | C11 | C10 | H13 | 180.0° | 180.0° |
| S8 | C7 | C11 | C10 | 0.3° | 0.0° |
| C7 | S8 | C9 | C10 | 0.4° | 0.0° |
| S8 | C7 | C11 | H12 | 179.7° | 180.0° |
| C7 | S8 | C9 | H14 | 179.6° | 179.9° |
| C11 | C10 | C9 | H13 | 180.0° | 180.0° |
| C11 | C10 | C9 | S8 | 0.3° | 0.0° |
| C11 | C10 | C9 | H14 | 179.7° | 179.9° |
| C10 | C9 | S8 | H14 | 180.0° | 179.9° |
| C9 | C10 | C11 | H12 | 180.0° | 180.0° |
| S8 | C9 | C10 | H13 | 179.7° | 180.0° |
| H1 | C14 | H2 | H3 | 120.0° | 119.9° |
| H1 | C14 | N13 | H4 | 59.9° | 64.0° |
| H2 | C14 | N13 | H4 | 60.1° | 176.1° |
| H3 | C14 | N13 | H4 | 179.9° | 56.0° |
| H4 | N13 | C12 | H6 | 161.6° | 176.1° |
| H4 | N13 | C12 | H7 | 80.8° | 63.9° |
| H8 | C3 | C4 | H9 | 0.1° | 0.0° |
| H9 | C4 | C5 | H10 | 0.2° | 0.0° |
| H12 | C11 | C10 | H13 | 0.0° | 0.0° |
| H13 | C10 | C9 | H14 | 0.3° | 0.1° |
