L8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | P1 | sing | 1.81Å | 1.79Å | |
| O5 | P1 | doub | 1.48Å | 1.51Å | |
| P1 | O3 | sing | 1.61Å | 1.58Å | |
| P1 | O4 | sing | 1.61Å | 1.51Å | |
| O3 | C4 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.75Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | N1 | sing | 1.66Å | 1.59Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C10 | C9 | H8 | 119.9° | 120.0° |
| C9 | C10 | H9 | 119.9° | 120.0° |
| C9 | C8 | C7 | 119.9° | 120.0° |
| C9 | C8 | H7 | 120.1° | 120.0° |
| C8 | C9 | H8 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C11 | C10 | H9 | 120.0° | 120.0° |
| C10 | C11 | H10 | 120.0° | 120.0° |
| C8 | C7 | C12 | 119.0° | 120.1° |
| C8 | C7 | P1 | 120.9° | 120.0° |
| C7 | C8 | H7 | 120.0° | 120.0° |
| C11 | C12 | C7 | 120.7° | 120.0° |
| C12 | C11 | H10 | 120.0° | 120.0° |
| C11 | C12 | H11 | 119.6° | 120.0° |
| C12 | C7 | P1 | 120.1° | 120.0° |
| C7 | C12 | H11 | 119.6° | 120.0° |
| C7 | P1 | O5 | 106.6° | 109.5° |
| C7 | P1 | O3 | 104.2° | 109.4° |
| C7 | P1 | O4 | 108.6° | 109.4° |
| O5 | P1 | O3 | 111.3° | 109.5° |
| O5 | P1 | O4 | 114.4° | 109.5° |
| O3 | P1 | O4 | 111.0° | 109.5° |
| P1 | O3 | C4 | 126.6° | 114.0° |
| P1 | O4 | H12 | 109.5° | 114.0° |
| O3 | C4 | C3 | 119.2° | 120.1° |
| O3 | C4 | C5 | 120.4° | 120.1° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.4° | 119.9° |
| C4 | C3 | H4 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C3 | C2 | H3 | 119.9° | 120.0° |
| C2 | C3 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.3° | 119.9° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C2 | C1 | C6 | 120.5° | 120.1° |
| C2 | C1 | S1 | 119.5° | 119.9° |
| C1 | C2 | H3 | 119.9° | 120.0° |
| C5 | C6 | C1 | 119.4° | 120.1° |
| C6 | C5 | H5 | 120.4° | 120.1° |
| C5 | C6 | H6 | 120.3° | 119.9° |
| C6 | C1 | S1 | 120.0° | 119.9° |
| C1 | C6 | H6 | 120.3° | 120.0° |
| C1 | S1 | O1 | 107.2° | 106.4° |
| C1 | S1 | O2 | 107.3° | 106.4° |
| C1 | S1 | N1 | 109.1° | 107.2° |
| O1 | S1 | O2 | 118.2° | 123.2° |
| O1 | S1 | N1 | 107.5° | 106.4° |
| O2 | S1 | N1 | 107.3° | 106.4° |
| S1 | N1 | H1 | 109.5° | 119.9° |
| S1 | N1 | H2 | 109.5° | 120.0° |
| H1 | N1 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C9 | C8 | C7 | C12 | 0.0° | 0.0° |
| C9 | C8 | C7 | P1 | 179.9° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C7 | 0.0° | 0.0° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C8 | C7 | C12 | C11 | 0.1° | 0.0° |
| C8 | C7 | C12 | P1 | 179.9° | 179.7° |
| C8 | C7 | P1 | O5 | 12.2° | 115.3° |
| C8 | C7 | P1 | O3 | 130.1° | 4.7° |
| C8 | C7 | P1 | O4 | 111.5° | 124.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C12 | H11 | 180.0° | 179.7° |
| C11 | C12 | C7 | H11 | 180.0° | 179.7° |
| C11 | C12 | C7 | P1 | 180.0° | 179.7° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C7 | P1 | O5 | 167.7° | 65.0° |
| C12 | C7 | P1 | O3 | 49.8° | 175.0° |
| C12 | C7 | P1 | O4 | 68.6° | 55.0° |
| C12 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C12 | C11 | H10 | 180.0° | 180.0° |
| C7 | P1 | O5 | O3 | 113.1° | 120.0° |
| C7 | P1 | O5 | O4 | 120.1° | 120.0° |
| C7 | P1 | O3 | O4 | 116.8° | 119.9° |
| C7 | P1 | O3 | C4 | 173.8° | 175.0° |
| P1 | C7 | C8 | H7 | 0.1° | 0.3° |
| P1 | C7 | C12 | H11 | 0.1° | 0.0° |
| C7 | P1 | O4 | H12 | 118.9° | 60.0° |
| O5 | P1 | O3 | O4 | 128.7° | 120.1° |
| O5 | P1 | O3 | C4 | 71.6° | 55.0° |
| O5 | P1 | O4 | H12 | 0.0° | 180.0° |
| P1 | O3 | C4 | C3 | 106.3° | 90.0° |
| P1 | O3 | C4 | C5 | 73.9° | 90.0° |
| O3 | P1 | O4 | H12 | 127.0° | 60.0° |
| O4 | P1 | O3 | C4 | 57.1° | 65.0° |
| O3 | C4 | C3 | C5 | 179.8° | 179.9° |
| O3 | C4 | C3 | C2 | 179.9° | 180.0° |
| O3 | C4 | C5 | C6 | 179.9° | 180.0° |
| O3 | C4 | C3 | H4 | 0.1° | 0.1° |
| O3 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.0° | 0.0° |
| C3 | C2 | C1 | S1 | 179.9° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | S1 | 179.9° | 179.8° |
| C2 | C1 | S1 | O1 | 11.3° | 23.8° |
| C2 | C1 | S1 | O2 | 116.6° | 156.7° |
| C2 | C1 | S1 | N1 | 127.5° | 89.7° |
| C1 | C2 | C3 | H4 | 180.0° | 179.9° |
| C2 | C1 | C6 | H6 | 180.0° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 179.7° |
| C5 | C6 | C1 | S1 | 179.9° | 179.7° |
| C6 | C1 | S1 | O1 | 168.8° | 156.4° |
| C6 | C1 | S1 | O2 | 63.3° | 23.5° |
| C6 | C1 | S1 | N1 | 52.6° | 90.0° |
| C6 | C1 | C2 | H3 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | S1 | O1 | O2 | 121.3° | 122.9° |
| C1 | S1 | O1 | N1 | 117.2° | 114.1° |
| C1 | S1 | O2 | N1 | 117.1° | 114.1° |
| C1 | S1 | N1 | H1 | 180.0° | 150.0° |
| C1 | S1 | N1 | H2 | 60.0° | 30.0° |
| S1 | C1 | C2 | H3 | 0.0° | 0.3° |
| S1 | C1 | C6 | H6 | 0.1° | 0.0° |
| O1 | S1 | O2 | N1 | 121.7° | 123.0° |
| O1 | S1 | N1 | H1 | 64.1° | 36.5° |
| O1 | S1 | N1 | H2 | 56.0° | 143.5° |
| O2 | S1 | N1 | H1 | 64.1° | 96.5° |
| O2 | S1 | N1 | H2 | 175.9° | 83.5° |
| S1 | N1 | H1 | H2 | 120.0° | 180.0° |
| H3 | C2 | C3 | H4 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.3° |
| H7 | C8 | C9 | H8 | 0.0° | 0.0° |
| H8 | C9 | C10 | H9 | 0.0° | 0.0° |
| H9 | C10 | C11 | H10 | 0.0° | 0.1° |
| H10 | C11 | C12 | H11 | 0.0° | 0.3° |
