NSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.36Å | 1.45Å | |
| N08 | N07 | doub | 1.29Å | 1.22Å | |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | N07 | sing | 1.37Å | 1.45Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | O15 | sing | 1.36Å | 1.40Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 119.7° | 120.2° |
| C02 | C03 | C04 | 120.3° | 119.8° |
| C03 | C02 | H2 | 120.1° | 119.9° |
| C02 | C03 | H3 | 119.8° | 120.0° |
| C02 | C01 | C06 | 120.0° | 120.3° |
| C02 | C01 | H1 | 120.0° | 119.8° |
| C01 | C02 | H2 | 120.1° | 119.9° |
| C13 | C14 | C09 | 120.1° | 119.9° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C14 | C13 | H8 | 120.2° | 120.0° |
| C13 | C14 | H9 | 119.9° | 120.0° |
| C14 | C09 | N08 | 119.4° | 120.1° |
| C14 | C09 | C10 | 120.2° | 119.8° |
| C09 | C14 | H9 | 120.0° | 120.0° |
| C03 | C04 | N07 | 120.2° | 120.2° |
| C03 | C04 | C05 | 119.9° | 119.6° |
| C04 | C03 | H3 | 119.9° | 120.1° |
| C13 | C12 | O15 | 120.1° | 119.9° |
| C13 | C12 | C11 | 120.2° | 120.2° |
| C12 | C13 | H8 | 120.1° | 119.9° |
| C09 | N08 | N07 | 121.5° | 120.0° |
| N08 | C09 | C10 | 120.4° | 120.1° |
| N08 | N07 | C04 | 119.1° | 120.0° |
| C01 | C06 | C05 | 120.3° | 120.1° |
| C06 | C01 | H1 | 120.0° | 119.8° |
| C01 | C06 | H5 | 119.9° | 119.9° |
| C09 | C10 | C11 | 119.6° | 119.9° |
| C09 | C10 | H6 | 120.2° | 120.1° |
| N07 | C04 | C05 | 119.9° | 120.2° |
| C04 | C05 | C06 | 119.8° | 119.9° |
| C04 | C05 | H4 | 120.1° | 120.0° |
| O15 | C12 | C11 | 119.7° | 119.9° |
| C12 | O15 | H10 | 109.5° | 114.0° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C12 | C11 | H7 | 119.9° | 119.9° |
| C06 | C05 | H4 | 120.1° | 120.1° |
| C05 | C06 | H5 | 119.9° | 119.9° |
| C11 | C10 | H6 | 120.2° | 120.0° |
| C10 | C11 | H7 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.1° |
| C02 | C03 | C04 | N07 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.0° |
| C03 | C02 | C01 | H1 | 179.6° | 179.7° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.6° |
| C02 | C01 | C06 | C05 | 0.3° | 0.1° |
| C01 | C02 | C03 | H3 | 179.6° | 179.9° |
| C02 | C01 | C06 | H5 | 179.7° | 179.7° |
| C13 | C14 | C09 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | C09 | N08 | 179.2° | 179.7° |
| C13 | C14 | C09 | C10 | 0.6° | 0.0° |
| C14 | C13 | C12 | O15 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C09 | C14 | C13 | C12 | 0.0° | 0.0° |
| C14 | C09 | N08 | C10 | 178.5° | 179.7° |
| C14 | C09 | N08 | N07 | 179.9° | 0.3° |
| C14 | C09 | C10 | C11 | 0.8° | 0.0° |
| C14 | C09 | C10 | H6 | 179.2° | 180.0° |
| C09 | C14 | C13 | H8 | 180.0° | 180.0° |
| C03 | C04 | N07 | N08 | 0.3° | 180.0° |
| C03 | C04 | N07 | C05 | 179.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H2 | 179.6° | 180.0° |
| C03 | C04 | C05 | H4 | 179.7° | 180.0° |
| C13 | C12 | O15 | C11 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H7 | 179.9° | 180.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C13 | C12 | O15 | H10 | 180.0° | 90.0° |
| C09 | N08 | N07 | C04 | 179.3° | 180.0° |
| N08 | C09 | C10 | C11 | 179.3° | 179.7° |
| N08 | C09 | C10 | H6 | 0.7° | 0.3° |
| N08 | C09 | C14 | H9 | 0.8° | 0.3° |
| N07 | N08 | C09 | C10 | 1.4° | 180.0° |
| N08 | N07 | C04 | C05 | 179.9° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H5 | 180.0° | 179.8° |
| C06 | C01 | C02 | H2 | 179.6° | 180.0° |
| C01 | C06 | C05 | H4 | 179.8° | 180.0° |
| C09 | C10 | C11 | C12 | 0.4° | 0.0° |
| C09 | C10 | C11 | H6 | 180.0° | 180.0° |
| C09 | C10 | C11 | H7 | 179.6° | 180.0° |
| C10 | C09 | C14 | H9 | 179.4° | 180.0° |
| N07 | C04 | C05 | C06 | 179.9° | 180.0° |
| N07 | C04 | C03 | H3 | 0.2° | 0.0° |
| N07 | C04 | C05 | H4 | 0.1° | 0.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | H3 | 179.6° | 180.0° |
| C04 | C05 | C06 | H5 | 179.8° | 179.8° |
| O15 | C12 | C11 | C10 | 180.0° | 180.0° |
| O15 | C12 | C11 | H7 | 0.0° | 0.0° |
| O15 | C12 | C13 | H8 | 0.2° | 0.0° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | H6 | 179.6° | 180.0° |
| C11 | C12 | C13 | H8 | 179.7° | 180.0° |
| C11 | C12 | O15 | H10 | 0.2° | 90.0° |
| C05 | C06 | C01 | H1 | 179.7° | 179.7° |
| H1 | C01 | C02 | H2 | 0.4° | 0.4° |
| H1 | C01 | C06 | H5 | 0.3° | 0.1° |
| H2 | C02 | C03 | H3 | 0.4° | 0.0° |
| H4 | C05 | C06 | H5 | 0.3° | 0.2° |
| H6 | C10 | C11 | H7 | 0.4° | 0.0° |
| H8 | C13 | C14 | H9 | 0.0° | 0.0° |
