N8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S03 | C02 | sing | 1.76Å | 1.77Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C02 | N01 | doub | 1.31Å | 1.32Å | Aromatic |
| C02 | N04 | sing | 1.37Å | 1.40Å | Aromatic |
| C05 | N04 | sing | 1.46Å | 1.44Å | |
| N01 | N16 | sing | 1.28Å | 1.38Å | Aromatic |
| N04 | C07 | sing | 1.38Å | 1.33Å | Aromatic |
| CL1 | C14 | sing | 1.74Å | 1.78Å | |
| C07 | N16 | doub | 1.31Å | 1.44Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.51Å | |
| C14 | C08 | sing | 1.41Å | 1.35Å | Aromatic |
| C14 | C12 | doub | 1.35Å | 1.38Å | Aromatic |
| C08 | N09 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | N10 | sing | 1.35Å | 1.33Å | Aromatic |
| N09 | N10 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| S03 | H1 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S03 | C02 | N01 | 125.9° | 126.4° |
| S03 | C02 | N04 | 118.7° | 126.4° |
| C02 | S03 | H1 | 102.0° | 100.0° |
| C06 | C05 | N04 | 108.2° | 109.5° |
| C06 | C05 | H2 | 109.8° | 109.5° |
| C06 | C05 | H3 | 109.8° | 109.5° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.5° | 109.5° |
| C05 | C06 | H6 | 109.5° | 109.5° |
| N01 | C02 | N04 | 114.2° | 107.3° |
| C02 | N01 | N16 | 106.0° | 110.1° |
| C02 | N04 | C05 | 127.2° | 127.2° |
| C02 | N04 | C07 | 103.5° | 105.6° |
| C05 | N04 | C07 | 129.3° | 127.2° |
| N04 | C05 | H2 | 109.8° | 109.4° |
| N04 | C05 | H3 | 109.8° | 109.5° |
| N01 | N16 | C07 | 105.9° | 110.0° |
| N04 | C07 | N16 | 110.4° | 107.1° |
| N04 | C07 | C08 | 125.8° | 126.5° |
| CL1 | C14 | C08 | 125.7° | 126.1° |
| CL1 | C14 | C12 | 127.7° | 126.1° |
| N16 | C07 | C08 | 123.8° | 126.4° |
| C07 | C08 | C14 | 123.5° | 126.1° |
| C07 | C08 | N09 | 125.3° | 126.0° |
| C08 | C14 | C12 | 106.7° | 107.8° |
| C14 | C08 | N09 | 111.2° | 107.9° |
| C14 | C12 | C13 | 126.2° | 125.9° |
| C14 | C12 | N10 | 107.0° | 108.0° |
| C08 | N09 | N10 | 105.0° | 108.1° |
| C13 | C12 | N10 | 126.8° | 126.0° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.4° | 109.5° |
| C12 | N10 | N09 | 110.1° | 108.2° |
| C12 | N10 | C11 | 125.6° | 125.9° |
| N09 | N10 | C11 | 124.3° | 125.9° |
| N10 | C11 | H7 | 109.5° | 109.5° |
| N10 | C11 | H8 | 109.5° | 109.5° |
| N10 | C11 | H9 | 109.5° | 109.5° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H4 | C06 | H6 | 109.4° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.4° | 109.4° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H12 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S03 | C02 | N01 | N04 | 167.4° | 180.0° |
| S03 | C02 | N04 | C05 | 11.4° | 0.0° |
| S03 | C02 | N01 | N16 | 169.1° | 180.0° |
| S03 | C02 | N04 | C07 | 170.5° | 180.0° |
| C06 | C05 | N04 | C02 | 104.8° | 90.0° |
| C06 | C05 | N04 | H2 | 119.8° | 120.0° |
| C06 | C05 | N04 | H3 | 119.8° | 120.0° |
| C06 | C05 | N04 | C07 | 72.7° | 90.0° |
| C06 | C05 | H2 | H3 | 120.6° | 120.0° |
| C05 | C06 | H4 | H5 | 120.0° | 120.0° |
| C05 | C06 | H4 | H6 | 120.0° | 120.0° |
| C05 | C06 | H5 | H6 | 120.0° | 120.0° |
| N01 | C02 | N04 | C05 | 179.8° | 180.0° |
| N01 | C02 | N04 | C07 | 2.2° | 0.0° |
| C02 | N01 | N16 | C07 | 0.5° | 0.0° |
| N01 | C02 | S03 | H1 | 0.0° | 90.0° |
| C02 | N04 | C05 | C07 | 177.6° | 180.0° |
| N04 | C02 | N01 | N16 | 1.7° | 0.0° |
| C02 | N04 | C07 | N16 | 1.7° | 0.0° |
| C02 | N04 | C07 | C08 | 179.4° | 180.0° |
| C02 | N04 | C05 | H2 | 14.9° | 150.0° |
| C02 | N04 | C05 | H3 | 135.4° | 30.0° |
| N04 | C02 | S03 | H1 | 166.9° | 90.0° |
| C05 | N04 | C07 | N16 | 179.7° | 180.0° |
| C05 | N04 | C07 | C08 | 1.4° | 0.0° |
| N04 | C05 | H2 | H3 | 120.6° | 120.0° |
| N04 | C05 | C06 | H4 | 180.0° | 60.0° |
| N04 | C05 | C06 | H5 | 60.0° | 60.0° |
| N04 | C05 | C06 | H6 | 60.0° | 180.0° |
| N01 | N16 | C07 | N04 | 0.8° | 0.0° |
| N01 | N16 | C07 | C08 | 179.7° | 180.0° |
| N04 | C07 | N16 | C08 | 178.9° | 180.0° |
| N04 | C07 | C08 | C14 | 114.9° | 179.7° |
| N04 | C07 | C08 | N09 | 65.8° | 0.0° |
| C07 | N04 | C05 | H2 | 167.5° | 30.0° |
| C07 | N04 | C05 | H3 | 47.1° | 150.0° |
| CL1 | C14 | C08 | C07 | 0.2° | 0.0° |
| CL1 | C14 | C08 | C12 | 179.6° | 179.8° |
| CL1 | C14 | C08 | N09 | 179.6° | 179.8° |
| CL1 | C14 | C12 | C13 | 0.1° | 0.1° |
| CL1 | C14 | C12 | N10 | 179.9° | 179.8° |
| N16 | C07 | C08 | C14 | 66.3° | 0.2° |
| N16 | C07 | C08 | N09 | 113.0° | 180.0° |
| C07 | C08 | C14 | N09 | 179.4° | 179.8° |
| C07 | C08 | C14 | C12 | 179.9° | 179.8° |
| C07 | C08 | N09 | N10 | 179.9° | 180.0° |
| C08 | C14 | C12 | C13 | 179.7° | 179.9° |
| C08 | C14 | C12 | N10 | 0.5° | 0.4° |
| C14 | C08 | N09 | N10 | 0.8° | 0.2° |
| C12 | C14 | C08 | N09 | 0.8° | 0.4° |
| C14 | C12 | C13 | N10 | 179.8° | 179.6° |
| C14 | C12 | N10 | N09 | 0.0° | 0.3° |
| C14 | C12 | N10 | C11 | 179.9° | 179.7° |
| C14 | C12 | C13 | H10 | 89.9° | 89.6° |
| C14 | C12 | C13 | H11 | 150.1° | 30.4° |
| C14 | C12 | C13 | H12 | 30.1° | 150.4° |
| C08 | N09 | N10 | C12 | 0.5° | 0.0° |
| C08 | N09 | N10 | C11 | 179.6° | 180.0° |
| C13 | C12 | N10 | N09 | 179.8° | 179.9° |
| C13 | C12 | N10 | C11 | 0.1° | 0.1° |
| C12 | C13 | H10 | H11 | 120.0° | 120.1° |
| C12 | C13 | H10 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C12 | N10 | N09 | C11 | 179.9° | 180.0° |
| C12 | N10 | C11 | H7 | 179.9° | 90.0° |
| C12 | N10 | C11 | H8 | 60.1° | 30.0° |
| C12 | N10 | C11 | H9 | 59.9° | 150.0° |
| N10 | C12 | C13 | H10 | 89.9° | 89.9° |
| N10 | C12 | C13 | H11 | 30.1° | 150.0° |
| N10 | C12 | C13 | H12 | 150.1° | 30.0° |
| N09 | N10 | C11 | H7 | 0.0° | 90.0° |
| N09 | N10 | C11 | H8 | 120.0° | 150.0° |
| N09 | N10 | C11 | H9 | 120.0° | 30.0° |
| N10 | C11 | H7 | H8 | 120.0° | 120.0° |
| N10 | C11 | H7 | H9 | 120.0° | 120.0° |
| N10 | C11 | H8 | H9 | 120.0° | 120.1° |
| H2 | C05 | C06 | H4 | 60.2° | 180.0° |
| H2 | C05 | C06 | H5 | 59.8° | 60.0° |
| H2 | C05 | C06 | H6 | 179.8° | 60.0° |
| H3 | C05 | C06 | H4 | 60.2° | 60.0° |
| H3 | C05 | C06 | H5 | 179.8° | NaN° |
| H3 | C05 | C06 | H6 | 59.8° | 60.0° |
| H4 | C06 | H5 | H6 | 120.0° | 120.0° |
| H7 | C11 | H8 | H9 | 120.0° | 119.9° |
| H10 | C13 | H11 | H12 | 120.0° | 119.9° |
