FZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C07 | sing | 1.54Å | 1.41Å | |
| C09 | C08 | sing | 1.55Å | 1.42Å | |
| C07 | N03 | sing | 1.47Å | 1.36Å | |
| C08 | C04 | sing | 1.52Å | 1.44Å | |
| N03 | C04 | sing | 1.35Å | 1.31Å | Aromatic |
| N03 | C05 | sing | 1.37Å | 1.39Å | Aromatic |
| C04 | N01 | doub | 1.31Å | 1.37Å | Aromatic |
| C05 | C02 | doub | 1.36Å | 1.40Å | Aromatic |
| N01 | C02 | sing | 1.35Å | 1.35Å | Aromatic |
| C02 | C06 | sing | 1.48Å | 1.51Å | |
| C10 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C09 | C08 | 106.0° | 101.8° |
| C09 | C07 | N03 | 108.7° | 105.6° |
| C09 | C07 | H8 | 109.7° | 110.2° |
| C07 | C09 | H10 | 110.3° | 111.0° |
| C09 | C07 | H6 | 109.7° | 110.4° |
| C07 | C09 | H12 | 110.3° | 110.9° |
| C09 | C08 | C04 | 105.5° | 104.3° |
| C09 | C08 | H9 | 110.5° | 110.4° |
| C08 | C09 | H10 | 110.3° | 111.0° |
| C09 | C08 | H11 | 110.4° | 110.5° |
| C08 | C09 | H12 | 110.3° | 110.9° |
| C07 | N03 | C04 | 110.7° | 111.1° |
| C07 | N03 | C05 | 140.7° | 141.5° |
| N03 | C07 | H8 | 109.6° | 110.2° |
| N03 | C07 | H6 | 109.6° | 110.2° |
| C08 | C04 | N03 | 109.1° | 109.9° |
| C08 | C04 | N01 | 141.7° | 141.2° |
| C04 | C08 | H9 | 110.4° | 110.5° |
| C04 | C08 | H11 | 110.5° | 110.5° |
| C04 | N03 | C05 | 108.6° | 107.4° |
| N03 | C04 | N01 | 109.2° | 108.9° |
| N03 | C05 | C02 | 106.7° | 106.7° |
| N03 | C05 | H7 | 126.7° | 126.6° |
| C04 | N01 | C02 | 109.3° | 109.3° |
| C05 | C02 | N01 | 106.2° | 107.7° |
| C05 | C02 | C06 | 127.3° | 126.1° |
| C02 | C05 | H7 | 126.7° | 126.7° |
| N01 | C02 | C06 | 126.4° | 126.2° |
| C02 | C06 | C10 | 120.6° | 120.1° |
| C02 | C06 | C11 | 119.5° | 120.2° |
| C06 | C10 | C13 | 119.5° | 119.9° |
| C10 | C06 | C11 | 119.9° | 119.7° |
| C06 | C10 | H5 | 120.2° | 120.1° |
| C10 | C13 | C14 | 120.3° | 120.1° |
| C10 | C13 | H2 | 119.9° | 119.9° |
| C13 | C10 | H5 | 120.3° | 120.0° |
| C06 | C11 | C12 | 120.6° | 119.9° |
| C06 | C11 | H4 | 119.7° | 120.0° |
| C13 | C14 | C12 | 120.3° | 120.2° |
| C14 | C13 | H2 | 119.8° | 119.9° |
| C13 | C14 | H3 | 119.9° | 119.9° |
| C11 | C12 | C14 | 119.4° | 120.1° |
| C11 | C12 | H1 | 120.3° | 120.0° |
| C12 | C11 | H4 | 119.7° | 120.0° |
| C14 | C12 | H1 | 120.3° | 119.9° |
| C12 | C14 | H3 | 119.9° | 119.9° |
| H8 | C07 | H6 | 109.5° | 110.2° |
| H9 | C08 | H11 | 109.5° | 110.4° |
| H10 | C09 | H12 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C09 | C08 | H10 | 119.4° | 118.1° |
| C07 | C09 | C08 | H12 | 119.4° | 118.1° |
| C09 | C07 | N03 | H8 | 119.9° | 119.0° |
| C09 | C07 | N03 | H6 | 119.9° | 119.2° |
| C07 | C09 | C08 | C04 | 0.0° | 25.2° |
| C09 | C07 | N03 | C04 | 0.1° | 17.2° |
| C09 | C07 | N03 | C05 | 179.7° | 163.0° |
| C09 | C07 | H8 | H6 | 120.4° | 122.1° |
| C07 | C09 | C08 | H9 | 119.4° | 143.9° |
| C07 | C09 | H10 | H12 | 121.6° | 123.8° |
| C07 | C09 | C08 | H11 | 119.4° | 93.6° |
| C08 | C09 | C07 | N03 | 0.0° | 25.8° |
| C09 | C08 | C04 | H9 | 119.4° | 118.7° |
| C09 | C08 | C04 | H11 | 119.4° | 118.8° |
| C09 | C08 | C04 | N03 | 0.1° | 16.5° |
| C09 | C08 | C04 | N01 | 180.0° | 163.3° |
| C08 | C09 | C07 | H8 | 119.9° | 93.2° |
| C09 | C08 | H9 | H11 | 121.8° | 122.6° |
| C08 | C09 | H10 | H12 | 121.6° | 123.8° |
| C08 | C09 | C07 | H6 | 119.8° | 144.8° |
| C07 | N03 | C04 | C08 | 0.1° | 0.3° |
| C07 | N03 | C04 | C05 | 179.9° | 179.9° |
| C07 | N03 | C04 | N01 | 180.0° | 179.8° |
| C07 | N03 | C05 | C02 | 179.3° | 179.7° |
| C07 | N03 | C05 | H7 | 0.6° | 0.2° |
| N03 | C07 | H8 | H6 | 120.3° | 121.8° |
| N03 | C07 | C09 | H10 | 119.5° | 143.9° |
| N03 | C07 | C09 | H12 | 119.4° | 92.3° |
| C08 | C04 | N03 | N01 | 180.0° | 179.9° |
| C08 | C04 | N03 | C05 | 179.8° | 179.8° |
| C08 | C04 | N01 | C02 | 179.1° | 179.7° |
| C04 | C08 | H9 | H11 | 121.8° | 122.6° |
| C04 | C08 | C09 | H10 | 119.4° | 143.3° |
| C04 | C08 | C09 | H12 | 119.4° | 92.9° |
| C04 | N03 | C05 | C02 | 0.5° | 0.1° |
| N03 | C04 | N01 | C02 | 0.8° | 0.1° |
| C04 | N03 | C05 | H7 | 179.5° | 179.9° |
| C04 | N03 | C07 | H8 | 119.9° | 101.8° |
| N03 | C04 | C08 | H9 | 119.4° | 135.2° |
| C04 | N03 | C07 | H6 | 119.8° | 136.3° |
| N03 | C04 | C08 | H11 | 119.3° | 102.3° |
| C05 | N03 | C04 | N01 | 0.2° | 0.2° |
| N03 | C05 | C02 | H7 | 180.0° | 179.9° |
| N03 | C05 | C02 | N01 | 0.9° | 0.1° |
| N03 | C05 | C02 | C06 | 178.0° | 179.9° |
| C05 | N03 | C07 | H8 | 59.9° | 78.0° |
| C05 | N03 | C07 | H6 | 60.4° | 43.8° |
| C04 | N01 | C02 | C05 | 1.1° | 0.0° |
| C04 | N01 | C02 | C06 | 178.2° | 180.0° |
| N01 | C04 | C08 | H9 | 60.6° | 44.7° |
| N01 | C04 | C08 | H11 | 60.6° | 77.9° |
| C05 | C02 | N01 | C06 | 177.1° | 180.0° |
| C05 | C02 | C06 | C10 | 16.7° | 180.0° |
| C05 | C02 | C06 | C11 | 161.1° | 0.2° |
| N01 | C02 | C06 | C10 | 166.8° | 0.0° |
| N01 | C02 | C06 | C11 | 15.4° | 179.8° |
| N01 | C02 | C05 | H7 | 179.1° | 180.0° |
| C02 | C06 | C10 | C11 | 177.8° | 179.7° |
| C02 | C06 | C10 | C13 | 179.0° | 180.0° |
| C02 | C06 | C11 | C12 | 178.8° | 179.7° |
| C02 | C06 | C11 | H4 | 1.2° | 0.2° |
| C02 | C06 | C10 | H5 | 1.0° | 0.0° |
| C06 | C02 | C05 | H7 | 2.0° | 0.0° |
| C06 | C10 | C13 | H5 | 180.0° | 179.9° |
| C06 | C10 | C13 | C14 | 0.9° | 0.2° |
| C10 | C06 | C11 | C12 | 1.0° | 0.0° |
| C06 | C10 | C13 | H2 | 179.1° | 179.7° |
| C10 | C06 | C11 | H4 | 179.0° | 180.0° |
| C13 | C10 | C06 | C11 | 1.2° | 0.2° |
| C10 | C13 | C14 | H2 | 180.0° | 179.9° |
| C10 | C13 | C14 | C12 | 0.2° | 0.1° |
| C10 | C13 | C14 | H3 | 179.7° | 180.0° |
| C06 | C11 | C12 | H4 | 180.0° | 180.0° |
| C06 | C11 | C12 | C14 | 0.3° | 0.3° |
| C06 | C11 | C12 | H1 | 179.7° | 180.0° |
| C11 | C06 | C10 | H5 | 178.8° | 179.7° |
| C13 | C14 | C12 | C11 | 0.0° | 0.3° |
| C13 | C14 | C12 | H3 | 180.0° | 180.0° |
| C13 | C14 | C12 | H1 | 179.9° | 180.0° |
| C14 | C13 | C10 | H5 | 179.1° | 179.7° |
| C11 | C12 | C14 | H1 | 180.0° | 179.7° |
| C11 | C12 | C14 | H3 | 180.0° | 179.7° |
| C12 | C14 | C13 | H2 | 179.8° | 180.0° |
| C14 | C12 | C11 | H4 | 179.7° | 179.7° |
| H1 | C12 | C14 | H3 | 0.0° | 0.0° |
| H1 | C12 | C11 | H4 | 0.3° | 0.0° |
| H2 | C13 | C14 | H3 | 0.3° | 0.0° |
| H2 | C13 | C10 | H5 | 0.9° | 0.4° |
| H8 | C07 | C09 | H10 | 120.7° | 24.9° |
| H8 | C07 | C09 | H12 | 0.4° | 148.7° |
| H9 | C08 | C09 | H10 | 0.1° | 98.0° |
| H9 | C08 | C09 | H12 | 121.2° | 25.8° |
| H10 | C09 | C07 | H6 | 0.4° | 97.0° |
| H10 | C09 | C08 | H11 | 121.2° | 24.5° |
| H6 | C07 | C09 | H12 | 120.7° | 26.8° |
| H11 | C08 | C09 | H12 | 0.1° | 148.3° |
