EZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | doub | 1.21Å | 1.22Å | |
| C09 | N08 | sing | 1.35Å | 1.37Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.35Å | Aromatic |
| C07 | N08 | sing | 1.47Å | 1.46Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N08 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | N14 | sing | 1.36Å | 1.39Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N14 | doub | 1.30Å | 1.30Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C02 | C03 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | F17 | sing | 1.35Å | 1.35Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | C10 | 120.0° | 120.0° |
| O13 | C11 | C12 | 123.0° | 120.0° |
| N08 | C09 | C10 | 106.9° | 106.7° |
| C09 | N08 | C07 | 126.0° | 126.1° |
| C09 | N08 | C15 | 106.8° | 107.9° |
| N08 | C09 | H13 | 126.5° | 126.7° |
| C09 | C10 | C11 | 125.5° | 126.4° |
| C09 | C10 | N14 | 109.0° | 107.2° |
| C10 | C09 | H13 | 126.5° | 126.6° |
| N08 | C07 | C06 | 116.5° | 109.5° |
| C07 | N08 | C15 | 127.2° | 126.0° |
| N08 | C07 | H11 | 107.7° | 109.5° |
| N08 | C07 | H12 | 107.7° | 109.5° |
| C07 | C06 | C01 | 117.7° | 120.0° |
| C07 | C06 | C05 | 122.3° | 120.0° |
| C06 | C07 | H11 | 107.7° | 109.5° |
| C06 | C07 | H12 | 107.7° | 109.4° |
| C10 | C11 | C12 | 116.9° | 120.0° |
| C11 | C10 | N14 | 125.5° | 126.4° |
| C11 | C12 | H1 | 109.5° | 109.4° |
| C11 | C12 | H2 | 109.5° | 109.5° |
| C11 | C12 | H3 | 109.5° | 109.5° |
| N08 | C15 | N14 | 110.4° | 109.3° |
| N08 | C15 | C16 | 122.9° | 125.4° |
| C10 | N14 | C15 | 106.9° | 108.9° |
| C06 | C01 | C02 | 120.5° | 120.0° |
| C01 | C06 | C05 | 120.0° | 120.0° |
| C06 | C01 | H7 | 119.8° | 120.0° |
| C01 | C02 | C03 | 118.4° | 120.0° |
| C02 | C01 | H7 | 119.7° | 120.0° |
| C01 | C02 | H8 | 120.8° | 120.0° |
| C06 | C05 | C04 | 119.6° | 120.1° |
| C06 | C05 | H10 | 120.2° | 119.9° |
| N14 | C15 | C16 | 126.8° | 125.3° |
| C15 | C16 | H4 | 109.5° | 109.5° |
| C15 | C16 | H5 | 109.4° | 109.5° |
| C15 | C16 | H6 | 109.4° | 109.5° |
| C02 | C03 | C04 | 122.4° | 119.9° |
| C02 | C03 | F17 | 118.2° | 120.0° |
| C03 | C02 | H8 | 120.8° | 120.0° |
| C05 | C04 | C03 | 119.1° | 120.0° |
| C05 | C04 | H9 | 120.4° | 120.0° |
| C04 | C05 | H10 | 120.2° | 120.0° |
| C04 | C03 | F17 | 119.4° | 120.1° |
| C03 | C04 | H9 | 120.5° | 120.0° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H1 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.4° |
| H4 | C16 | H6 | 109.4° | 109.4° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | C10 | C09 | 4.8° | 0.2° |
| O13 | C11 | C10 | C12 | 179.0° | 179.7° |
| O13 | C11 | C10 | N14 | 175.2° | 179.2° |
| O13 | C11 | C12 | H1 | 0.0° | 179.7° |
| O13 | C11 | C12 | H2 | 120.0° | 60.3° |
| O13 | C11 | C12 | H3 | 120.0° | 59.7° |
| N08 | C09 | C10 | H13 | 180.0° | 179.7° |
| C09 | N08 | C07 | C15 | 179.5° | 179.9° |
| C09 | N08 | C07 | C06 | 105.8° | 94.9° |
| N08 | C09 | C10 | C11 | 179.6° | 180.0° |
| N08 | C09 | C10 | N14 | 0.4° | 0.5° |
| C09 | N08 | C15 | N14 | 0.1° | 0.0° |
| C09 | N08 | C15 | C16 | 179.7° | 179.7° |
| C09 | N08 | C07 | H11 | 15.2° | 145.0° |
| C09 | N08 | C07 | H12 | 133.1° | 25.1° |
| C10 | C09 | N08 | C07 | 179.2° | 179.8° |
| C09 | C10 | C11 | N14 | 179.9° | 179.4° |
| C09 | C10 | C11 | C12 | 174.2° | 180.0° |
| C10 | C09 | N08 | C15 | 0.3° | 0.3° |
| C09 | C10 | N14 | C15 | 0.4° | 0.4° |
| N08 | C07 | C06 | H11 | 121.0° | 120.1° |
| N08 | C07 | C06 | H12 | 121.0° | 120.0° |
| N08 | C07 | C06 | C01 | 169.6° | 89.9° |
| N08 | C07 | C06 | C05 | 10.4° | 90.0° |
| C07 | N08 | C15 | N14 | 179.5° | 180.0° |
| C07 | N08 | C15 | C16 | 0.8° | 0.2° |
| N08 | C07 | H11 | H12 | 116.8° | 120.0° |
| C07 | N08 | C09 | H13 | 0.8° | 0.1° |
| C06 | C07 | N08 | C15 | 74.7° | 85.0° |
| C07 | C06 | C01 | C05 | 180.0° | 179.9° |
| C07 | C06 | C01 | C02 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C01 | H7 | 0.1° | 0.3° |
| C07 | C06 | C05 | H10 | 0.1° | 0.0° |
| C06 | C07 | H11 | H12 | 116.8° | 120.0° |
| C11 | C10 | N14 | C15 | 179.7° | 180.0° |
| C10 | C11 | C12 | H1 | 179.0° | 0.0° |
| C10 | C11 | C12 | H2 | 61.0° | 120.0° |
| C10 | C11 | C12 | H3 | 59.0° | 120.0° |
| C11 | C10 | C09 | H13 | 0.4° | 0.3° |
| C12 | C11 | C10 | N14 | 5.8° | 0.5° |
| C11 | C12 | H1 | H2 | 120.0° | 120.0° |
| C11 | C12 | H1 | H3 | 120.0° | 120.0° |
| C11 | C12 | H2 | H3 | 120.0° | 120.0° |
| N08 | C15 | N14 | C10 | 0.2° | 0.3° |
| N08 | C15 | N14 | C16 | 179.8° | 179.7° |
| N08 | C15 | C16 | H4 | 179.8° | 89.7° |
| N08 | C15 | C16 | H5 | 59.7° | 30.3° |
| N08 | C15 | C16 | H6 | 60.3° | 150.3° |
| C15 | N08 | C07 | H11 | 164.2° | 35.1° |
| C15 | N08 | C07 | H12 | 46.3° | 155.0° |
| C15 | N08 | C09 | H13 | 179.7° | 180.0° |
| C10 | N14 | C15 | C16 | 179.9° | 180.0° |
| N14 | C10 | C09 | H13 | 179.6° | 179.9° |
| C06 | C01 | C02 | H7 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C06 | C05 | C04 | 0.1° | 0.1° |
| C06 | C01 | C02 | H8 | 180.0° | 180.0° |
| C01 | C06 | C05 | H10 | 179.9° | 180.0° |
| C01 | C06 | C07 | H11 | 69.3° | 150.0° |
| C01 | C06 | C07 | H12 | 48.6° | 30.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | H8 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | F17 | 179.8° | 180.0° |
| C06 | C05 | C04 | H10 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C05 | C06 | C01 | H7 | 179.9° | 179.8° |
| C06 | C05 | C04 | H9 | 179.9° | 180.0° |
| C05 | C06 | C07 | H11 | 110.6° | 30.1° |
| C05 | C06 | C07 | H12 | 131.4° | 150.0° |
| N14 | C15 | C16 | H4 | 0.0° | 90.0° |
| N14 | C15 | C16 | H5 | 120.0° | 150.0° |
| N14 | C15 | C16 | H6 | 120.0° | 30.0° |
| C15 | C16 | H4 | H5 | 120.0° | 120.1° |
| C15 | C16 | H4 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | F17 | 179.9° | 180.0° |
| C03 | C02 | C01 | H7 | 180.0° | 179.7° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C05 | C04 | C03 | H9 | 180.0° | 179.9° |
| C05 | C04 | C03 | F17 | 179.8° | 180.0° |
| C04 | C03 | C02 | H8 | 179.9° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| F17 | C03 | C02 | H8 | 0.2° | 0.0° |
| F17 | C03 | C04 | H9 | 0.2° | 0.0° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H4 | C16 | H5 | H6 | 120.0° | 119.9° |
| H7 | C01 | C02 | H8 | 0.0° | 0.3° |
| H9 | C04 | C05 | H10 | 0.0° | 0.0° |
