ZD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.43Å | 1.42Å | |
| F18 | C15 | sing | 1.40Å | 1.34Å | |
| C | CA | sing | 1.53Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CB | N10 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | N6 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C13 | doub | 1.42Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| N6 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| C13 | C9 | sing | 1.42Å | 1.39Å | Aromatic |
| N | C12 | sing | 1.47Å | 1.46Å | |
| C7 | C15 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.39Å | 1.43Å | |
| C15 | F17 | sing | 1.40Å | 1.38Å | |
| C15 | F16 | sing | 1.40Å | 1.38Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 1.01Å | 1.00Å | |
| O | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 110.3° | 109.5° |
| O | C | H15 | 109.3° | 109.5° |
| O | C | H16 | 109.2° | 109.5° |
| C | O | H19 | 109.5° | 114.0° |
| F18 | C15 | C7 | 106.3° | 109.5° |
| F18 | C15 | F17 | 106.2° | 109.4° |
| F18 | C15 | F16 | 105.2° | 109.4° |
| C | CA | CB | 107.2° | 109.5° |
| C | CA | N | 110.9° | 109.5° |
| C | CA | H14 | 107.1° | 109.5° |
| CA | C | H15 | 109.2° | 109.4° |
| CA | C | H16 | 109.3° | 109.4° |
| CB | CA | N | 116.3° | 109.4° |
| CA | CB | N10 | 116.9° | 109.4° |
| CA | CB | H12 | 107.6° | 109.5° |
| CA | CB | H13 | 107.6° | 109.4° |
| CB | CA | H14 | 107.2° | 109.5° |
| CA | N | C12 | 116.5° | 110.9° |
| N | CA | H14 | 107.8° | 109.4° |
| CA | N | H17 | 107.7° | 111.0° |
| CB | N10 | C9 | 120.1° | 111.0° |
| CB | N10 | C11 | 114.4° | 110.9° |
| N10 | CB | H12 | 107.6° | 109.6° |
| N10 | CB | H13 | 107.6° | 109.5° |
| C4 | C3 | C2 | 121.0° | 121.0° |
| C3 | C4 | C5 | 121.6° | 119.8° |
| C3 | C4 | H7 | 119.2° | 120.1° |
| C4 | C3 | H8 | 119.5° | 119.5° |
| C3 | C2 | C1 | 121.2° | 119.6° |
| C3 | C2 | C14 | 118.2° | 120.8° |
| C2 | C3 | H8 | 119.5° | 119.5° |
| C1 | C2 | C14 | 120.6° | 119.6° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C4 | C5 | N6 | 118.7° | 121.0° |
| C4 | C5 | C13 | 117.4° | 119.1° |
| C5 | C4 | H7 | 119.2° | 120.2° |
| C2 | C14 | C13 | 121.4° | 119.6° |
| C2 | C14 | H3 | 119.3° | 120.2° |
| N6 | C5 | C13 | 124.0° | 119.9° |
| C5 | N6 | C7 | 117.8° | 121.7° |
| C5 | C13 | C14 | 120.5° | 119.7° |
| C5 | C13 | C9 | 117.3° | 118.9° |
| C14 | C13 | C9 | 122.3° | 121.4° |
| C13 | C14 | H3 | 119.3° | 120.2° |
| N6 | C7 | C15 | 120.2° | 119.0° |
| N6 | C7 | C8 | 121.5° | 121.8° |
| C13 | C9 | C8 | 118.5° | 117.9° |
| C13 | C9 | N10 | 126.7° | 121.1° |
| N | C12 | C11 | 110.2° | 109.3° |
| N | C12 | H1 | 109.3° | 109.5° |
| N | C12 | H2 | 109.3° | 109.5° |
| C12 | N | H17 | 107.7° | 111.0° |
| C15 | C7 | C8 | 118.2° | 119.1° |
| C7 | C15 | F17 | 118.8° | 109.5° |
| C7 | C15 | F16 | 115.1° | 109.5° |
| C7 | C8 | C9 | 120.9° | 119.8° |
| C7 | C8 | H6 | 119.5° | 120.1° |
| C8 | C9 | N10 | 114.8° | 121.1° |
| C9 | C8 | H6 | 119.6° | 120.1° |
| C9 | N10 | C11 | 124.7° | 111.0° |
| F17 | C15 | F16 | 104.1° | 109.5° |
| N10 | C11 | C12 | 110.6° | 109.4° |
| N10 | C11 | H4 | 109.2° | 109.4° |
| N10 | C11 | H5 | 109.2° | 109.5° |
| C11 | C12 | H1 | 109.3° | 109.5° |
| C11 | C12 | H2 | 109.3° | 109.4° |
| C12 | C11 | H4 | 109.2° | 109.5° |
| C12 | C11 | H5 | 109.2° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.4° |
| H9 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H12 | CB | H13 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | H15 | 120.1° | 120.0° |
| O | C | CA | H16 | 120.1° | 120.0° |
| O | C | CA | CB | 147.8° | 175.0° |
| O | C | CA | N | 84.3° | 65.1° |
| O | C | CA | H14 | 33.0° | 54.9° |
| O | C | H15 | H16 | 119.6° | 120.1° |
| F18 | C15 | C7 | N6 | 86.6° | 30.0° |
| F18 | C15 | C7 | F17 | 119.6° | 120.0° |
| F18 | C15 | C7 | F16 | 116.0° | 120.0° |
| F18 | C15 | C7 | C8 | 92.6° | 150.0° |
| F18 | C15 | F17 | F16 | 110.8° | 119.9° |
| C | CA | CB | N | 124.7° | 120.0° |
| C | CA | CB | H14 | 114.7° | 120.1° |
| C | CA | N | H14 | 116.9° | 120.0° |
| C | CA | CB | N10 | 148.5° | 178.4° |
| C | CA | N | C12 | 154.2° | 179.3° |
| C | CA | CB | H12 | 90.4° | 61.6° |
| C | CA | CB | H13 | 27.5° | 58.4° |
| CA | C | H15 | H16 | 119.6° | 120.0° |
| C | CA | N | H17 | 33.2° | 55.4° |
| CA | C | O | H19 | 180.0° | 179.9° |
| CB | CA | N | H14 | 120.3° | 119.9° |
| CA | CB | N10 | H12 | 121.1° | 120.0° |
| CA | CB | N10 | H13 | 121.1° | 119.9° |
| CB | CA | N | C12 | 31.5° | 59.3° |
| CA | CB | N10 | C9 | 152.9° | 176.8° |
| CA | CB | N10 | C11 | 36.4° | 59.3° |
| CA | CB | H12 | H13 | 116.6° | 120.0° |
| CB | CA | C | H15 | 27.6° | 65.0° |
| CB | CA | C | H16 | 92.1° | 55.0° |
| CB | CA | N | H17 | 89.5° | 64.6° |
| N | CA | CB | N10 | 23.9° | 58.3° |
| CA | N | C12 | H17 | 121.0° | 123.9° |
| CA | N | C12 | C11 | 49.5° | 59.3° |
| CA | N | C12 | H1 | 169.6° | 60.6° |
| CA | N | C12 | H2 | 70.7° | 179.3° |
| N | CA | CB | H12 | 145.0° | 178.4° |
| N | CA | CB | H13 | 97.2° | 61.6° |
| N | CA | C | H15 | 155.5° | 54.9° |
| N | CA | C | H16 | 35.8° | 174.9° |
| CB | N10 | C9 | C13 | 133.3° | 119.9° |
| CB | N10 | C9 | C8 | 46.2° | 60.0° |
| CB | N10 | C9 | C11 | 169.7° | 123.8° |
| CB | N10 | C11 | C12 | 54.6° | 59.3° |
| CB | N10 | C11 | H4 | 174.8° | 60.7° |
| CB | N10 | C11 | H5 | 65.6° | 179.3° |
| N10 | CB | H12 | H13 | 116.7° | 120.1° |
| N10 | CB | CA | H14 | 96.8° | 61.5° |
| C4 | C3 | C2 | H8 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H7 | 180.0° | 179.6° |
| C4 | C3 | C2 | C14 | 0.4° | 0.2° |
| C3 | C4 | C5 | N6 | 179.7° | 179.5° |
| C3 | C4 | C5 | C13 | 0.0° | 0.0° |
| C3 | C2 | C1 | C14 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C3 | C2 | C14 | C13 | 0.3° | 0.0° |
| C3 | C2 | C14 | H3 | 179.8° | 180.0° |
| C2 | C3 | C4 | H7 | 179.8° | 179.8° |
| C3 | C2 | C1 | H9 | 90.0° | 90.0° |
| C3 | C2 | C1 | H10 | 150.0° | 150.0° |
| C3 | C2 | C1 | H11 | 30.0° | 30.0° |
| C1 | C2 | C14 | C13 | 179.8° | 179.8° |
| C1 | C2 | C14 | H3 | 0.2° | 0.2° |
| C1 | C2 | C3 | H8 | 0.4° | 0.3° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.1° |
| C2 | C1 | H10 | H11 | 120.0° | 120.1° |
| C4 | C5 | N6 | C13 | 179.7° | 179.5° |
| C4 | C5 | C13 | C14 | 0.1° | 0.2° |
| C4 | C5 | N6 | C7 | 179.5° | 180.0° |
| C4 | C5 | C13 | C9 | 179.7° | 180.0° |
| C5 | C4 | C3 | H8 | 179.7° | 179.9° |
| C2 | C14 | C13 | C5 | 0.0° | 0.2° |
| C2 | C14 | C13 | H3 | 180.0° | 180.0° |
| C2 | C14 | C13 | C9 | 179.8° | 180.0° |
| C14 | C2 | C3 | H8 | 179.6° | 180.0° |
| C14 | C2 | C1 | H9 | 90.0° | 89.7° |
| C14 | C2 | C1 | H10 | 30.0° | 30.3° |
| C14 | C2 | C1 | H11 | 150.0° | 150.3° |
| N6 | C5 | C13 | C14 | 179.8° | 179.7° |
| N6 | C5 | C13 | C9 | 0.0° | 0.5° |
| C5 | N6 | C7 | C15 | 179.6° | 179.7° |
| C5 | N6 | C7 | C8 | 0.5° | 0.3° |
| N6 | C5 | C4 | H7 | 0.3° | 0.1° |
| C5 | C13 | C14 | C9 | 179.8° | 179.8° |
| C13 | C5 | N6 | C7 | 0.2° | 0.5° |
| C5 | C13 | C9 | C8 | 0.1° | 0.2° |
| C5 | C13 | C9 | N10 | 179.6° | 179.7° |
| C5 | C13 | C14 | H3 | 180.0° | 179.8° |
| C13 | C5 | C4 | H7 | 180.0° | 179.6° |
| C14 | C13 | C9 | C8 | 179.9° | 180.0° |
| C14 | C13 | C9 | N10 | 0.7° | 0.1° |
| N6 | C7 | C15 | C8 | 179.1° | 180.0° |
| N6 | C7 | C8 | C9 | 0.7° | 0.0° |
| N6 | C7 | C15 | F17 | 33.0° | 90.0° |
| N6 | C7 | C15 | F16 | 157.4° | 150.0° |
| N6 | C7 | C8 | H6 | 179.3° | 180.0° |
| C13 | C9 | C8 | C7 | 0.5° | 0.1° |
| C13 | C9 | C8 | N10 | 179.5° | 179.9° |
| C13 | C9 | N10 | C11 | 57.0° | 116.2° |
| C9 | C13 | C14 | H3 | 0.2° | 0.0° |
| C13 | C9 | C8 | H6 | 179.5° | 180.0° |
| N | C12 | C11 | N10 | 60.7° | 58.4° |
| N | C12 | C11 | H1 | 120.1° | 120.0° |
| N | C12 | C11 | H2 | 120.1° | 120.0° |
| N | C12 | H1 | H2 | 119.7° | 120.1° |
| N | C12 | C11 | H4 | 179.1° | 61.5° |
| N | C12 | C11 | H5 | 59.5° | 178.4° |
| C12 | N | CA | H14 | 88.9° | 60.6° |
| C15 | C7 | C8 | C9 | 179.8° | 180.0° |
| C7 | C15 | F17 | F16 | 129.6° | 120.0° |
| C15 | C7 | C8 | H6 | 0.2° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | N10 | 180.0° | 180.0° |
| C8 | C7 | C15 | F17 | 147.8° | 90.0° |
| C8 | C7 | C15 | F16 | 23.5° | 30.0° |
| C8 | C9 | N10 | C11 | 123.5° | 63.9° |
| C9 | N10 | C11 | C12 | 135.2° | 176.8° |
| C9 | N10 | C11 | H4 | 15.0° | 63.3° |
| C9 | N10 | C11 | H5 | 104.6° | 56.8° |
| N10 | C9 | C8 | H6 | 0.0° | 0.1° |
| C9 | N10 | CB | H12 | 31.9° | 56.9° |
| C9 | N10 | CB | H13 | 86.0° | 63.2° |
| N10 | C11 | C12 | H4 | 120.2° | 119.9° |
| N10 | C11 | C12 | H5 | 120.2° | 120.0° |
| N10 | C11 | C12 | H1 | 179.2° | 61.6° |
| N10 | C11 | C12 | H2 | 59.4° | 178.4° |
| N10 | C11 | H4 | H5 | 119.5° | 120.0° |
| C11 | N10 | CB | H12 | 157.5° | 179.3° |
| C11 | N10 | CB | H13 | 84.7° | 60.6° |
| C11 | C12 | H1 | H2 | 119.7° | 120.0° |
| C12 | C11 | H4 | H5 | 119.5° | 120.1° |
| C11 | C12 | N | H17 | 71.5° | 64.5° |
| H1 | C12 | C11 | H4 | 59.0° | 178.5° |
| H1 | C12 | C11 | H5 | 60.6° | 58.4° |
| H1 | C12 | N | H17 | 48.6° | 175.5° |
| H2 | C12 | C11 | H4 | 60.7° | 58.5° |
| H2 | C12 | C11 | H5 | 179.6° | 61.6° |
| H2 | C12 | N | H17 | 168.3° | 55.4° |
| H7 | C4 | C3 | H8 | 0.3° | 0.5° |
| H9 | C1 | H10 | H11 | 120.0° | 119.9° |
| H12 | CB | CA | H14 | 24.3° | 58.5° |
| H13 | CB | CA | H14 | 142.2° | 178.5° |
| H14 | CA | C | H15 | 87.1° | 174.9° |
| H14 | CA | C | H16 | 153.1° | 65.1° |
| H14 | CA | N | H17 | 150.1° | 175.5° |
| H15 | C | O | H19 | 59.9° | 60.0° |
| H16 | C | O | H19 | 59.9° | 60.1° |
