ZR7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| F1 | C11 | sing | 1.35Å | 1.30Å | |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| O | C16 | doub | 1.22Å | 1.21Å | |
| C14 | N4 | sing | 1.40Å | 1.39Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N4 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | sing | 1.48Å | 1.46Å | |
| C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C2 | sing | 1.51Å | 1.54Å | |
| N3 | C9 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C6 | sing | 1.33Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C2 | sing | 1.56Å | 1.57Å | |
| C5 | N1 | sing | 1.48Å | 1.46Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N6 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C2 | N | sing | 1.44Å | 1.46Å | |
| C8 | F | sing | 1.35Å | 1.27Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.39Å | 1.38Å | |
| C6 | N2 | doub | 1.32Å | 1.41Å | Aromatic |
| N1 | C4 | sing | 1.49Å | 1.47Å | |
| N5 | C19 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | C | sing | 1.52Å | 1.53Å | |
| N6 | C20 | doub | 1.32Å | 1.31Å | Aromatic |
| C7 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N | C1 | doub | 1.28Å | 1.30Å | |
| C19 | C20 | sing | 1.40Å | 1.45Å | Aromatic |
| C19 | O1 | sing | 1.36Å | 1.34Å | |
| C | S | sing | 1.81Å | 1.81Å | |
| O1 | C21 | sing | 1.43Å | 1.43Å | |
| C1 | S | sing | 1.76Å | 1.81Å | |
| C1 | N7 | sing | 1.38Å | 1.38Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N7 | H16 | sing | 0.97Å | 1.00Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 118.6° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C13 | C12 | H14 | 120.7° | 120.0° |
| C12 | C11 | F1 | 116.0° | 120.0° |
| C12 | C11 | C10 | 123.1° | 120.1° |
| C11 | C12 | H14 | 120.7° | 120.0° |
| F1 | C11 | C10 | 120.9° | 119.9° |
| C13 | C14 | N4 | 125.9° | 120.0° |
| C13 | C14 | C15 | 121.0° | 119.9° |
| C14 | C13 | H13 | 120.2° | 120.1° |
| C11 | C10 | C15 | 116.6° | 120.1° |
| C11 | C10 | C2 | 121.7° | 120.0° |
| O | C16 | N4 | 124.5° | 120.0° |
| O | C16 | C17 | 119.5° | 120.0° |
| N4 | C14 | C15 | 112.6° | 120.0° |
| C14 | N4 | C16 | 127.8° | 120.0° |
| C14 | N4 | H12 | 116.1° | 120.0° |
| C14 | C15 | C10 | 121.0° | 119.9° |
| C14 | C15 | H15 | 119.5° | 120.0° |
| N4 | C16 | C17 | 115.9° | 120.0° |
| C16 | N4 | H12 | 116.1° | 120.0° |
| C16 | C17 | C18 | 118.3° | 120.0° |
| C16 | C17 | N6 | 118.9° | 120.0° |
| C15 | C10 | C2 | 121.5° | 119.9° |
| C10 | C15 | H15 | 119.5° | 120.1° |
| C10 | C2 | C5 | 115.6° | 111.0° |
| C10 | C2 | C3 | 111.2° | 110.8° |
| C10 | C2 | N | 107.7° | 111.6° |
| C9 | N3 | C6 | 115.3° | 120.8° |
| N3 | C9 | C8 | 121.2° | 119.1° |
| N3 | C9 | H20 | 119.4° | 120.4° |
| N3 | C6 | N1 | 118.0° | 119.2° |
| N3 | C6 | N2 | 125.2° | 121.6° |
| C9 | C8 | F | 121.3° | 120.7° |
| C9 | C8 | C7 | 120.5° | 118.5° |
| C8 | C9 | H20 | 119.4° | 120.4° |
| C2 | C5 | N1 | 103.0° | 104.7° |
| C5 | C2 | C3 | 101.0° | 101.2° |
| C5 | C2 | N | 105.1° | 107.6° |
| C2 | C5 | H2 | 111.0° | 110.4° |
| C2 | C5 | H3 | 111.1° | 110.4° |
| C5 | N1 | C6 | 123.5° | 111.0° |
| C5 | N1 | C4 | 112.5° | 108.6° |
| N1 | C5 | H2 | 111.1° | 110.4° |
| N1 | C5 | H3 | 111.0° | 110.4° |
| C17 | C18 | N5 | 119.8° | 120.0° |
| C18 | C17 | N6 | 122.7° | 120.0° |
| C17 | C18 | H11 | 120.1° | 120.0° |
| C18 | N5 | C19 | 117.6° | 120.0° |
| N5 | C18 | H11 | 120.1° | 120.0° |
| C17 | N6 | C20 | 118.5° | 119.9° |
| C3 | C2 | N | 116.2° | 114.2° |
| C2 | C3 | C4 | 103.5° | 104.4° |
| C2 | C3 | C | 113.3° | 112.2° |
| C2 | C3 | H6 | 108.0° | 109.2° |
| C2 | N | C1 | 123.9° | 130.5° |
| F | C8 | C7 | 118.1° | 120.7° |
| C8 | C7 | N2 | 120.4° | 119.1° |
| C8 | C7 | H1 | 119.8° | 120.4° |
| N1 | C6 | N2 | 116.8° | 119.2° |
| C6 | N1 | C4 | 123.9° | 111.0° |
| C6 | N2 | C7 | 117.3° | 120.8° |
| N1 | C4 | C3 | 103.7° | 106.2° |
| N1 | C4 | H4 | 110.9° | 110.0° |
| N1 | C4 | H5 | 110.9° | 110.0° |
| N5 | C19 | C20 | 122.6° | 120.0° |
| N5 | C19 | O1 | 118.1° | 120.0° |
| C4 | C3 | C | 115.1° | 111.6° |
| C3 | C4 | H4 | 110.9° | 110.5° |
| C3 | C4 | H5 | 110.9° | 110.1° |
| C4 | C3 | H6 | 108.3° | 109.6° |
| C3 | C | S | 113.8° | 109.3° |
| C | C3 | H6 | 108.2° | 109.7° |
| C3 | C | H18 | 108.4° | 109.5° |
| C3 | C | H19 | 108.4° | 109.5° |
| N6 | C20 | C19 | 118.8° | 120.1° |
| N6 | C20 | H7 | 120.6° | 119.9° |
| N2 | C7 | H1 | 119.8° | 120.4° |
| N | C1 | S | 127.5° | 122.9° |
| N | C1 | N7 | 119.4° | 118.5° |
| C20 | C19 | O1 | 119.3° | 120.0° |
| C19 | C20 | H7 | 120.6° | 120.0° |
| C19 | O1 | C21 | 119.3° | 117.0° |
| C | S | C1 | 101.3° | 99.0° |
| S | C | H18 | 108.4° | 109.7° |
| S | C | H19 | 108.4° | 109.2° |
| O1 | C21 | H8 | 109.5° | 109.5° |
| O1 | C21 | H9 | 109.5° | 109.4° |
| O1 | C21 | H10 | 109.5° | 109.4° |
| S | C1 | N7 | 113.1° | 118.6° |
| C1 | N7 | H16 | 120.0° | 120.0° |
| C1 | N7 | H17 | 120.0° | 120.0° |
| H2 | C5 | H3 | 109.5° | 110.4° |
| H4 | C4 | H5 | 109.5° | 110.0° |
| H8 | C21 | H9 | 109.4° | 109.5° |
| H8 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H16 | N7 | H17 | 120.0° | 120.0° |
| H18 | C | H19 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H14 | 180.0° | 179.9° |
| C13 | C12 | C11 | F1 | 179.6° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C14 | N4 | 171.1° | 180.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.3° |
| C12 | C11 | F1 | C10 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C10 | C15 | 0.3° | 0.3° |
| C12 | C11 | C10 | C2 | 175.6° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| F1 | C11 | C10 | C15 | 179.5° | 179.7° |
| F1 | C11 | C10 | C2 | 4.6° | 0.0° |
| F1 | C11 | C12 | H14 | 0.4° | 0.1° |
| C13 | C14 | N4 | C15 | 172.8° | 179.7° |
| C13 | C14 | N4 | C16 | 9.0° | 35.4° |
| C13 | C14 | C15 | C10 | 2.0° | 0.6° |
| C13 | C14 | N4 | H12 | 171.0° | 144.6° |
| C14 | C13 | C12 | H14 | 179.8° | 180.0° |
| C13 | C14 | C15 | H15 | 178.0° | 179.7° |
| C11 | C10 | C15 | C14 | 1.6° | 0.6° |
| C11 | C10 | C15 | C2 | 175.9° | 179.7° |
| C11 | C10 | C2 | C5 | 45.9° | 58.5° |
| C11 | C10 | C2 | C3 | 68.5° | 53.1° |
| C11 | C10 | C2 | N | 163.1° | 178.4° |
| C10 | C11 | C12 | H14 | 179.4° | 180.0° |
| C11 | C10 | C15 | H15 | 178.4° | 179.7° |
| O | C16 | N4 | C14 | 3.2° | 4.6° |
| O | C16 | N4 | C17 | 176.9° | 180.0° |
| O | C16 | C17 | C18 | 16.3° | 0.3° |
| O | C16 | C17 | N6 | 163.9° | 180.0° |
| O | C16 | N4 | H12 | 176.8° | 175.3° |
| C14 | N4 | C16 | H12 | 180.0° | 180.0° |
| C14 | N4 | C16 | C17 | 179.9° | 175.4° |
| N4 | C14 | C15 | C10 | 171.1° | 179.7° |
| N4 | C14 | C13 | H13 | 8.9° | 0.0° |
| N4 | C14 | C15 | H15 | 8.8° | 0.0° |
| C15 | C14 | N4 | C16 | 163.8° | 145.0° |
| C14 | C15 | C10 | H15 | 180.0° | 179.7° |
| C14 | C15 | C10 | C2 | 174.3° | 179.7° |
| C15 | C14 | N4 | H12 | 16.2° | 35.1° |
| C15 | C14 | C13 | H13 | 178.9° | 179.7° |
| N4 | C16 | C17 | C18 | 160.8° | 179.7° |
| N4 | C16 | C17 | N6 | 19.0° | 0.0° |
| C16 | C17 | C18 | N6 | 179.8° | 179.7° |
| C16 | C17 | C18 | N5 | 179.9° | 179.7° |
| C16 | C17 | N6 | C20 | 180.0° | 180.0° |
| C16 | C17 | C18 | H11 | 0.0° | 0.0° |
| C17 | C16 | N4 | H12 | 0.1° | 4.7° |
| C15 | C10 | C2 | C5 | 138.4° | 121.2° |
| C15 | C10 | C2 | C3 | 107.2° | 127.2° |
| C15 | C10 | C2 | N | 21.2° | 1.3° |
| C10 | C2 | C5 | C3 | 120.1° | 117.6° |
| C10 | C2 | C5 | N | 118.7° | 122.3° |
| C10 | C2 | C5 | N1 | 152.8° | 154.8° |
| C10 | C2 | C3 | N | 123.7° | 127.0° |
| C10 | C2 | C3 | C4 | 163.4° | 153.6° |
| C10 | C2 | C3 | C | 71.1° | 85.4° |
| C10 | C2 | N | C1 | 101.9° | 120.0° |
| C10 | C2 | C5 | H2 | 33.8° | 86.4° |
| C10 | C2 | C5 | H3 | 88.3° | 36.0° |
| C10 | C2 | C3 | H6 | 48.7° | 36.5° |
| C2 | C10 | C15 | H15 | 5.7° | 0.0° |
| N3 | C9 | C8 | H20 | 180.0° | 179.3° |
| N3 | C9 | C8 | F | 177.1° | 179.5° |
| N3 | C9 | C8 | C7 | 0.7° | 0.5° |
| C9 | N3 | C6 | N1 | 180.0° | 179.5° |
| C9 | N3 | C6 | N2 | 1.6° | 0.6° |
| C6 | N3 | C9 | C8 | 0.6° | 0.8° |
| N3 | C6 | N1 | C5 | 3.6° | 0.7° |
| N3 | C6 | N1 | N2 | 178.5° | 180.0° |
| N3 | C6 | N1 | C4 | 172.2° | 120.2° |
| N3 | C6 | N2 | C7 | 1.2° | 0.0° |
| C6 | N3 | C9 | H20 | 179.4° | 180.0° |
| C9 | C8 | F | C7 | 177.8° | 179.9° |
| C9 | C8 | C7 | N2 | 1.2° | 0.1° |
| C9 | C8 | C7 | H1 | 178.8° | 179.7° |
| C2 | C5 | N1 | H2 | 119.0° | 118.8° |
| C2 | C5 | N1 | H3 | 119.0° | 118.8° |
| C5 | C2 | C3 | N | 113.0° | 115.3° |
| C2 | C5 | N1 | C6 | 170.0° | 146.7° |
| C2 | C5 | N1 | C4 | 13.7° | 24.4° |
| C5 | C2 | C3 | C4 | 40.2° | 35.9° |
| C5 | C2 | C3 | C | 165.7° | 156.9° |
| C5 | C2 | N | C1 | 134.2° | 118.1° |
| C2 | C5 | H2 | H3 | 123.0° | 122.3° |
| C5 | C2 | C3 | H6 | 74.5° | 81.3° |
| N1 | C5 | C2 | C3 | 32.7° | 37.2° |
| N1 | C5 | C2 | N | 88.6° | 83.0° |
| C5 | N1 | C6 | C4 | 175.8° | 120.9° |
| C5 | N1 | C6 | N2 | 177.9° | 179.3° |
| C5 | N1 | C4 | C3 | 11.6° | 1.5° |
| N1 | C5 | H2 | H3 | 123.0° | 122.4° |
| C5 | N1 | C4 | H4 | 130.7° | 118.0° |
| C5 | N1 | C4 | H5 | 107.5° | 120.6° |
| C17 | C18 | N5 | H11 | 180.0° | 179.7° |
| C17 | C18 | N5 | C19 | 0.0° | 0.6° |
| C18 | C17 | N6 | C20 | 0.3° | 0.3° |
| N5 | C18 | C17 | N6 | 0.3° | 0.6° |
| C18 | N5 | C19 | C20 | 0.2° | 0.3° |
| C18 | N5 | C19 | O1 | 179.6° | 179.7° |
| C17 | N6 | C20 | C19 | 0.0° | 0.0° |
| C17 | N6 | C20 | H7 | 180.0° | 179.9° |
| N6 | C17 | C18 | H11 | 179.7° | 179.7° |
| C2 | C3 | C4 | N1 | 32.5° | 22.2° |
| C2 | C3 | C4 | C | 124.3° | 121.4° |
| C2 | C3 | C4 | H6 | 114.4° | 116.8° |
| C2 | C3 | C | H6 | 119.7° | 121.5° |
| C3 | C2 | N | C1 | 23.6° | 6.6° |
| C2 | C3 | C | S | 55.8° | 65.4° |
| C3 | C2 | C5 | H2 | 86.3° | 156.0° |
| C3 | C2 | C5 | H3 | 151.6° | 81.6° |
| C2 | C3 | C4 | H4 | 151.5° | 141.5° |
| C2 | C3 | C4 | H5 | 86.6° | 96.8° |
| C2 | C3 | C | H18 | 64.8° | 54.9° |
| C2 | C3 | C | H19 | 176.4° | 175.0° |
| N | C2 | C3 | C4 | 72.8° | 79.3° |
| N | C2 | C3 | C | 52.6° | 41.6° |
| C2 | N | C1 | S | 0.3° | 0.6° |
| C2 | N | C1 | N7 | 179.9° | 179.7° |
| N | C2 | C5 | H2 | 152.5° | 35.9° |
| N | C2 | C5 | H3 | 30.4° | 158.2° |
| N | C2 | C3 | H6 | 172.5° | 163.5° |
| F | C8 | C7 | N2 | 176.7° | 180.0° |
| F | C8 | C7 | H1 | 3.3° | 0.3° |
| F | C8 | C9 | H20 | 2.9° | 0.2° |
| C8 | C7 | N2 | C6 | 0.3° | 0.3° |
| C8 | C7 | N2 | H1 | 180.0° | 179.7° |
| C7 | C8 | C9 | H20 | 179.3° | 179.7° |
| C6 | N1 | C4 | C3 | 164.6° | 123.8° |
| N1 | C6 | N2 | C7 | 179.6° | 180.0° |
| C6 | N1 | C5 | H2 | 71.0° | 94.5° |
| C6 | N1 | C5 | H3 | 51.0° | 27.9° |
| C6 | N1 | C4 | H4 | 45.6° | 4.2° |
| C6 | N1 | C4 | H5 | 76.3° | 117.2° |
| N2 | C6 | N1 | C4 | 6.3° | 59.8° |
| C6 | N2 | C7 | H1 | 179.7° | 179.9° |
| N1 | C4 | C3 | H4 | 119.1° | 119.3° |
| N1 | C4 | C3 | H5 | 119.1° | 119.0° |
| N1 | C4 | C3 | C | 156.8° | 143.7° |
| C4 | N1 | C5 | H2 | 105.2° | 143.3° |
| C4 | N1 | C5 | H3 | 132.7° | 94.3° |
| N1 | C4 | H4 | H5 | 122.7° | 121.3° |
| N1 | C4 | C3 | H6 | 82.0° | 94.6° |
| N5 | C19 | C20 | N6 | 0.2° | 0.0° |
| N5 | C19 | C20 | O1 | 179.9° | 180.0° |
| N5 | C19 | O1 | C21 | 150.8° | 0.0° |
| N5 | C19 | C20 | H7 | 179.7° | 179.9° |
| C19 | N5 | C18 | H11 | 180.0° | 179.7° |
| C4 | C3 | C | H6 | 121.3° | 121.7° |
| C4 | C3 | C | S | 63.2° | 51.4° |
| C3 | C4 | H4 | H5 | 122.7° | 121.7° |
| C4 | C3 | C | H18 | 176.2° | 171.6° |
| C4 | C3 | C | H19 | 57.5° | 68.2° |
| C3 | C | S | H18 | 120.7° | 120.1° |
| C3 | C | S | H19 | 120.7° | 119.8° |
| C3 | C | S | C1 | 30.6° | 50.9° |
| C | C3 | C4 | H4 | 84.2° | 97.0° |
| C | C3 | C4 | H5 | 37.7° | 24.6° |
| C3 | C | H18 | H19 | 118.1° | 120.1° |
| N6 | C20 | C19 | H7 | 180.0° | 179.9° |
| N6 | C20 | C19 | O1 | 179.6° | 180.0° |
| N | C1 | S | C | 3.7° | 20.6° |
| N | C1 | S | N7 | 179.8° | 179.7° |
| N | C1 | N7 | H16 | 0.0° | 179.7° |
| N | C1 | N7 | H17 | 180.0° | 0.2° |
| C20 | C19 | O1 | C21 | 29.1° | 180.0° |
| O1 | C19 | C20 | H7 | 0.4° | 0.1° |
| C19 | O1 | C21 | H8 | 180.0° | 60.0° |
| C19 | O1 | C21 | H9 | 60.0° | 180.0° |
| C19 | O1 | C21 | H10 | 60.0° | 60.0° |
| C | S | C1 | N7 | 176.5° | 159.1° |
| S | C | C3 | H6 | 175.5° | 173.1° |
| S | C | H18 | H19 | 118.0° | 119.9° |
| O1 | C21 | H8 | H9 | 120.0° | 120.0° |
| O1 | C21 | H8 | H10 | 120.0° | 120.0° |
| O1 | C21 | H9 | H10 | 120.0° | 119.9° |
| S | C1 | N7 | H16 | 179.8° | 0.0° |
| S | C1 | N7 | H17 | 0.1° | 179.9° |
| C1 | S | C | H18 | 90.1° | 69.1° |
| C1 | S | C | H19 | 151.2° | 170.7° |
| C1 | N7 | H16 | H17 | 180.0° | 179.9° |
| H4 | C4 | C3 | H6 | 37.1° | 24.7° |
| H5 | C4 | C3 | H6 | 159.0° | 146.4° |
| H6 | C3 | C | H18 | 54.8° | 66.7° |
| H6 | C3 | C | H19 | 63.9° | 53.5° |
| H8 | C21 | H9 | H10 | 120.0° | 120.0° |
| H13 | C13 | C12 | H14 | 0.2° | 0.0° |
