ZO0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F13 | C11 | sing | 1.40Å | 1.31Å | |
| C11 | F14 | sing | 1.40Å | 1.32Å | |
| C11 | F12 | sing | 1.40Å | 1.32Å | |
| C11 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.31Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.34Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.50Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.49Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N15 | sing | 1.38Å | 1.42Å | |
| N15 | C16 | sing | 1.40Å | 1.47Å | |
| N15 | C21 | sing | 1.48Å | 1.46Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | N19 | sing | 1.48Å | 1.45Å | |
| N19 | C22 | sing | 1.47Å | 1.46Å | |
| N19 | C20 | sing | 1.48Å | 1.46Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F13 | C11 | F14 | 109.0° | 109.5° |
| F13 | C11 | F12 | 111.6° | 109.4° |
| F13 | C11 | C2 | 103.5° | 109.4° |
| F14 | C11 | F12 | 106.2° | 109.5° |
| F14 | C11 | C2 | 116.2° | 109.5° |
| F12 | C11 | C2 | 110.4° | 109.5° |
| C11 | C2 | N1 | 121.6° | 118.5° |
| C11 | C2 | N3 | 115.9° | 118.5° |
| N1 | C2 | N3 | 122.5° | 123.0° |
| C2 | N1 | C6 | 119.6° | 120.4° |
| C2 | N3 | C4 | 124.7° | 121.5° |
| N1 | C6 | C7 | 120.6° | 121.9° |
| N1 | C6 | C5 | 120.5° | 118.7° |
| C7 | C6 | C5 | 119.0° | 119.3° |
| C6 | C7 | C8 | 120.1° | 119.5° |
| C6 | C7 | H7 | 119.9° | 120.3° |
| C6 | C5 | C10 | 119.1° | 119.7° |
| C6 | C5 | C4 | 116.4° | 118.2° |
| C7 | C8 | C9 | 120.8° | 121.0° |
| C8 | C7 | H7 | 120.0° | 120.2° |
| C7 | C8 | H8 | 119.6° | 119.5° |
| C8 | C9 | C10 | 121.7° | 120.9° |
| C9 | C8 | H8 | 119.6° | 119.4° |
| C8 | C9 | H9 | 119.1° | 119.6° |
| C9 | C10 | C5 | 119.3° | 119.5° |
| C10 | C9 | H9 | 119.1° | 119.6° |
| C9 | C10 | H10 | 120.4° | 120.2° |
| C10 | C5 | C4 | 124.6° | 122.1° |
| C5 | C10 | H10 | 120.4° | 120.2° |
| C5 | C4 | N3 | 116.4° | 118.2° |
| C5 | C4 | N15 | 126.2° | 120.9° |
| N3 | C4 | N15 | 117.4° | 120.9° |
| C4 | N15 | C16 | 117.6° | 111.0° |
| C4 | N15 | C21 | 121.6° | 111.0° |
| C16 | N15 | C21 | 120.8° | 114.6° |
| N15 | C16 | C17 | 110.2° | 111.5° |
| N15 | C16 | H161 | 109.3° | 109.1° |
| N15 | C16 | H162 | 109.3° | 109.1° |
| N15 | C21 | C20 | 110.7° | 108.1° |
| N15 | C21 | H211 | 109.2° | 109.8° |
| N15 | C21 | H212 | 109.1° | 109.7° |
| C16 | C17 | C18 | 111.5° | 108.9° |
| C17 | C16 | H161 | 109.3° | 109.0° |
| C17 | C16 | H162 | 109.3° | 109.1° |
| C16 | C17 | H171 | 108.9° | 109.6° |
| C16 | C17 | H172 | 108.9° | 109.5° |
| C17 | C18 | N19 | 106.8° | 112.9° |
| C18 | C17 | H171 | 108.9° | 109.6° |
| C18 | C17 | H172 | 108.9° | 109.6° |
| C17 | C18 | H181 | 110.1° | 108.8° |
| C17 | C18 | H182 | 110.1° | 108.8° |
| C18 | N19 | C22 | 119.3° | 111.0° |
| C18 | N19 | C20 | 120.1° | 113.8° |
| N19 | C18 | H181 | 110.1° | 108.8° |
| N19 | C18 | H182 | 110.1° | 108.8° |
| C22 | N19 | C20 | 120.5° | 111.0° |
| N19 | C22 | H221 | 109.5° | 109.5° |
| N19 | C22 | H222 | 109.4° | 109.5° |
| N19 | C22 | H223 | 109.5° | 109.5° |
| N19 | C20 | C21 | 106.4° | 111.9° |
| N19 | C20 | H201 | 110.2° | 109.0° |
| N19 | C20 | H202 | 110.2° | 109.0° |
| C20 | C21 | H211 | 109.2° | 109.7° |
| C20 | C21 | H212 | 109.2° | 109.8° |
| C21 | C20 | H201 | 110.2° | 109.0° |
| C21 | C20 | H202 | 110.2° | 108.9° |
| H161 | C16 | H162 | 109.5° | 109.1° |
| H211 | C21 | H212 | 109.4° | 109.8° |
| H171 | C17 | H172 | 109.5° | 109.6° |
| H181 | C18 | H182 | 109.5° | 108.7° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F13 | C11 | F14 | F12 | 120.3° | 120.0° |
| F13 | C11 | F14 | C2 | 116.5° | 120.0° |
| F13 | C11 | F12 | C2 | 114.6° | 120.0° |
| F13 | C11 | C2 | N1 | 101.6° | 15.0° |
| F13 | C11 | C2 | N3 | 76.4° | 165.3° |
| F14 | C11 | F12 | C2 | 126.8° | 120.0° |
| F14 | C11 | C2 | N1 | 17.9° | 105.0° |
| F14 | C11 | C2 | N3 | 164.1° | 74.7° |
| F12 | C11 | C2 | N1 | 138.9° | 135.0° |
| F12 | C11 | C2 | N3 | 43.2° | 45.3° |
| C11 | C2 | N1 | N3 | 177.8° | 179.7° |
| C11 | C2 | N1 | C6 | 178.8° | 180.0° |
| C11 | C2 | N3 | C4 | 180.0° | 179.7° |
| C2 | N1 | C6 | C7 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| N1 | C2 | N3 | C4 | 2.0° | 0.6° |
| N3 | C2 | N1 | C6 | 1.0° | 0.3° |
| C2 | N3 | C4 | C5 | 1.6° | 0.6° |
| C2 | N3 | C4 | N15 | 178.6° | 179.7° |
| N1 | C6 | C7 | C5 | 179.7° | 179.9° |
| N1 | C6 | C7 | C8 | 179.7° | 180.0° |
| N1 | C6 | C5 | C10 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| N1 | C6 | C7 | H7 | 0.2° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C6 | C5 | C10 | 0.0° | 0.1° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C5 | C10 | C9 | 0.0° | 0.1° |
| C6 | C5 | C10 | C4 | 179.6° | 179.9° |
| C6 | C5 | C4 | N3 | 0.3° | 0.3° |
| C6 | C5 | C4 | N15 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C10 | H10 | 180.0° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.1° | 0.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C10 | C5 | H10 | 180.0° | 180.0° |
| C9 | C10 | C5 | C4 | 179.6° | 180.0° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C10 | C5 | C4 | N3 | 179.4° | 179.7° |
| C10 | C5 | C4 | N15 | 0.4° | 0.0° |
| C5 | C10 | C9 | H9 | 179.9° | 180.0° |
| C5 | C4 | N3 | N15 | 179.8° | 179.7° |
| C5 | C4 | N15 | C16 | 132.5° | 115.4° |
| C5 | C4 | N15 | C21 | 49.5° | 116.0° |
| C4 | C5 | C10 | H10 | 0.4° | 0.0° |
| N3 | C4 | N15 | C16 | 47.7° | 64.4° |
| N3 | C4 | N15 | C21 | 130.3° | 64.3° |
| C4 | N15 | C16 | C21 | 178.0° | 126.7° |
| C4 | N15 | C16 | C17 | 140.2° | 171.8° |
| C4 | N15 | C21 | C20 | 141.0° | 152.0° |
| C4 | N15 | C16 | H161 | 99.8° | 51.4° |
| C4 | N15 | C16 | H162 | 20.0° | 67.6° |
| C4 | N15 | C21 | H211 | 98.8° | 88.4° |
| C4 | N15 | C21 | H212 | 20.8° | 32.3° |
| N15 | C16 | C17 | H161 | 120.1° | 120.5° |
| N15 | C16 | C17 | H162 | 120.1° | 120.5° |
| N15 | C16 | C17 | C18 | 90.9° | 76.1° |
| C16 | N15 | C21 | C20 | 41.1° | 81.3° |
| N15 | C16 | H161 | H162 | 119.7° | 119.1° |
| C16 | N15 | C21 | H211 | 79.1° | 38.3° |
| C16 | N15 | C21 | H212 | 161.3° | 159.0° |
| N15 | C16 | C17 | H171 | 148.8° | 43.8° |
| N15 | C16 | C17 | H172 | 29.3° | 164.1° |
| C21 | N15 | C16 | C17 | 37.9° | 61.5° |
| N15 | C21 | C20 | N19 | 88.3° | 94.6° |
| N15 | C21 | C20 | H211 | 120.2° | 119.6° |
| N15 | C21 | C20 | H212 | 120.2° | 119.6° |
| C21 | N15 | C16 | H161 | 82.2° | 178.1° |
| C21 | N15 | C16 | H162 | 158.0° | 59.0° |
| N15 | C21 | H211 | H212 | 119.4° | 120.7° |
| N15 | C21 | C20 | H201 | 31.2° | 26.0° |
| N15 | C21 | C20 | H202 | 152.2° | 144.8° |
| C16 | C17 | C18 | H171 | 120.3° | 119.9° |
| C16 | C17 | C18 | H172 | 120.3° | 119.7° |
| C16 | C17 | C18 | N19 | 76.4° | 92.7° |
| C17 | C16 | H161 | H162 | 119.7° | 119.0° |
| C16 | C17 | H171 | H172 | 119.1° | 120.2° |
| C16 | C17 | C18 | H181 | 43.2° | 146.4° |
| C16 | C17 | C18 | H182 | 164.1° | 28.2° |
| C17 | C18 | N19 | H181 | 119.6° | 120.9° |
| C17 | C18 | N19 | H182 | 119.6° | 120.9° |
| C17 | C18 | N19 | C22 | 116.5° | 167.8° |
| C17 | C18 | N19 | C20 | 63.6° | 41.7° |
| C18 | C17 | C16 | H161 | 29.2° | 163.5° |
| C18 | C17 | C16 | H162 | 149.0° | 44.5° |
| C18 | C17 | H171 | H172 | 119.1° | 120.3° |
| C17 | C18 | H181 | H182 | 121.2° | 118.3° |
| C18 | N19 | C22 | C20 | 179.9° | 127.6° |
| C18 | N19 | C20 | C21 | 81.7° | 41.2° |
| N19 | C18 | C17 | H171 | 163.4° | 27.2° |
| N19 | C18 | C17 | H172 | 43.9° | 147.6° |
| N19 | C18 | H181 | H182 | 121.2° | 118.4° |
| C18 | N19 | C22 | H221 | 180.0° | 60.0° |
| C18 | N19 | C22 | H222 | 60.0° | 180.0° |
| C18 | N19 | C22 | H223 | 60.0° | 60.0° |
| C18 | N19 | C20 | H201 | 37.8° | 79.5° |
| C18 | N19 | C20 | H202 | 158.7° | 161.7° |
| C22 | N19 | C20 | C21 | 98.4° | 84.9° |
| C22 | N19 | C18 | H181 | 123.9° | 71.3° |
| C22 | N19 | C18 | H182 | 3.0° | 46.9° |
| N19 | C22 | H221 | H222 | 120.0° | 120.1° |
| N19 | C22 | H221 | H223 | 120.0° | 120.0° |
| N19 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | N19 | C20 | H201 | 142.1° | 154.4° |
| C22 | N19 | C20 | H202 | 21.1° | 35.6° |
| N19 | C20 | C21 | H201 | 119.5° | 120.7° |
| N19 | C20 | C21 | H202 | 119.5° | 120.6° |
| N19 | C20 | C21 | H211 | 31.9° | 25.0° |
| N19 | C20 | C21 | H212 | 151.5° | 145.7° |
| C20 | N19 | C18 | H181 | 56.0° | 162.6° |
| C20 | N19 | C18 | H182 | 176.8° | 79.1° |
| C20 | N19 | C22 | H221 | 0.1° | 67.6° |
| C20 | N19 | C22 | H222 | 119.9° | 52.4° |
| C20 | N19 | C22 | H223 | 120.1° | 172.4° |
| N19 | C20 | H201 | H202 | 121.4° | 118.8° |
| C20 | C21 | H211 | H212 | 119.5° | 120.7° |
| C21 | C20 | H201 | H202 | 121.4° | 118.7° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.0° |
| H161 | C16 | C17 | H171 | 91.1° | 76.6° |
| H161 | C16 | C17 | H172 | 149.5° | 43.7° |
| H162 | C16 | C17 | H171 | 28.7° | 164.4° |
| H162 | C16 | C17 | H172 | 90.8° | 75.3° |
| H211 | C21 | C20 | H201 | 151.4° | 145.7° |
| H211 | C21 | C20 | H202 | 87.6° | 95.6° |
| H212 | C21 | C20 | H201 | 89.0° | 93.6° |
| H212 | C21 | C20 | H202 | 32.0° | 25.1° |
| H171 | C17 | C18 | H181 | 77.1° | 93.7° |
| H171 | C17 | C18 | H182 | 43.8° | 148.1° |
| H172 | C17 | C18 | H181 | 163.5° | 26.7° |
| H172 | C17 | C18 | H182 | 75.7° | 91.5° |
| H221 | C22 | H222 | H223 | 120.0° | 119.9° |
