H22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C17 | sing | 1.34Å | 1.34Å | |
| C17 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N1 | sing | 1.42Å | 1.42Å | |
| C9 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C21 | sing | 1.33Å | 1.33Å | |
| N1 | C8 | sing | 1.42Å | 1.42Å | |
| C21 | C29 | doub | 1.39Å | 1.39Å | |
| C29 | C30 | sing | 1.46Å | 1.46Å | |
| C30 | C23 | doub | 1.45Å | 1.45Å | |
| C23 | C8 | sing | 1.38Å | 1.38Å | |
| C8 | O25 | doub | 1.35Å | 1.35Å | |
| C26 | C28 | doub | 1.41Å | 1.41Å | Aromatic |
| C28 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.36Å | 1.36Å | |
| N15 | C14 | sing | 1.34Å | 1.34Å | |
| C14 | O27 | doub | 1.22Å | 1.22Å | |
| C14 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C20 | sing | 1.48Å | 1.48Å | |
| N4 | C31 | sing | 1.47Å | 1.47Å | |
| C20 | C24 | sing | 1.53Å | 1.53Å | |
| C34 | C24 | sing | 1.52Å | 1.52Å | |
| C34 | C31 | sing | 1.53Å | 1.53Å | |
| C24 | N7 | sing | 1.46Å | 1.46Å | |
| N7 | C5 | sing | 1.33Å | 1.33Å | |
| C5 | O24 | doub | 1.22Å | 1.22Å | |
| C5 | C2 | sing | 1.49Å | 1.49Å | |
| C2 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | S3 | sing | 1.74Å | 1.74Å | Aromatic |
| C12 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| S3 | C10 | sing | 1.73Å | 1.73Å | Aromatic |
| C10 | CL1 | sing | 1.84Å | 1.84Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 1.00Å | 1.00Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| N7 | H7 | sing | 1.00Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C17 | C11 | 118.3° | 118.3° |
| F3 | C17 | C16 | 120.0° | 120.0° |
| C11 | C17 | C16 | 121.7° | 121.7° |
| C17 | C11 | C9 | 119.7° | 119.7° |
| C17 | C11 | H11 | 120.2° | 120.2° |
| C17 | C16 | C28 | 119.2° | 119.2° |
| C17 | C16 | N15 | 119.4° | 119.4° |
| C11 | C9 | N1 | 118.2° | 118.2° |
| C11 | C9 | C26 | 119.5° | 119.5° |
| C9 | C11 | H11 | 120.1° | 120.1° |
| N1 | C9 | C26 | 122.4° | 122.4° |
| C9 | N1 | C21 | 120.2° | 120.2° |
| C9 | N1 | C8 | 120.8° | 120.8° |
| C9 | C26 | C28 | 120.7° | 120.7° |
| C9 | C26 | H26 | 119.7° | 119.7° |
| C21 | N1 | C8 | 119.0° | 119.0° |
| N1 | C21 | C29 | 121.7° | 121.7° |
| N1 | C21 | H21 | 119.1° | 119.1° |
| N1 | C8 | C23 | 121.4° | 121.4° |
| N1 | C8 | O25 | 121.0° | 121.0° |
| C21 | C29 | C30 | 123.5° | 123.5° |
| C29 | C21 | H21 | 119.2° | 119.2° |
| C21 | C29 | H29 | 118.2° | 118.2° |
| C29 | C30 | C23 | 112.4° | 112.4° |
| C30 | C29 | H29 | 118.3° | 118.3° |
| C29 | C30 | H30 | 123.8° | 123.8° |
| C30 | C23 | C8 | 121.9° | 121.9° |
| C23 | C30 | H30 | 123.8° | 123.8° |
| C30 | C23 | H23 | 119.1° | 119.1° |
| C23 | C8 | O25 | 117.6° | 117.6° |
| C8 | C23 | H23 | 119.0° | 119.0° |
| C26 | C28 | C16 | 119.3° | 119.3° |
| C28 | C26 | H26 | 119.6° | 119.6° |
| C26 | C28 | H28 | 120.4° | 120.4° |
| C28 | C16 | N15 | 121.5° | 121.5° |
| C16 | C28 | H28 | 120.4° | 120.4° |
| C16 | N15 | C14 | 120.7° | 120.7° |
| C16 | N15 | H15 | 119.6° | 119.6° |
| N15 | C14 | O27 | 123.5° | 123.5° |
| N15 | C14 | C22 | 118.8° | 118.8° |
| C14 | N15 | H15 | 119.7° | 119.7° |
| O27 | C14 | C22 | 117.6° | 117.6° |
| C14 | C22 | N4 | 111.1° | 111.1° |
| C14 | C22 | H221 | 109.0° | 108.9° |
| C14 | C22 | H222 | 108.6° | 108.6° |
| C22 | N4 | C20 | 111.5° | 111.5° |
| C22 | N4 | C31 | 109.4° | 109.4° |
| N4 | C22 | H221 | 108.9° | 109.0° |
| N4 | C22 | H222 | 108.6° | 108.6° |
| C20 | N4 | C31 | 107.7° | 107.7° |
| N4 | C20 | C24 | 108.1° | 108.1° |
| N4 | C20 | H201 | 109.9° | 109.9° |
| N4 | C20 | H202 | 110.3° | 110.3° |
| N4 | C31 | C34 | 105.1° | 105.1° |
| N4 | C31 | H311 | 110.9° | 110.9° |
| N4 | C31 | H312 | 111.9° | 111.9° |
| C20 | C24 | C34 | 105.0° | 105.0° |
| C20 | C24 | N7 | 107.6° | 107.6° |
| C24 | C20 | H201 | 109.9° | 109.9° |
| C24 | C20 | H202 | 110.3° | 110.3° |
| C20 | C24 | H24 | 113.0° | 113.0° |
| C24 | C34 | C31 | 106.3° | 106.3° |
| C34 | C24 | N7 | 108.0° | 108.0° |
| C34 | C24 | H24 | 112.6° | 112.7° |
| C24 | C34 | H341 | 110.6° | 110.6° |
| C24 | C34 | H342 | 111.2° | 111.2° |
| C34 | C31 | H311 | 111.0° | 111.0° |
| C34 | C31 | H312 | 111.9° | 111.9° |
| C31 | C34 | H341 | 110.6° | 110.6° |
| C31 | C34 | H342 | 111.2° | 111.2° |
| C24 | N7 | C5 | 119.4° | 119.4° |
| N7 | C24 | H24 | 110.2° | 110.2° |
| C24 | N7 | H7 | 120.3° | 120.3° |
| N7 | C5 | O24 | 121.0° | 121.0° |
| N7 | C5 | C2 | 121.0° | 121.0° |
| C5 | N7 | H7 | 120.2° | 120.2° |
| O24 | C5 | C2 | 117.9° | 117.9° |
| C5 | C2 | C12 | 134.4° | 134.4° |
| C5 | C2 | S3 | 111.0° | 111.0° |
| C12 | C2 | S3 | 114.6° | 114.6° |
| C2 | C12 | C19 | 112.4° | 112.4° |
| C2 | C12 | H12 | 123.8° | 123.8° |
| C2 | S3 | C10 | 86.5° | 86.5° |
| C12 | C19 | C10 | 108.8° | 108.8° |
| C19 | C12 | H12 | 123.8° | 123.8° |
| C12 | C19 | H19 | 125.6° | 125.6° |
| C19 | C10 | S3 | 117.7° | 117.7° |
| C19 | C10 | CL1 | 123.4° | 123.4° |
| C10 | C19 | H19 | 125.6° | 125.6° |
| S3 | C10 | CL1 | 118.9° | 118.9° |
| H221 | C22 | H222 | 110.7° | 110.7° |
| H201 | C20 | H202 | 108.4° | 108.4° |
| H311 | C31 | H312 | 106.1° | 106.1° |
| H341 | C34 | H342 | 107.0° | 107.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C17 | C11 | C16 | 179.6° | 179.6° |
| F3 | C17 | C11 | C9 | 179.9° | 179.9° |
| F3 | C17 | C16 | C28 | 179.5° | 179.5° |
| F3 | C17 | C16 | N15 | 0.0° | 0.0° |
| F3 | C17 | C11 | H11 | 0.1° | 0.1° |
| C17 | C11 | C9 | H11 | 180.0° | 180.0° |
| C17 | C11 | C9 | N1 | 179.6° | 179.6° |
| C17 | C11 | C9 | C26 | 0.1° | 0.1° |
| C11 | C17 | C16 | C28 | 0.9° | 0.9° |
| C11 | C17 | C16 | N15 | 179.7° | 179.7° |
| C16 | C17 | C11 | C9 | 0.3° | 0.3° |
| C17 | C16 | C28 | C26 | 1.0° | 1.0° |
| C17 | C16 | C28 | N15 | 179.5° | 179.5° |
| C17 | C16 | N15 | C14 | 55.6° | 55.6° |
| C16 | C17 | C11 | H11 | 179.7° | 179.7° |
| C17 | C16 | C28 | H28 | 179.0° | 179.0° |
| C17 | C16 | N15 | H15 | 124.4° | 124.4° |
| C11 | C9 | N1 | C26 | 179.8° | 179.8° |
| C11 | C9 | N1 | C21 | 103.7° | 103.7° |
| C11 | C9 | N1 | C8 | 76.0° | 76.0° |
| C11 | C9 | C26 | C28 | 0.0° | 0.0° |
| C11 | C9 | C26 | H26 | 180.0° | 180.0° |
| C9 | N1 | C21 | C8 | 179.8° | 179.8° |
| C9 | N1 | C21 | C29 | 179.7° | 179.7° |
| C9 | N1 | C8 | C23 | 179.8° | 179.8° |
| C9 | N1 | C8 | O25 | 0.4° | 0.4° |
| N1 | C9 | C26 | C28 | 179.8° | 179.8° |
| N1 | C9 | C11 | H11 | 0.4° | 0.4° |
| N1 | C9 | C26 | H26 | 0.2° | 0.2° |
| C9 | N1 | C21 | H21 | 0.3° | 0.3° |
| C26 | C9 | N1 | C21 | 76.5° | 76.5° |
| C26 | C9 | N1 | C8 | 103.7° | 103.7° |
| C9 | C26 | C28 | H26 | 180.0° | 180.0° |
| C9 | C26 | C28 | C16 | 0.6° | 0.6° |
| C26 | C9 | C11 | H11 | 179.8° | 179.8° |
| C9 | C26 | C28 | H28 | 179.4° | 179.4° |
| N1 | C21 | C29 | H21 | 180.0° | 180.0° |
| N1 | C21 | C29 | C30 | 0.4° | 0.4° |
| C21 | N1 | C8 | C23 | 0.1° | 0.1° |
| C21 | N1 | C8 | O25 | 179.3° | 179.3° |
| N1 | C21 | C29 | H29 | 179.6° | 179.6° |
| C8 | N1 | C21 | C29 | 0.5° | 0.5° |
| N1 | C8 | C23 | C30 | 0.5° | 0.5° |
| N1 | C8 | C23 | O25 | 179.4° | 179.4° |
| C8 | N1 | C21 | H21 | 179.5° | 179.5° |
| N1 | C8 | C23 | H23 | 179.5° | 179.5° |
| C21 | C29 | C30 | H29 | 180.0° | 180.0° |
| C21 | C29 | C30 | C23 | 0.1° | 0.1° |
| C21 | C29 | C30 | H30 | 179.9° | 179.9° |
| C29 | C30 | C23 | H30 | 180.0° | 180.0° |
| C29 | C30 | C23 | C8 | 0.5° | 0.5° |
| C30 | C29 | C21 | H21 | 179.6° | 179.6° |
| C29 | C30 | C23 | H23 | 179.4° | 179.4° |
| C30 | C23 | C8 | H23 | 180.0° | 180.0° |
| C30 | C23 | C8 | O25 | 179.9° | 179.9° |
| C23 | C30 | C29 | H29 | 179.9° | 179.9° |
| C8 | C23 | C30 | H30 | 179.5° | 179.5° |
| O25 | C8 | C23 | H23 | 0.1° | 0.1° |
| C26 | C28 | C16 | H28 | 180.0° | 180.0° |
| C26 | C28 | C16 | N15 | 179.5° | 179.5° |
| C28 | C16 | N15 | C14 | 124.9° | 124.9° |
| C16 | C28 | C26 | H26 | 179.4° | 179.4° |
| C28 | C16 | N15 | H15 | 55.1° | 55.1° |
| C16 | N15 | C14 | H15 | 180.0° | 180.0° |
| C16 | N15 | C14 | O27 | 4.3° | 4.3° |
| C16 | N15 | C14 | C22 | 175.2° | 175.2° |
| N15 | C16 | C28 | H28 | 0.5° | 0.5° |
| N15 | C14 | O27 | C22 | 179.5° | 179.5° |
| N15 | C14 | C22 | N4 | 20.6° | 20.6° |
| N15 | C14 | C22 | H221 | 140.6° | 140.6° |
| N15 | C14 | C22 | H222 | 98.7° | 98.7° |
| O27 | C14 | C22 | N4 | 159.8° | 159.8° |
| O27 | C14 | N15 | H15 | 175.6° | 175.6° |
| O27 | C14 | C22 | H221 | 39.8° | 39.8° |
| O27 | C14 | C22 | H222 | 80.8° | 80.8° |
| C14 | C22 | N4 | H221 | 120.0° | 120.0° |
| C14 | C22 | N4 | H222 | 119.3° | 119.3° |
| C14 | C22 | N4 | C20 | 72.9° | 72.9° |
| C14 | C22 | N4 | C31 | 168.0° | 168.0° |
| C22 | C14 | N15 | H15 | 4.8° | 4.8° |
| C14 | C22 | H221 | H222 | 119.4° | 119.3° |
| C22 | N4 | C20 | C31 | 120.1° | 120.1° |
| C22 | N4 | C20 | C24 | 138.5° | 138.5° |
| C22 | N4 | C31 | C34 | 149.2° | 149.2° |
| N4 | C22 | H221 | H222 | 119.3° | 119.3° |
| C22 | N4 | C20 | H201 | 101.5° | 101.5° |
| C22 | N4 | C20 | H202 | 17.9° | 17.9° |
| C22 | N4 | C31 | H311 | 29.2° | 29.2° |
| C22 | N4 | C31 | H312 | 89.2° | 89.2° |
| N4 | C20 | C24 | H201 | 120.0° | 120.0° |
| N4 | C20 | C24 | H202 | 120.6° | 120.6° |
| N4 | C20 | C24 | C34 | 1.4° | 1.4° |
| C20 | N4 | C31 | C34 | 27.8° | 27.8° |
| N4 | C20 | C24 | N7 | 113.6° | 113.6° |
| C20 | N4 | C22 | H221 | 47.1° | 47.1° |
| C20 | N4 | C22 | H222 | 167.8° | 167.8° |
| N4 | C20 | H201 | H202 | 120.6° | 120.6° |
| C20 | N4 | C31 | H311 | 92.2° | 92.2° |
| C20 | N4 | C31 | H312 | 149.4° | 149.4° |
| N4 | C20 | C24 | H24 | 124.5° | 124.5° |
| C31 | N4 | C20 | C24 | 18.4° | 18.4° |
| N4 | C31 | C34 | C24 | 26.7° | 26.7° |
| N4 | C31 | C34 | H311 | 120.0° | 120.0° |
| N4 | C31 | C34 | H312 | 121.6° | 121.6° |
| C31 | N4 | C22 | H221 | 71.9° | 71.9° |
| C31 | N4 | C22 | H222 | 48.7° | 48.7° |
| C31 | N4 | C20 | H201 | 138.4° | 138.4° |
| C31 | N4 | C20 | H202 | 102.2° | 102.2° |
| N4 | C31 | H311 | H312 | 121.8° | 121.8° |
| N4 | C31 | C34 | H341 | 93.3° | 93.3° |
| N4 | C31 | C34 | H342 | 147.9° | 147.9° |
| C20 | C24 | C34 | N7 | 114.7° | 114.7° |
| C20 | C24 | C34 | H24 | 123.3° | 123.4° |
| C20 | C24 | C34 | C31 | 15.4° | 15.4° |
| C20 | C24 | N7 | H24 | 123.6° | 123.6° |
| C20 | C24 | N7 | C5 | 73.5° | 73.5° |
| C24 | C20 | H201 | H202 | 120.6° | 120.6° |
| C20 | C24 | C34 | H341 | 104.6° | 104.6° |
| C20 | C24 | C34 | H342 | 136.6° | 136.6° |
| C20 | C24 | N7 | H7 | 106.6° | 106.6° |
| C24 | C34 | C31 | H341 | 120.0° | 120.0° |
| C24 | C34 | C31 | H342 | 121.2° | 121.2° |
| C34 | C24 | N7 | H24 | 123.4° | 123.5° |
| C34 | C24 | N7 | C5 | 173.6° | 173.6° |
| C34 | C24 | C20 | H201 | 121.3° | 121.3° |
| C34 | C24 | C20 | H202 | 119.2° | 119.2° |
| C24 | C34 | C31 | H311 | 93.3° | 93.3° |
| C24 | C34 | C31 | H312 | 148.3° | 148.3° |
| C24 | C34 | H341 | H342 | 121.3° | 121.3° |
| C34 | C24 | N7 | H7 | 6.4° | 6.4° |
| C31 | C34 | C24 | N7 | 130.1° | 130.1° |
| C34 | C31 | H311 | H312 | 121.8° | 121.8° |
| C31 | C34 | C24 | H24 | 107.9° | 108.0° |
| C31 | C34 | H341 | H342 | 121.3° | 121.3° |
| C24 | N7 | C5 | H7 | 180.0° | 180.0° |
| C24 | N7 | C5 | O24 | 0.5° | 0.5° |
| C24 | N7 | C5 | C2 | 180.0° | 180.0° |
| N7 | C24 | C20 | H201 | 6.4° | 6.4° |
| N7 | C24 | C20 | H202 | 125.8° | 125.8° |
| N7 | C24 | C34 | H341 | 10.1° | 10.1° |
| N7 | C24 | C34 | H342 | 108.7° | 108.7° |
| N7 | C5 | O24 | C2 | 179.5° | 179.5° |
| N7 | C5 | C2 | C12 | 1.3° | 1.3° |
| N7 | C5 | C2 | S3 | 177.8° | 177.8° |
| C5 | N7 | C24 | H24 | 50.2° | 50.1° |
| O24 | C5 | C2 | C12 | 179.2° | 179.2° |
| O24 | C5 | C2 | S3 | 1.7° | 1.7° |
| O24 | C5 | N7 | H7 | 179.5° | 179.5° |
| C5 | C2 | C12 | S3 | 179.1° | 179.1° |
| C5 | C2 | C12 | C19 | 179.6° | 179.6° |
| C5 | C2 | S3 | C10 | 179.8° | 179.8° |
| C2 | C5 | N7 | H7 | 0.0° | 0.0° |
| C5 | C2 | C12 | H12 | 0.4° | 0.4° |
| C2 | C12 | C19 | H12 | 180.0° | 180.0° |
| C2 | C12 | C19 | C10 | 0.1° | 0.1° |
| C12 | C2 | S3 | C10 | 0.5° | 0.5° |
| C2 | C12 | C19 | H19 | 179.9° | 179.9° |
| S3 | C2 | C12 | C19 | 0.5° | 0.5° |
| C2 | S3 | C10 | C19 | 0.5° | 0.5° |
| C2 | S3 | C10 | CL1 | 180.0° | 180.0° |
| S3 | C2 | C12 | H12 | 179.5° | 179.5° |
| C12 | C19 | C10 | H19 | 180.0° | 180.0° |
| C12 | C19 | C10 | S3 | 0.3° | 0.3° |
| C12 | C19 | C10 | CL1 | 179.8° | 179.8° |
| C19 | C10 | S3 | CL1 | 179.5° | 179.5° |
| C10 | C19 | C12 | H12 | 179.9° | 179.9° |
| S3 | C10 | C19 | H19 | 179.7° | 179.7° |
| CL1 | C10 | C19 | H19 | 0.2° | 0.2° |
| H26 | C26 | C28 | H28 | 0.6° | 0.6° |
| H21 | C21 | C29 | H29 | 0.4° | 0.4° |
| H29 | C29 | C30 | H30 | 0.1° | 0.1° |
| H30 | C30 | C23 | H23 | 0.5° | 0.5° |
| H201 | C20 | C24 | H24 | 115.6° | 115.5° |
| H202 | C20 | C24 | H24 | 3.9° | 3.9° |
| H311 | C31 | C34 | H341 | 146.7° | 146.7° |
| H311 | C31 | C34 | H342 | 27.9° | 27.9° |
| H312 | C31 | C34 | H341 | 28.3° | 28.3° |
| H312 | C31 | C34 | H342 | 90.4° | 90.4° |
| H24 | C24 | C34 | H341 | 132.0° | 132.0° |
| H24 | C24 | C34 | H342 | 13.3° | 13.3° |
| H24 | C24 | N7 | H7 | 129.8° | 129.8° |
| H12 | C12 | C19 | H19 | 0.1° | 0.1° |
