CZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.43Å | |
| N1 | C9 | doub | 1.31Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.57Å | |
| C2 | C10 | sing | 1.53Å | 1.56Å | |
| C2 | O33 | sing | 1.43Å | 1.46Å | |
| C3 | N4 | sing | 1.35Å | 1.31Å | |
| C3 | O18 | doub | 1.21Å | 1.23Å | |
| N4 | C5 | sing | 1.37Å | 1.49Å | |
| N4 | C9 | sing | 1.38Å | 1.36Å | |
| C5 | C6 | doub | 1.36Å | 1.37Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | N7 | sing | 1.34Å | 1.50Å | |
| C6 | C19 | sing | 1.48Å | 1.46Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | |
| C8 | C9 | sing | 1.47Å | 1.51Å | |
| C8 | C26 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C19 | C20 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.45Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | O25 | sing | 1.36Å | 1.35Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.44Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| O33 | O34 | sing | 1.47Å | 1.42Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C9 | 105.7° | 107.7° |
| N1 | C2 | C3 | 102.9° | 104.1° |
| N1 | C2 | C10 | 110.7° | 110.5° |
| N1 | C2 | O33 | 104.4° | 110.5° |
| N1 | C9 | N4 | 116.3° | 112.1° |
| N1 | C9 | C8 | 127.3° | 129.8° |
| C3 | C2 | C10 | 110.9° | 110.5° |
| C3 | C2 | O33 | 117.2° | 110.5° |
| C2 | C3 | N4 | 107.6° | 105.3° |
| C2 | C3 | O18 | 125.2° | 127.4° |
| C10 | C2 | O33 | 110.2° | 110.5° |
| C2 | C10 | C11 | 114.1° | 109.5° |
| C2 | C10 | H101 | 110.5° | 109.4° |
| C2 | C10 | H102 | 110.5° | 109.5° |
| C2 | O33 | O34 | 115.4° | 106.8° |
| N4 | C3 | O18 | 127.2° | 127.3° |
| C3 | N4 | C5 | 127.2° | 130.4° |
| C3 | N4 | C9 | 107.5° | 110.7° |
| C5 | N4 | C9 | 125.3° | 118.9° |
| N4 | C5 | C6 | 117.3° | 120.5° |
| N4 | C5 | H5 | 125.4° | 119.7° |
| N4 | C9 | C8 | 116.4° | 118.0° |
| C6 | C5 | H5 | 117.3° | 119.7° |
| C5 | C6 | N7 | 119.0° | 121.8° |
| C5 | C6 | C19 | 123.6° | 119.1° |
| N7 | C6 | C19 | 117.4° | 119.1° |
| C6 | N7 | C8 | 123.0° | 121.3° |
| C6 | C19 | C20 | 118.1° | 120.1° |
| C6 | C19 | C24 | 122.6° | 120.1° |
| N7 | C8 | C9 | 119.2° | 119.4° |
| N7 | C8 | C26 | 117.2° | 120.3° |
| C9 | C8 | C26 | 123.6° | 120.3° |
| C8 | C26 | C27 | 112.2° | 109.5° |
| C8 | C26 | H261 | 111.1° | 109.5° |
| C8 | C26 | H262 | 111.2° | 109.4° |
| C11 | C10 | H101 | 110.5° | 109.4° |
| C11 | C10 | H102 | 110.5° | 109.5° |
| C10 | C11 | C12 | 121.3° | 119.9° |
| C10 | C11 | C16 | 119.5° | 119.9° |
| H101 | C10 | H102 | 99.8° | 109.5° |
| C12 | C11 | C16 | 119.1° | 120.2° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | H12 | 120.6° | 120.0° |
| C11 | C16 | C15 | 120.3° | 120.0° |
| C11 | C16 | H16 | 120.2° | 120.0° |
| C13 | C12 | H12 | 118.8° | 120.0° |
| C12 | C13 | C14 | 119.9° | 119.9° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.4° | 119.9° |
| C13 | C14 | O17 | 118.0° | 120.0° |
| C15 | C14 | O17 | 121.6° | 120.1° |
| C14 | C15 | C16 | 119.6° | 119.9° |
| C14 | C15 | H15 | 120.7° | 120.0° |
| C14 | O17 | H17 | 118.0° | 106.9° |
| C16 | C15 | H15 | 119.7° | 120.1° |
| C15 | C16 | H16 | 119.5° | 120.0° |
| C20 | C19 | C24 | 119.3° | 119.9° |
| C19 | C20 | C21 | 120.0° | 119.9° |
| C19 | C20 | H20 | 120.3° | 120.0° |
| C19 | C24 | C23 | 120.3° | 119.9° |
| C19 | C24 | H24 | 121.2° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.1° |
| C20 | C21 | C22 | 120.3° | 120.1° |
| C20 | C21 | H21 | 119.7° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.2° |
| C21 | C22 | O25 | 118.4° | 119.9° |
| C23 | C22 | O25 | 121.2° | 119.9° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C22 | C23 | H23 | 120.6° | 120.0° |
| C22 | O25 | H25 | 118.3° | 106.8° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | H24 | 118.5° | 120.0° |
| C27 | C26 | H261 | 111.2° | 109.5° |
| C27 | C26 | H262 | 111.2° | 109.5° |
| C26 | C27 | C28 | 119.8° | 120.0° |
| C26 | C27 | C32 | 120.9° | 120.0° |
| H261 | C26 | H262 | 99.2° | 109.5° |
| C28 | C27 | C32 | 119.3° | 120.0° |
| C27 | C28 | C29 | 120.2° | 120.0° |
| C27 | C28 | H28 | 119.8° | 120.0° |
| C27 | C32 | C31 | 120.3° | 120.0° |
| C27 | C32 | H32 | 120.4° | 120.0° |
| C29 | C28 | H28 | 120.1° | 119.9° |
| C28 | C29 | C30 | 120.3° | 120.0° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C30 | C29 | H29 | 119.7° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C29 | C30 | H30 | 120.1° | 120.1° |
| C31 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | C32 | 120.2° | 120.0° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| C32 | C31 | H31 | 119.7° | 120.0° |
| C31 | C32 | H32 | 119.3° | 120.0° |
| O33 | O34 | H34 | 115.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C10 | 118.4° | 118.7° |
| N1 | C2 | C3 | O33 | 113.8° | 118.7° |
| N1 | C2 | C10 | O33 | 115.0° | 122.6° |
| N1 | C2 | C3 | N4 | 0.0° | 0.1° |
| N1 | C2 | C3 | O18 | 179.8° | 179.9° |
| C2 | N1 | C9 | N4 | 0.0° | 0.0° |
| C2 | N1 | C9 | C8 | 179.9° | 180.0° |
| N1 | C2 | C10 | C11 | 176.1° | 63.4° |
| N1 | C2 | C10 | H101 | 58.7° | 176.7° |
| N1 | C2 | C10 | H102 | 50.9° | 56.7° |
| N1 | C2 | O33 | O34 | 123.6° | 57.4° |
| C9 | N1 | C2 | C3 | 0.0° | 0.1° |
| C9 | N1 | C2 | C10 | 118.5° | 118.8° |
| C9 | N1 | C2 | O33 | 122.8° | 118.6° |
| N1 | C9 | N4 | C3 | 0.0° | 0.0° |
| N1 | C9 | N4 | C5 | 179.8° | 179.9° |
| N1 | C9 | N4 | C8 | 179.9° | 180.0° |
| N1 | C9 | C8 | N7 | 180.0° | 180.0° |
| N1 | C9 | C8 | C26 | 0.1° | 0.0° |
| C3 | C2 | C10 | O33 | 131.5° | 122.7° |
| C2 | C3 | N4 | O18 | 179.8° | 180.0° |
| C2 | C3 | N4 | C5 | 179.8° | 179.9° |
| C2 | C3 | N4 | C9 | 0.0° | 0.1° |
| C3 | C2 | C10 | C11 | 70.3° | 178.1° |
| C3 | C2 | C10 | H101 | 54.9° | 62.0° |
| C3 | C2 | C10 | H102 | 164.4° | 58.0° |
| C3 | C2 | O33 | O34 | 10.7° | 57.3° |
| C10 | C2 | C3 | N4 | 118.4° | 118.8° |
| C10 | C2 | C3 | O18 | 61.8° | 61.3° |
| C2 | C10 | C11 | H101 | 125.2° | 119.9° |
| C2 | C10 | C11 | H102 | 125.3° | 120.0° |
| C2 | C10 | H101 | H102 | 116.4° | 120.0° |
| C2 | C10 | C11 | C12 | 69.6° | 90.0° |
| C2 | C10 | C11 | C16 | 110.1° | 90.3° |
| C10 | C2 | O33 | O34 | 117.4° | 180.0° |
| O33 | C2 | C3 | N4 | 113.8° | 118.6° |
| O33 | C2 | C3 | O18 | 66.0° | 61.4° |
| O33 | C2 | C10 | C11 | 61.1° | 59.3° |
| O33 | C2 | C10 | H101 | 173.7° | 60.7° |
| O33 | C2 | C10 | H102 | 64.1° | 179.3° |
| C2 | O33 | O34 | H34 | 180.0° | 180.0° |
| C3 | N4 | C5 | C9 | 179.7° | 180.0° |
| C3 | N4 | C5 | C6 | 180.0° | 179.9° |
| C3 | N4 | C5 | H5 | 0.0° | 0.1° |
| C3 | N4 | C9 | C8 | 179.9° | 179.9° |
| O18 | C3 | N4 | C5 | 0.4° | 0.1° |
| O18 | C3 | N4 | C9 | 179.8° | 179.9° |
| N4 | C5 | C6 | H5 | 180.0° | 179.8° |
| N4 | C5 | C6 | N7 | 0.1° | 0.0° |
| N4 | C5 | C6 | C19 | 179.5° | 179.9° |
| C5 | N4 | C9 | C8 | 0.3° | 0.1° |
| C9 | N4 | C5 | C6 | 0.3° | 0.1° |
| C9 | N4 | C5 | H5 | 179.7° | 179.9° |
| N4 | C9 | C8 | N7 | 0.2° | 0.0° |
| N4 | C9 | C8 | C26 | 179.9° | 180.0° |
| C5 | C6 | N7 | C19 | 179.6° | 179.9° |
| C5 | C6 | N7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C19 | C20 | 154.1° | 140.2° |
| C5 | C6 | C19 | C24 | 26.3° | 40.0° |
| H5 | C5 | C6 | N7 | 179.9° | 179.9° |
| H5 | C5 | C6 | C19 | 0.5° | 0.1° |
| C6 | N7 | C8 | C9 | 0.0° | 0.0° |
| C6 | N7 | C8 | C26 | 179.9° | 179.9° |
| N7 | C6 | C19 | C20 | 26.3° | 39.8° |
| N7 | C6 | C19 | C24 | 153.3° | 140.0° |
| C19 | C6 | N7 | C8 | 179.7° | 180.0° |
| C6 | C19 | C20 | C24 | 179.6° | 179.8° |
| C6 | C19 | C20 | C21 | 179.7° | 180.0° |
| C6 | C19 | C20 | H20 | 0.3° | 0.1° |
| C6 | C19 | C24 | C23 | 179.7° | 179.7° |
| C6 | C19 | C24 | H24 | 0.3° | 0.2° |
| N7 | C8 | C9 | C26 | 179.9° | 180.0° |
| N7 | C8 | C26 | C27 | 82.5° | 0.0° |
| N7 | C8 | C26 | H261 | 42.8° | 120.0° |
| N7 | C8 | C26 | H262 | 152.3° | 120.0° |
| C9 | C8 | C26 | C27 | 97.4° | 180.0° |
| C9 | C8 | C26 | H261 | 137.3° | 60.0° |
| C9 | C8 | C26 | H262 | 27.8° | 60.0° |
| C8 | C26 | C27 | H261 | 125.2° | 120.0° |
| C8 | C26 | C27 | H262 | 125.2° | 120.0° |
| C8 | C26 | H261 | H262 | 117.0° | 120.0° |
| C8 | C26 | C27 | C28 | 112.9° | 90.0° |
| C8 | C26 | C27 | C32 | 67.4° | 90.3° |
| C11 | C10 | H101 | H102 | 116.4° | 120.1° |
| C10 | C11 | C12 | C16 | 179.7° | 179.8° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C10 | C11 | C12 | H12 | 0.3° | 0.1° |
| C10 | C11 | C16 | C15 | 179.7° | 179.7° |
| C10 | C11 | C16 | H16 | 0.3° | 0.2° |
| H101 | C10 | C11 | C12 | 165.2° | 30.0° |
| H101 | C10 | C11 | C16 | 15.1° | 149.8° |
| H102 | C10 | C11 | C12 | 55.6° | 150.0° |
| H102 | C10 | C11 | C16 | 124.7° | 29.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C12 | C11 | C16 | H16 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.1° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.6° |
| C11 | C16 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | O17 | 180.0° | 180.0° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C13 | C14 | C15 | O17 | 179.9° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C13 | C14 | O17 | H17 | 180.0° | 90.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | O17 | 0.0° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | O17 | H17 | 0.1° | 89.9° |
| O17 | C14 | C15 | C16 | 180.0° | 179.7° |
| O17 | C14 | C15 | H15 | 0.1° | 0.1° |
| H15 | C15 | C16 | H16 | 0.1° | 0.2° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.5° |
| C20 | C19 | C24 | H24 | 179.9° | 180.0° |
| C24 | C19 | C20 | C21 | 0.1° | 0.2° |
| C24 | C19 | C20 | H20 | 179.9° | 179.8° |
| C19 | C24 | C23 | C22 | 0.1° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.5° |
| C19 | C24 | C23 | H23 | 179.9° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | O25 | 179.9° | 179.9° |
| H20 | C20 | C21 | C22 | 180.0° | 179.9° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| C21 | C22 | C23 | O25 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C21 | C22 | O25 | H25 | 179.9° | 90.0° |
| H21 | C21 | C22 | C23 | 179.9° | 179.9° |
| H21 | C21 | C22 | O25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C23 | C22 | O25 | H25 | 0.0° | 90.0° |
| O25 | C22 | C23 | C24 | 179.9° | 179.7° |
| O25 | C22 | C23 | H23 | 0.1° | 0.1° |
| H23 | C23 | C24 | H24 | 0.1° | 0.3° |
| C27 | C26 | H261 | H262 | 117.1° | 120.0° |
| C26 | C27 | C28 | C32 | 179.8° | 179.7° |
| C26 | C27 | C28 | C29 | 179.7° | 180.0° |
| C26 | C27 | C28 | H28 | 0.3° | 0.0° |
| C26 | C27 | C32 | C31 | 179.7° | 179.8° |
| C26 | C27 | C32 | H32 | 0.3° | 0.3° |
| H261 | C26 | C27 | C28 | 121.9° | 30.0° |
| H261 | C26 | C27 | C32 | 57.9° | 149.7° |
| H262 | C26 | C27 | C28 | 12.3° | 150.0° |
| H262 | C26 | C27 | C32 | 167.4° | 29.7° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C28 | C27 | C32 | C31 | 0.0° | 0.5° |
| C28 | C27 | C32 | H32 | 179.9° | 180.0° |
| C32 | C27 | C28 | C29 | 0.1° | 0.3° |
| C32 | C27 | C28 | H28 | 179.9° | 179.7° |
| C27 | C32 | C31 | C30 | 0.1° | 0.5° |
| C27 | C32 | C31 | H32 | 179.9° | 179.5° |
| C27 | C32 | C31 | H31 | 179.9° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.1° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| H28 | C28 | C29 | C30 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.2° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| H29 | C29 | C30 | C31 | 179.9° | 180.0° |
| H29 | C29 | C30 | H30 | 0.0° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.8° |
| C30 | C31 | C32 | H32 | 180.0° | 180.0° |
| H30 | C30 | C31 | C32 | 180.0° | 179.8° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
| H31 | C31 | C32 | H32 | 0.0° | 0.2° |
