ZR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | N4 | sing | 1.47Å | 1.49Å | |
| C21 | C15 | sing | 1.51Å | 1.51Å | |
| N4 | C19 | sing | 1.47Å | 1.52Å | |
| F3 | C16 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.51Å | 1.57Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | O1 | sing | 1.36Å | 1.38Å | |
| F1 | C22 | sing | 1.40Å | 1.36Å | |
| C22 | F2 | sing | 1.40Å | 1.36Å | |
| O1 | C10 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | doub | 1.34Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.46Å | 1.43Å | Aromatic |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| N3 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C12 | sing | 1.54Å | 1.52Å | |
| C1 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | O3 | sing | 1.43Å | 1.42Å | |
| N1 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | H21 | sing | 1.01Å | 1.00Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | N4 | 110.8° | 108.7° |
| C20 | C21 | C15 | 112.4° | 109.9° |
| C20 | C21 | H5 | 108.7° | 109.4° |
| C20 | C21 | H6 | 108.7° | 109.3° |
| C21 | C20 | H11 | 109.2° | 109.6° |
| C21 | C20 | H12 | 109.1° | 109.6° |
| C20 | N4 | C19 | 112.8° | 110.5° |
| N4 | C20 | H11 | 109.1° | 109.8° |
| N4 | C20 | H12 | 109.1° | 109.3° |
| C20 | N4 | H21 | 108.6° | 111.0° |
| C21 | C15 | C16 | 120.8° | 118.4° |
| C21 | C15 | C14 | 121.6° | 121.6° |
| C15 | C21 | H5 | 108.7° | 109.4° |
| C15 | C21 | H6 | 108.7° | 109.4° |
| N4 | C19 | C14 | 111.7° | 110.5° |
| N4 | C19 | H7 | 108.9° | 109.3° |
| N4 | C19 | H8 | 108.9° | 109.3° |
| C19 | N4 | H21 | 108.6° | 110.7° |
| F3 | C16 | C15 | 119.0° | 119.9° |
| F3 | C16 | C17 | 116.5° | 119.8° |
| C16 | C15 | C14 | 117.6° | 119.9° |
| C15 | C16 | C17 | 124.5° | 120.4° |
| C15 | C14 | C19 | 121.8° | 121.9° |
| C15 | C14 | C13 | 119.1° | 119.7° |
| C19 | C14 | C13 | 119.1° | 118.4° |
| C14 | C19 | H7 | 108.9° | 109.2° |
| C14 | C19 | H8 | 108.9° | 109.3° |
| C16 | C17 | C22 | 120.7° | 120.1° |
| C16 | C17 | C18 | 116.3° | 119.9° |
| C14 | C13 | C18 | 122.0° | 120.3° |
| C14 | C13 | O1 | 113.1° | 119.9° |
| C22 | C17 | C18 | 123.1° | 120.1° |
| C17 | C22 | F1 | 110.4° | 109.5° |
| C17 | C22 | F2 | 113.8° | 109.5° |
| C17 | C22 | H20 | 107.3° | 109.4° |
| C17 | C18 | C13 | 120.6° | 119.9° |
| C17 | C18 | H2 | 119.7° | 120.1° |
| C18 | C13 | O1 | 124.7° | 119.8° |
| C13 | C18 | H2 | 119.7° | 120.1° |
| C13 | O1 | C10 | 123.1° | 117.0° |
| F1 | C22 | F2 | 105.5° | 109.5° |
| F1 | C22 | H20 | 109.9° | 109.4° |
| F2 | C22 | H20 | 109.9° | 109.5° |
| O1 | C10 | C9 | 107.7° | 110.5° |
| O1 | C10 | C11 | 114.1° | 110.5° |
| O1 | C10 | H14 | 109.9° | 110.5° |
| C10 | C9 | C8 | 102.6° | 102.7° |
| C9 | C10 | C11 | 107.3° | 104.2° |
| C10 | C9 | H9 | 111.1° | 110.8° |
| C10 | C9 | H10 | 111.2° | 110.7° |
| C9 | C10 | H14 | 108.9° | 110.5° |
| C9 | C8 | N3 | 111.1° | 110.5° |
| C9 | C8 | C12 | 101.7° | 104.2° |
| C8 | C9 | H9 | 111.2° | 110.8° |
| C8 | C9 | H10 | 111.2° | 110.8° |
| C9 | C8 | H13 | 110.3° | 110.5° |
| C10 | C11 | C12 | 104.0° | 106.6° |
| C10 | C11 | O2 | 109.2° | 110.1° |
| C11 | C10 | H14 | 108.8° | 110.5° |
| C10 | C11 | H16 | 110.3° | 110.0° |
| C5 | C6 | N3 | 110.1° | 109.9° |
| C6 | C5 | C1 | 106.7° | 106.8° |
| C6 | C5 | H1 | 126.7° | 126.6° |
| C5 | C6 | H3 | 124.9° | 125.0° |
| C6 | N3 | C8 | 121.5° | 125.0° |
| C6 | N3 | C2 | 108.0° | 110.1° |
| N3 | C6 | H3 | 124.9° | 125.0° |
| C5 | C1 | C2 | 107.0° | 106.1° |
| C5 | C1 | C4 | 137.0° | 135.2° |
| C1 | C5 | H1 | 126.6° | 126.6° |
| C8 | N3 | C2 | 130.5° | 124.9° |
| N3 | C8 | C12 | 111.9° | 110.5° |
| N3 | C8 | H13 | 111.1° | 110.5° |
| N3 | C2 | C1 | 108.1° | 107.1° |
| N3 | C2 | N1 | 126.3° | 134.5° |
| C8 | C12 | C11 | 103.8° | 106.6° |
| C8 | C12 | O3 | 113.4° | 110.0° |
| C12 | C8 | H13 | 110.3° | 110.5° |
| C8 | C12 | H15 | 108.6° | 110.0° |
| C2 | C1 | C4 | 116.0° | 118.7° |
| C1 | C2 | N1 | 125.5° | 118.5° |
| C1 | C4 | C7 | 123.4° | 120.8° |
| C1 | C4 | N2 | 120.0° | 118.5° |
| C7 | C4 | N2 | 116.5° | 120.8° |
| C4 | C7 | H17 | 109.5° | 109.4° |
| C4 | C7 | H18 | 109.5° | 109.5° |
| C4 | C7 | H19 | 109.5° | 109.5° |
| C12 | C11 | O2 | 110.8° | 110.0° |
| C11 | C12 | O3 | 112.3° | 110.0° |
| C11 | C12 | H15 | 108.4° | 110.1° |
| C12 | C11 | H16 | 110.3° | 110.0° |
| O2 | C11 | H16 | 112.0° | 110.0° |
| C11 | O2 | H24 | 109.5° | 114.1° |
| C2 | N1 | C3 | 112.2° | 120.6° |
| C4 | N2 | C3 | 117.4° | 121.2° |
| O3 | C12 | H15 | 110.0° | 110.1° |
| C12 | O3 | H23 | 109.5° | 114.0° |
| N1 | C3 | N2 | 128.8° | 122.6° |
| N1 | C3 | H4 | 115.6° | 118.7° |
| N2 | C3 | H4 | 115.6° | 118.7° |
| H5 | C21 | H6 | 109.5° | 109.4° |
| H7 | C19 | H8 | 109.5° | 109.3° |
| H9 | C9 | H10 | 109.5° | 110.8° |
| H11 | C20 | H12 | 109.5° | 109.8° |
| H17 | C7 | H18 | 109.5° | 109.5° |
| H17 | C7 | H19 | 109.4° | 109.5° |
| H18 | C7 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | N4 | H11 | 120.2° | 119.9° |
| C21 | C20 | N4 | H12 | 120.2° | 119.6° |
| C20 | C21 | C15 | H5 | 120.4° | 120.1° |
| C20 | C21 | C15 | H6 | 120.4° | 120.1° |
| C21 | C20 | N4 | C19 | 62.6° | 70.9° |
| C20 | C21 | C15 | C16 | 162.7° | 163.1° |
| C20 | C21 | C15 | C14 | 19.6° | 16.9° |
| C20 | C21 | H5 | H6 | 118.6° | 119.8° |
| C21 | C20 | H11 | H12 | 119.4° | 120.4° |
| C21 | C20 | N4 | H21 | 57.9° | 52.2° |
| N4 | C20 | C21 | C15 | 47.3° | 50.2° |
| C20 | N4 | C19 | H21 | 120.5° | 123.4° |
| C20 | N4 | C19 | C14 | 45.9° | 52.3° |
| N4 | C20 | C21 | H5 | 167.8° | 69.9° |
| N4 | C20 | C21 | H6 | 73.1° | 170.3° |
| C20 | N4 | C19 | H7 | 166.2° | 67.8° |
| C20 | N4 | C19 | H8 | 74.5° | 172.6° |
| N4 | C20 | H11 | H12 | 119.4° | 120.2° |
| C21 | C15 | C16 | F3 | 5.8° | 0.2° |
| C21 | C15 | C16 | C14 | 177.9° | 180.0° |
| C21 | C15 | C14 | C19 | 4.6° | 0.7° |
| C21 | C15 | C16 | C17 | 175.2° | 179.6° |
| C21 | C15 | C14 | C13 | 175.7° | 179.4° |
| C15 | C21 | H5 | H6 | 118.7° | 119.8° |
| C15 | C21 | C20 | H11 | 167.5° | 170.2° |
| C15 | C21 | C20 | H12 | 72.9° | 69.3° |
| N4 | C19 | C14 | C15 | 17.0° | 17.6° |
| N4 | C19 | C14 | H7 | 120.3° | 120.2° |
| N4 | C19 | C14 | H8 | 120.3° | 120.3° |
| N4 | C19 | C14 | C13 | 163.3° | 162.5° |
| N4 | C19 | H7 | H8 | 119.0° | 119.5° |
| C19 | N4 | C20 | H11 | 177.2° | 169.2° |
| C19 | N4 | C20 | H12 | 57.6° | 48.7° |
| F3 | C16 | C15 | C17 | 179.0° | 179.8° |
| F3 | C16 | C15 | C14 | 176.4° | 179.8° |
| F3 | C16 | C17 | C22 | 2.0° | 0.2° |
| F3 | C16 | C17 | C18 | 178.4° | 179.8° |
| C16 | C15 | C14 | C19 | 177.5° | 179.3° |
| C16 | C15 | C14 | C13 | 2.2° | 0.5° |
| C15 | C16 | C17 | C22 | 179.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C16 | C15 | C21 | H5 | 42.2° | 76.8° |
| C16 | C15 | C21 | H6 | 76.9° | 43.0° |
| C15 | C14 | C19 | C13 | 179.7° | 179.8° |
| C14 | C15 | C16 | C17 | 2.6° | 0.4° |
| C15 | C14 | C13 | C18 | 0.1° | 0.3° |
| C15 | C14 | C13 | O1 | 175.6° | 179.8° |
| C14 | C15 | C21 | H5 | 140.0° | 103.2° |
| C14 | C15 | C21 | H6 | 100.9° | 137.0° |
| C15 | C14 | C19 | H7 | 137.3° | 102.5° |
| C15 | C14 | C19 | H8 | 103.3° | 137.9° |
| C19 | C14 | C13 | C18 | 179.8° | 179.6° |
| C19 | C14 | C13 | O1 | 4.1° | 0.4° |
| C14 | C19 | H7 | H8 | 119.0° | 119.5° |
| C14 | C19 | N4 | H21 | 74.7° | 71.0° |
| C16 | C17 | C22 | C18 | 179.6° | 179.9° |
| C16 | C17 | C18 | C13 | 1.8° | 0.3° |
| C16 | C17 | C22 | F1 | 40.7° | 29.9° |
| C16 | C17 | C22 | F2 | 159.1° | 149.9° |
| C16 | C17 | C18 | H2 | 178.2° | 179.9° |
| C16 | C17 | C22 | H20 | 79.1° | 90.0° |
| C14 | C13 | C18 | C17 | 2.2° | 0.2° |
| C14 | C13 | C18 | O1 | 175.3° | 179.9° |
| C14 | C13 | O1 | C10 | 177.0° | 174.5° |
| C14 | C13 | C18 | H2 | 177.8° | 179.9° |
| C13 | C14 | C19 | H7 | 43.0° | 77.3° |
| C13 | C14 | C19 | H8 | 76.4° | 42.3° |
| C22 | C17 | C18 | C13 | 178.6° | 179.7° |
| C17 | C22 | F1 | F2 | 123.4° | 120.0° |
| C17 | C22 | F1 | H20 | 118.2° | 119.9° |
| C17 | C22 | F2 | H20 | 120.3° | 120.0° |
| C22 | C17 | C18 | H2 | 1.4° | 0.0° |
| C17 | C18 | C13 | H2 | 180.0° | 179.7° |
| C17 | C18 | C13 | O1 | 173.1° | 179.7° |
| C18 | C17 | C22 | F1 | 139.7° | 150.0° |
| C18 | C17 | C22 | F2 | 21.3° | 30.0° |
| C18 | C17 | C22 | H20 | 100.5° | 90.0° |
| C18 | C13 | O1 | C10 | 7.4° | 5.6° |
| C13 | O1 | C10 | C9 | 136.4° | 155.0° |
| C13 | O1 | C10 | C11 | 104.5° | 90.3° |
| O1 | C13 | C18 | H2 | 6.9° | 0.0° |
| C13 | O1 | C10 | H14 | 18.0° | 32.4° |
| F1 | C22 | F2 | H20 | 118.5° | 120.0° |
| O1 | C10 | C9 | C11 | 123.3° | 118.7° |
| O1 | C10 | C9 | H14 | 119.2° | 122.6° |
| O1 | C10 | C9 | C8 | 149.0° | 156.6° |
| O1 | C10 | C11 | H14 | 123.1° | 122.6° |
| O1 | C10 | C11 | C12 | 118.2° | 142.3° |
| O1 | C10 | C11 | O2 | 123.5° | 98.4° |
| O1 | C10 | C9 | H9 | 92.1° | 38.3° |
| O1 | C10 | C9 | H10 | 30.1° | 85.1° |
| O1 | C10 | C11 | H16 | 0.1° | 23.0° |
| C10 | C9 | C8 | H9 | 118.9° | 118.3° |
| C10 | C9 | C8 | H10 | 118.9° | 118.3° |
| C9 | C10 | C11 | H14 | 117.6° | 118.7° |
| C10 | C9 | C8 | N3 | 161.8° | 156.6° |
| C10 | C9 | C8 | C12 | 42.5° | 38.0° |
| C9 | C10 | C11 | C12 | 1.0° | 23.6° |
| C9 | C10 | C11 | O2 | 117.3° | 142.9° |
| C10 | C9 | H9 | H10 | 123.2° | 123.3° |
| C10 | C9 | C8 | H13 | 74.5° | 80.8° |
| C9 | C10 | C11 | H16 | 119.3° | 95.7° |
| C8 | C9 | C10 | C11 | 25.8° | 37.9° |
| C9 | C8 | N3 | C6 | 56.5° | 58.6° |
| C9 | C8 | N3 | C12 | 112.9° | 114.8° |
| C9 | C8 | N3 | H13 | 123.3° | 122.6° |
| C9 | C8 | N3 | C2 | 119.1° | 121.7° |
| C9 | C8 | C12 | H13 | 117.0° | 118.7° |
| C9 | C8 | C12 | C11 | 43.9° | 23.7° |
| C9 | C8 | C12 | O3 | 166.1° | 142.9° |
| C8 | C9 | H9 | H10 | 123.2° | 123.3° |
| C8 | C9 | C10 | H14 | 91.8° | 80.7° |
| C9 | C8 | C12 | H15 | 71.3° | 95.7° |
| C10 | C11 | C12 | C8 | 27.6° | 0.0° |
| C10 | C11 | C12 | O2 | 117.2° | 119.4° |
| C10 | C11 | C12 | H16 | 118.3° | 119.3° |
| C10 | C11 | O2 | H16 | 122.4° | 121.4° |
| C10 | C11 | C12 | O3 | 150.5° | 119.3° |
| C11 | C10 | C9 | H9 | 144.7° | 80.4° |
| C11 | C10 | C9 | H10 | 93.1° | 156.3° |
| C10 | C11 | C12 | H15 | 87.7° | 119.3° |
| C10 | C11 | O2 | H24 | 180.0° | 180.0° |
| C5 | C6 | N3 | H3 | 180.0° | 179.9° |
| C6 | C5 | C1 | H1 | 180.0° | 179.8° |
| C5 | C6 | N3 | C8 | 176.4° | 180.0° |
| C5 | C6 | N3 | C2 | 0.1° | 0.2° |
| C6 | C5 | C1 | C2 | 0.8° | 0.2° |
| C6 | C5 | C1 | C4 | 176.6° | 179.8° |
| N3 | C6 | C5 | C1 | 0.5° | 0.0° |
| C6 | N3 | C8 | C2 | 175.6° | 179.7° |
| C6 | N3 | C8 | C12 | 56.4° | 56.2° |
| C6 | N3 | C2 | C1 | 0.4° | 0.4° |
| C6 | N3 | C2 | N1 | 178.8° | 179.9° |
| N3 | C6 | C5 | H1 | 179.5° | 179.8° |
| C6 | N3 | C8 | H13 | 179.8° | 178.8° |
| C5 | C1 | C2 | N3 | 0.7° | 0.4° |
| C5 | C1 | C2 | C4 | 178.0° | 180.0° |
| C5 | C1 | C4 | C7 | 7.1° | 0.0° |
| C5 | C1 | C2 | N1 | 179.1° | 180.0° |
| C5 | C1 | C4 | N2 | 176.4° | 180.0° |
| C1 | C5 | C6 | H3 | 179.4° | 179.9° |
| N3 | C8 | C12 | H13 | 124.3° | 122.6° |
| C8 | N3 | C2 | C1 | 176.5° | 179.9° |
| N3 | C8 | C12 | C11 | 162.6° | 142.3° |
| C8 | N3 | C2 | N1 | 5.1° | 0.4° |
| N3 | C8 | C12 | O3 | 75.2° | 98.5° |
| C8 | N3 | C6 | H3 | 3.6° | 0.1° |
| N3 | C8 | C9 | H9 | 79.4° | 38.3° |
| N3 | C8 | C9 | H10 | 42.8° | 85.1° |
| N3 | C8 | C12 | H15 | 47.4° | 22.9° |
| C2 | N3 | C8 | C12 | 128.0° | 123.5° |
| N3 | C2 | C1 | N1 | 178.4° | 179.6° |
| N3 | C2 | C1 | C4 | 177.3° | 179.6° |
| N3 | C2 | N1 | C3 | 176.6° | 179.5° |
| C2 | N3 | C6 | H3 | 179.9° | 179.7° |
| C2 | N3 | C8 | H13 | 4.1° | 0.9° |
| C8 | C12 | C11 | O3 | 122.9° | 119.2° |
| C8 | C12 | C11 | H15 | 115.4° | 119.3° |
| C8 | C12 | C11 | O2 | 89.6° | 119.3° |
| C8 | C12 | O3 | H15 | 121.8° | 121.4° |
| C12 | C8 | C9 | H9 | 161.4° | 80.4° |
| C12 | C8 | C9 | H10 | 76.4° | 156.3° |
| C8 | C12 | C11 | H16 | 145.9° | 119.3° |
| C8 | C12 | O3 | H23 | 180.0° | 180.0° |
| C2 | C1 | C4 | C7 | 175.7° | 180.0° |
| C2 | C1 | C4 | N2 | 0.8° | 0.1° |
| C1 | C2 | N1 | C3 | 1.5° | 0.0° |
| C2 | C1 | C5 | H1 | 179.2° | 180.0° |
| C1 | C4 | C7 | N2 | 176.6° | 179.9° |
| C4 | C1 | C2 | N1 | 1.1° | 0.0° |
| C1 | C4 | N2 | C3 | 2.1° | 0.1° |
| C4 | C1 | C5 | H1 | 3.4° | 0.0° |
| C1 | C4 | C7 | H17 | 176.7° | 90.1° |
| C1 | C4 | C7 | H18 | 56.7° | 149.9° |
| C1 | C4 | C7 | H19 | 63.4° | 29.9° |
| C7 | C4 | N2 | C3 | 174.7° | 180.0° |
| C4 | C7 | H17 | H18 | 120.0° | 120.0° |
| C4 | C7 | H17 | H19 | 120.0° | 120.0° |
| C4 | C7 | H18 | H19 | 120.0° | 120.0° |
| C12 | C11 | O2 | H16 | 123.6° | 121.4° |
| C11 | C12 | O3 | H15 | 120.8° | 121.5° |
| C11 | C12 | C8 | H13 | 73.1° | 95.1° |
| C12 | C11 | C10 | H14 | 118.7° | 95.1° |
| C11 | C12 | O3 | H23 | 62.6° | 62.9° |
| C12 | C11 | O2 | H24 | 66.0° | 62.8° |
| O2 | C11 | C12 | O3 | 33.4° | 0.1° |
| O2 | C11 | C10 | H14 | 0.4° | 24.2° |
| O2 | C11 | C12 | H15 | 155.1° | 121.4° |
| C2 | N1 | C3 | N2 | 0.1° | 0.0° |
| C2 | N1 | C3 | H4 | 179.9° | 179.9° |
| C4 | N2 | C3 | N1 | 1.7° | 0.0° |
| C4 | N2 | C3 | H4 | 178.3° | 179.9° |
| N2 | C4 | C7 | H17 | 0.0° | 90.0° |
| N2 | C4 | C7 | H18 | 120.0° | 30.0° |
| N2 | C4 | C7 | H19 | 120.0° | 150.0° |
| O3 | C12 | C8 | H13 | 49.1° | 24.2° |
| O3 | C12 | C11 | H16 | 91.2° | 121.5° |
| N1 | C3 | N2 | H4 | 180.0° | 180.0° |
| H1 | C5 | C6 | H3 | 0.5° | 0.3° |
| H5 | C21 | C20 | H11 | 72.0° | 50.1° |
| H5 | C21 | C20 | H12 | 47.6° | 170.6° |
| H6 | C21 | C20 | H11 | 47.1° | 69.7° |
| H6 | C21 | C20 | H12 | 166.7° | 50.8° |
| H7 | C19 | N4 | H21 | 45.6° | 168.8° |
| H8 | C19 | N4 | H21 | 165.0° | 49.3° |
| H9 | C9 | C8 | H13 | 44.4° | 160.9° |
| H9 | C9 | C10 | H14 | 27.1° | 160.9° |
| H10 | C9 | C8 | H13 | 166.6° | 37.5° |
| H10 | C9 | C10 | H14 | 149.3° | 37.6° |
| H11 | C20 | N4 | H21 | 62.3° | 67.6° |
| H12 | C20 | N4 | H21 | 178.1° | 171.9° |
| H13 | C8 | C12 | H15 | 171.7° | 145.6° |
| H14 | C10 | C11 | H16 | 123.0° | 145.7° |
| H15 | C12 | C11 | H16 | 30.5° | 0.0° |
| H15 | C12 | O3 | H23 | 58.2° | 58.6° |
| H16 | C11 | O2 | H24 | 57.6° | 58.6° |
| H17 | C7 | H18 | H19 | 120.0° | 120.0° |
