WFM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C9 | sing | 1.89Å | 1.90Å | |
| N | C10 | sing | 1.39Å | 1.34Å | |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| N1 | C11 | doub | 1.34Å | 1.37Å | Aromatic |
| C7 | C11 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.38Å | |
| O1 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| C3 | C13 | sing | 1.54Å | 1.53Å | |
| C2 | C1 | sing | 1.55Å | 1.54Å | |
| C13 | O2 | sing | 1.44Å | 1.44Å | |
| C13 | C | sing | 1.55Å | 1.53Å | |
| O2 | C14 | sing | 1.44Å | 1.42Å | |
| C20 | C19 | doub | 1.34Å | 1.35Å | Aromatic |
| C20 | N2 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.46Å | 1.43Å | Aromatic |
| C1 | C | sing | 1.55Å | 1.53Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| N2 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | C17 | sing | 1.38Å | 1.34Å | |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C21 | sing | 1.54Å | 1.53Å | |
| C | C21 | sing | 1.54Å | 1.54Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C17 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | O3 | sing | 1.43Å | 1.42Å | |
| N4 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C9 | C10 | 120.3° | 120.1° |
| BR | C9 | C8 | 118.9° | 120.1° |
| N | C10 | C9 | 122.8° | 119.2° |
| N | C10 | N1 | 116.8° | 119.3° |
| C10 | N | H7 | 109.5° | 120.0° |
| C10 | N | H8 | 109.5° | 120.0° |
| C10 | C9 | C8 | 120.7° | 119.9° |
| C9 | C10 | N1 | 120.4° | 121.5° |
| C9 | C8 | C7 | 120.1° | 118.4° |
| C9 | C8 | H3 | 120.0° | 120.8° |
| C10 | N1 | C11 | 118.7° | 121.3° |
| C8 | C7 | C11 | 117.7° | 119.1° |
| C8 | C7 | C6 | 123.4° | 121.1° |
| C7 | C8 | H3 | 120.0° | 120.8° |
| N1 | C11 | C7 | 122.1° | 119.9° |
| N1 | C11 | C12 | 118.4° | 120.9° |
| C11 | C7 | C6 | 118.8° | 119.8° |
| C7 | C11 | C12 | 119.4° | 119.2° |
| C7 | C6 | C5 | 120.6° | 119.8° |
| C7 | C6 | H2 | 119.7° | 120.1° |
| C11 | C12 | C4 | 119.3° | 119.6° |
| C11 | C12 | H9 | 120.3° | 120.2° |
| C6 | C5 | C4 | 120.0° | 120.8° |
| C6 | C5 | H1 | 120.0° | 119.6° |
| C5 | C6 | H2 | 119.7° | 120.1° |
| C12 | C4 | C5 | 121.4° | 120.8° |
| C12 | C4 | O1 | 125.0° | 119.6° |
| C4 | C12 | H9 | 120.3° | 120.2° |
| C5 | C4 | O1 | 113.6° | 119.6° |
| C4 | C5 | H1 | 120.0° | 119.6° |
| C4 | O1 | C3 | 120.4° | 117.0° |
| O1 | C3 | C2 | 111.7° | 110.0° |
| O1 | C3 | C13 | 109.2° | 110.0° |
| O1 | C3 | H10 | 111.0° | 110.0° |
| C2 | C3 | C13 | 104.9° | 106.8° |
| C3 | C2 | C1 | 105.3° | 104.2° |
| C2 | C3 | H10 | 110.0° | 110.0° |
| C3 | C2 | H11 | 110.5° | 110.5° |
| C3 | C2 | H12 | 110.5° | 110.5° |
| C3 | C13 | O2 | 112.2° | 108.7° |
| C3 | C13 | C | 110.8° | 106.4° |
| C3 | C13 | H4 | 108.8° | 112.6° |
| C13 | C3 | H10 | 109.9° | 110.0° |
| C2 | C1 | C | 107.2° | 102.9° |
| C1 | C2 | H11 | 110.5° | 110.5° |
| C1 | C2 | H12 | 110.5° | 110.5° |
| C2 | C1 | H13 | 110.0° | 110.7° |
| C2 | C1 | H14 | 110.1° | 110.7° |
| O2 | C13 | C | 106.2° | 104.8° |
| C13 | O2 | C14 | 109.8° | 105.7° |
| O2 | C13 | H4 | 110.0° | 111.9° |
| C13 | C | C1 | 102.3° | 104.2° |
| C13 | C | C21 | 104.6° | 104.2° |
| C13 | C | O | 111.1° | 112.9° |
| C | C13 | H4 | 108.8° | 112.0° |
| O2 | C14 | N2 | 107.7° | 110.3° |
| O2 | C14 | C21 | 105.7° | 104.8° |
| O2 | C14 | H15 | 110.2° | 110.4° |
| C19 | C20 | N2 | 110.3° | 109.9° |
| C20 | C19 | C18 | 106.8° | 106.8° |
| C19 | C20 | H5 | 124.8° | 125.1° |
| C20 | C19 | H18 | 126.6° | 126.6° |
| C20 | N2 | C14 | 124.7° | 125.0° |
| C20 | N2 | C15 | 107.8° | 110.0° |
| N2 | C20 | H5 | 124.9° | 125.1° |
| C19 | C18 | C17 | 136.9° | 135.1° |
| C19 | C18 | C15 | 107.0° | 106.1° |
| C18 | C19 | H18 | 126.6° | 126.6° |
| C1 | C | C21 | 116.3° | 108.8° |
| C1 | C | O | 106.7° | 112.7° |
| C | C1 | H13 | 110.1° | 110.7° |
| C | C1 | H14 | 110.1° | 110.7° |
| C14 | N2 | C15 | 127.4° | 125.0° |
| N2 | C14 | C21 | 115.0° | 110.4° |
| N2 | C14 | H15 | 109.5° | 110.4° |
| N2 | C15 | C18 | 108.0° | 107.2° |
| N2 | C15 | N3 | 126.3° | 134.3° |
| N5 | C17 | C18 | 122.6° | 120.9° |
| N5 | C17 | N4 | 118.4° | 120.8° |
| C17 | N5 | H19 | 109.5° | 120.0° |
| C17 | N5 | H20 | 109.5° | 119.9° |
| C17 | C18 | C15 | 115.9° | 118.7° |
| C18 | C17 | N4 | 119.1° | 118.3° |
| C18 | C15 | N3 | 125.6° | 118.5° |
| C14 | C21 | C | 100.3° | 104.1° |
| C14 | C21 | O3 | 113.7° | 110.5° |
| C14 | C21 | H6 | 108.9° | 110.5° |
| C21 | C14 | H15 | 108.7° | 110.4° |
| C21 | C | O | 115.1° | 113.3° |
| C | C21 | O3 | 114.1° | 110.5° |
| C | C21 | H6 | 108.8° | 110.6° |
| C | O | H17 | 109.5° | 114.0° |
| C17 | N4 | C16 | 118.4° | 121.1° |
| C15 | N3 | C16 | 112.4° | 120.7° |
| O3 | C21 | H6 | 110.4° | 110.5° |
| C21 | O3 | H16 | 109.5° | 114.0° |
| N4 | C16 | N3 | 128.4° | 122.7° |
| N4 | C16 | H21 | 115.8° | 118.7° |
| N3 | C16 | H21 | 115.8° | 118.6° |
| H7 | N | H8 | 109.4° | 120.1° |
| H11 | C2 | H12 | 109.5° | 110.5° |
| H13 | C1 | H14 | 109.4° | 110.8° |
| H19 | N5 | H20 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C9 | C10 | N | 2.2° | 0.0° |
| BR | C9 | C10 | C8 | 176.6° | 180.0° |
| BR | C9 | C10 | N1 | 179.5° | 180.0° |
| BR | C9 | C8 | C7 | 177.0° | 180.0° |
| BR | C9 | C8 | H3 | 3.0° | 0.0° |
| N | C10 | C9 | N1 | 178.3° | 180.0° |
| N | C10 | C9 | C8 | 178.8° | 180.0° |
| N | C10 | N1 | C11 | 175.6° | 180.0° |
| C10 | N | H7 | H8 | 120.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C10 | N1 | C11 | 5.9° | 0.0° |
| C10 | C9 | C8 | H3 | 179.6° | 180.0° |
| C9 | C10 | N | H7 | 178.3° | 180.0° |
| C9 | C10 | N | H8 | 58.4° | 0.0° |
| C8 | C9 | C10 | N1 | 2.9° | 0.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 1.0° | 0.0° |
| C9 | C8 | C7 | C6 | 180.0° | 180.0° |
| C10 | N1 | C11 | C7 | 6.8° | 0.0° |
| C10 | N1 | C11 | C12 | 175.0° | 179.9° |
| N1 | C10 | N | H7 | 0.0° | 0.0° |
| N1 | C10 | N | H8 | 120.0° | 180.0° |
| C8 | C7 | C11 | N1 | 4.3° | 0.0° |
| C8 | C7 | C11 | C6 | 179.1° | 180.0° |
| C8 | C7 | C11 | C12 | 177.5° | 180.0° |
| C8 | C7 | C6 | C5 | 172.9° | 180.0° |
| C8 | C7 | C6 | H2 | 7.1° | 0.0° |
| N1 | C11 | C7 | C12 | 178.2° | 180.0° |
| N1 | C11 | C7 | C6 | 176.6° | 180.0° |
| N1 | C11 | C12 | C4 | 179.1° | 179.9° |
| N1 | C11 | C12 | H9 | 0.9° | 0.0° |
| C11 | C7 | C6 | C5 | 6.1° | 0.1° |
| C7 | C11 | C12 | C4 | 2.7° | 0.0° |
| C11 | C7 | C6 | H2 | 173.9° | 180.0° |
| C11 | C7 | C8 | H3 | 179.0° | 180.0° |
| C7 | C11 | C12 | H9 | 177.3° | 179.9° |
| C6 | C7 | C11 | C12 | 1.5° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 6.3° | 0.0° |
| C7 | C6 | C5 | H1 | 173.7° | 180.0° |
| C6 | C7 | C8 | H3 | 0.1° | 0.0° |
| C11 | C12 | C4 | H9 | 180.0° | 179.9° |
| C11 | C12 | C4 | C5 | 2.5° | 0.1° |
| C11 | C12 | C4 | O1 | 179.0° | 180.0° |
| C6 | C5 | C4 | C12 | 2.0° | 0.1° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | O1 | 174.8° | 180.0° |
| C12 | C4 | C5 | O1 | 176.8° | 180.0° |
| C12 | C4 | O1 | C3 | 32.6° | 174.8° |
| C12 | C4 | C5 | H1 | 178.0° | 180.0° |
| C5 | C4 | O1 | C3 | 150.7° | 5.3° |
| C4 | C5 | C6 | H2 | 173.7° | 180.0° |
| C5 | C4 | C12 | H9 | 177.5° | 180.0° |
| C4 | O1 | C3 | C2 | 39.7° | 84.3° |
| C4 | O1 | C3 | C13 | 155.3° | 158.4° |
| O1 | C4 | C5 | H1 | 5.1° | 0.0° |
| O1 | C4 | C12 | H9 | 1.0° | 0.1° |
| C4 | O1 | C3 | H10 | 83.4° | 37.1° |
| O1 | C3 | C2 | C13 | 118.1° | 119.4° |
| O1 | C3 | C2 | H10 | 123.8° | 121.3° |
| O1 | C3 | C13 | H10 | 122.0° | 121.3° |
| O1 | C3 | C2 | C1 | 97.5° | 143.3° |
| O1 | C3 | C13 | O2 | 124.7° | 127.7° |
| O1 | C3 | C13 | C | 116.8° | 119.9° |
| O1 | C3 | C13 | H4 | 2.7° | 3.1° |
| O1 | C3 | C2 | H11 | 143.1° | 98.0° |
| O1 | C3 | C2 | H12 | 21.8° | 24.6° |
| C2 | C3 | C13 | H10 | 118.1° | 119.3° |
| C3 | C2 | C1 | H11 | 119.3° | 118.7° |
| C3 | C2 | C1 | H12 | 119.3° | 118.7° |
| C2 | C3 | C13 | O2 | 115.5° | 113.0° |
| C2 | C3 | C13 | C | 3.0° | 0.5° |
| C3 | C2 | C1 | C | 31.5° | 38.1° |
| C2 | C3 | C13 | H4 | 122.6° | 122.4° |
| C3 | C2 | H11 | H12 | 121.9° | 122.6° |
| C3 | C2 | C1 | H13 | 151.2° | 80.3° |
| C3 | C2 | C1 | H14 | 88.2° | 156.4° |
| C13 | C3 | C2 | C1 | 20.6° | 24.0° |
| C3 | C13 | O2 | C | 121.2° | 113.4° |
| C3 | C13 | O2 | H4 | 121.2° | 125.0° |
| C3 | C13 | C | H4 | 119.5° | 123.3° |
| C3 | C13 | O2 | C14 | 128.7° | 152.5° |
| C3 | C13 | C | C1 | 15.7° | 23.1° |
| C3 | C13 | C | C21 | 106.0° | 137.1° |
| C3 | C13 | C | O | 129.2° | 99.6° |
| C13 | C3 | C2 | H11 | 98.7° | 142.7° |
| C13 | C3 | C2 | H12 | 139.9° | 94.8° |
| C2 | C1 | C | C13 | 28.5° | 37.7° |
| C2 | C1 | C | H13 | 119.6° | 118.4° |
| C2 | C1 | C | H14 | 119.7° | 118.3° |
| C2 | C1 | C | C21 | 84.8° | 148.3° |
| C2 | C1 | C | O | 145.3° | 85.1° |
| C1 | C2 | C3 | H10 | 138.7° | 95.3° |
| C1 | C2 | H11 | H12 | 121.9° | 122.6° |
| C2 | C1 | H13 | H14 | 121.0° | 123.3° |
| O2 | C13 | C | H4 | 118.4° | 121.6° |
| O2 | C13 | C | C1 | 137.8° | 92.0° |
| C13 | O2 | C14 | N2 | 151.7° | 159.2° |
| C13 | O2 | C14 | C21 | 28.4° | 40.4° |
| O2 | C13 | C | C21 | 16.1° | 22.0° |
| O2 | C13 | C | O | 108.7° | 145.3° |
| O2 | C13 | C3 | H10 | 2.6° | 6.3° |
| C13 | O2 | C14 | H15 | 88.9° | 78.5° |
| C | C13 | O2 | C14 | 7.5° | 39.1° |
| C13 | C | C1 | C21 | 113.3° | 110.7° |
| C13 | C | C1 | O | 116.8° | 122.8° |
| C13 | C | C21 | C14 | 31.2° | 1.7° |
| C13 | C | C21 | O | 122.2° | 123.1° |
| C13 | C | C21 | O3 | 153.1° | 120.4° |
| C13 | C | C21 | H6 | 83.0° | 117.0° |
| C | C13 | C3 | H10 | 121.2° | 118.7° |
| C13 | C | C1 | H13 | 148.2° | 80.7° |
| C13 | C | C1 | H14 | 91.1° | 156.0° |
| C13 | C | O | H17 | 180.0° | 180.0° |
| O2 | C14 | N2 | C20 | 63.8° | 23.5° |
| O2 | C14 | N2 | C21 | 117.5° | 115.4° |
| O2 | C14 | N2 | H15 | 119.8° | 122.3° |
| O2 | C14 | N2 | C15 | 113.6° | 156.4° |
| O2 | C14 | C21 | H15 | 118.3° | 118.9° |
| O2 | C14 | C21 | C | 36.4° | 24.9° |
| O2 | C14 | C21 | O3 | 158.7° | 143.6° |
| C14 | O2 | C13 | H4 | 110.1° | 82.5° |
| O2 | C14 | C21 | H6 | 77.7° | 93.9° |
| C19 | C20 | N2 | H5 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C20 | N2 | C14 | 179.6° | 180.0° |
| C19 | C20 | N2 | C15 | 1.8° | 0.1° |
| C20 | C19 | C18 | C17 | 175.5° | 180.0° |
| C20 | C19 | C18 | C15 | 1.8° | 0.1° |
| N2 | C20 | C19 | C18 | 0.0° | 0.1° |
| C20 | N2 | C14 | C15 | 177.4° | 179.9° |
| C20 | N2 | C15 | C18 | 2.9° | 0.0° |
| C20 | N2 | C14 | C21 | 53.8° | 91.9° |
| C20 | N2 | C15 | N3 | 179.9° | 180.0° |
| C20 | N2 | C14 | H15 | 176.4° | 145.8° |
| N2 | C20 | C19 | H18 | 180.0° | 180.0° |
| C19 | C18 | C15 | N2 | 2.9° | 0.0° |
| C19 | C18 | C17 | N5 | 3.5° | 0.1° |
| C19 | C18 | C17 | C15 | 173.4° | 179.9° |
| C19 | C18 | C17 | N4 | 176.1° | 179.9° |
| C19 | C18 | C15 | N3 | 179.9° | 179.9° |
| C18 | C19 | C20 | H5 | 180.0° | 180.0° |
| C1 | C | C21 | C14 | 143.2° | 112.4° |
| C1 | C | C21 | O | 125.8° | 126.2° |
| C1 | C | C21 | O3 | 94.9° | 129.0° |
| C1 | C | C13 | H4 | 103.9° | 146.4° |
| C1 | C | C21 | H6 | 29.0° | 6.3° |
| C | C1 | C2 | H11 | 87.8° | 156.8° |
| C | C1 | C2 | H12 | 150.8° | 80.6° |
| C | C1 | H13 | H14 | 121.1° | 123.2° |
| C1 | C | O | H17 | 69.2° | 62.3° |
| C14 | N2 | C15 | C18 | 179.4° | 180.0° |
| N2 | C14 | C21 | H15 | 123.1° | 122.3° |
| N2 | C14 | C21 | C | 155.0° | 143.7° |
| C14 | N2 | C15 | N3 | 2.2° | 0.1° |
| N2 | C14 | C21 | O3 | 82.7° | 97.6° |
| C14 | N2 | C20 | H5 | 0.4° | 0.0° |
| N2 | C14 | C21 | H6 | 40.9° | 24.9° |
| N2 | C15 | C18 | C17 | 178.1° | 180.0° |
| N2 | C15 | C18 | N3 | 177.2° | 180.0° |
| C15 | N2 | C14 | C21 | 128.9° | 88.2° |
| N2 | C15 | N3 | C16 | 179.0° | 180.0° |
| C15 | N2 | C20 | H5 | 178.2° | 180.0° |
| C15 | N2 | C14 | H15 | 6.2° | 34.1° |
| N5 | C17 | C18 | N4 | 179.6° | 180.0° |
| N5 | C17 | C18 | C15 | 176.9° | 180.0° |
| N5 | C17 | N4 | C16 | 178.6° | 180.0° |
| C17 | N5 | H19 | H20 | 120.0° | 180.0° |
| C17 | C18 | C15 | N3 | 4.6° | 0.0° |
| C18 | C17 | N4 | C16 | 1.1° | 0.0° |
| C17 | C18 | C19 | H18 | 4.4° | 0.1° |
| C18 | C17 | N5 | H19 | 179.6° | 180.0° |
| C18 | C17 | N5 | H20 | 59.6° | 0.0° |
| C15 | C18 | C17 | N4 | 2.7° | 0.0° |
| C18 | C15 | N3 | C16 | 4.3° | 0.0° |
| C15 | C18 | C19 | H18 | 178.2° | 180.0° |
| C14 | C21 | C | O3 | 121.9° | 118.7° |
| C14 | C21 | C | H6 | 114.2° | 118.7° |
| C14 | C21 | C | O | 91.0° | 121.4° |
| C14 | C21 | O3 | H6 | 122.8° | 122.6° |
| C14 | C21 | O3 | H16 | 180.0° | 63.3° |
| C | C21 | O3 | H6 | 123.0° | 122.7° |
| C21 | C | C13 | H4 | 134.4° | 99.6° |
| C21 | C | C1 | H13 | 34.9° | 30.0° |
| C21 | C | C1 | H14 | 155.6° | 93.3° |
| C | C21 | C14 | H15 | 81.8° | 93.9° |
| C | C21 | O3 | H16 | 65.7° | 178.0° |
| C21 | C | O | H17 | 61.4° | 61.8° |
| O | C | C21 | O3 | 30.9° | 2.7° |
| O | C | C13 | H4 | 9.7° | 23.8° |
| O | C | C21 | H6 | 154.8° | 119.9° |
| O | C | C1 | H13 | 95.0° | 156.5° |
| O | C | C1 | H14 | 25.7° | 33.2° |
| C17 | N4 | C16 | N3 | 0.9° | 0.0° |
| N4 | C17 | N5 | H19 | 0.0° | 0.0° |
| N4 | C17 | N5 | H20 | 120.0° | 180.0° |
| C17 | N4 | C16 | H21 | 179.1° | 180.0° |
| C15 | N3 | C16 | N4 | 2.3° | 0.0° |
| C15 | N3 | C16 | H21 | 177.7° | 180.0° |
| O3 | C21 | C14 | H15 | 40.4° | 24.7° |
| N4 | C16 | N3 | H21 | 180.0° | 180.0° |
| H1 | C5 | C6 | H2 | 6.3° | 0.0° |
| H4 | C13 | C3 | H10 | 119.3° | 118.3° |
| H5 | C20 | C19 | H18 | 0.0° | 0.0° |
| H6 | C21 | C14 | H15 | 164.1° | 147.3° |
| H6 | C21 | O3 | H16 | 57.2° | 59.3° |
| H10 | C3 | C2 | H11 | 19.4° | 23.4° |
| H10 | C3 | C2 | H12 | 102.0° | 146.0° |
| H11 | C2 | C1 | H13 | 31.8° | 38.4° |
| H11 | C2 | C1 | H14 | 152.5° | 84.9° |
| H12 | C2 | C1 | H13 | 89.5° | 161.0° |
| H12 | C2 | C1 | H14 | 31.2° | 37.7° |
