J7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.48Å | |
| C10 | C9 | sing | 1.55Å | 1.69Å | |
| C10 | C11 | sing | 1.53Å | 1.22Å | |
| C9 | N3 | sing | 1.49Å | 1.34Å | |
| O3 | N2 | sing | 1.22Å | 1.39Å | |
| C20 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| O5 | C19 | sing | 1.36Å | 1.40Å | |
| C21 | C22 | sing | 1.40Å | 1.44Å | Aromatic |
| C23 | C24 | sing | 1.55Å | 1.53Å | |
| C23 | N4 | sing | 1.48Å | 1.32Å | |
| C19 | C18 | doub | 1.37Å | 1.40Å | Aromatic |
| C24 | C11 | sing | 1.53Å | 1.57Å | |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| C11 | C31 | sing | 1.53Å | 1.65Å | |
| C11 | C12 | sing | 1.53Å | 1.29Å | |
| N1 | C2 | sing | 1.35Å | 1.49Å | |
| N3 | C8 | sing | 1.39Å | 1.49Å | |
| N3 | C31 | sing | 1.49Å | 1.51Å | |
| N2 | C7 | sing | 1.48Å | 1.42Å | |
| N2 | O2 | doub | 1.22Å | 1.20Å | |
| N4 | C12 | sing | 1.48Å | 1.63Å | |
| N4 | C13 | sing | 1.35Å | 1.46Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | C13 | doub | 1.22Å | 1.20Å | |
| C2 | C3 | sing | 1.47Å | 1.50Å | |
| C2 | O1 | doub | 1.22Å | 1.15Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.54Å | |
| C22 | C14 | doub | 1.46Å | 1.43Å | Aromatic |
| C22 | C17 | sing | 1.42Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | BR1 | sing | 1.89Å | 1.90Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.44Å | Aromatic |
| C15 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | N5 | sing | 1.31Å | 1.31Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H11 | 120.0° | 120.0° |
| C28 | C27 | H21 | 120.0° | 120.0° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C27 | C26 | H10 | 120.0° | 120.0° |
| C26 | C27 | H21 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C29 | C28 | H11 | 120.0° | 120.0° |
| C28 | C29 | H22 | 119.9° | 120.0° |
| C26 | C25 | C30 | 119.5° | 120.0° |
| C26 | C25 | C24 | 122.7° | 120.0° |
| C25 | C26 | H10 | 119.9° | 120.0° |
| C29 | C30 | C25 | 120.2° | 120.0° |
| C30 | C29 | H22 | 119.9° | 120.0° |
| C29 | C30 | H23 | 119.9° | 120.0° |
| C30 | C25 | C24 | 117.7° | 120.0° |
| C25 | C30 | H23 | 119.9° | 120.0° |
| C25 | C24 | C23 | 111.9° | 110.5° |
| C25 | C24 | C11 | 115.1° | 110.4° |
| C25 | C24 | H9 | 110.0° | 110.4° |
| C9 | C10 | C11 | 105.3° | 104.7° |
| C10 | C9 | N3 | 106.2° | 104.7° |
| C9 | C10 | H4 | 110.5° | 110.4° |
| C9 | C10 | H5 | 110.5° | 110.4° |
| C10 | C9 | H26 | 110.3° | 110.4° |
| C10 | C9 | H27 | 110.3° | 110.4° |
| C10 | C11 | C24 | 111.0° | 111.3° |
| C10 | C11 | C31 | 107.2° | 106.1° |
| C10 | C11 | C12 | 110.9° | 111.2° |
| C11 | C10 | H4 | 110.5° | 110.4° |
| C11 | C10 | H5 | 110.5° | 110.4° |
| C9 | N3 | C8 | 123.0° | 111.0° |
| C9 | N3 | C31 | 107.7° | 104.3° |
| N3 | C9 | H26 | 110.2° | 110.4° |
| N3 | C9 | H27 | 110.3° | 110.4° |
| O3 | N2 | C7 | 118.8° | 120.0° |
| O3 | N2 | O2 | 121.9° | 120.0° |
| C21 | C20 | C19 | 119.3° | 120.9° |
| C20 | C21 | C22 | 119.4° | 119.5° |
| C21 | C20 | H7 | 120.4° | 119.5° |
| C20 | C21 | H8 | 120.3° | 120.3° |
| C20 | C19 | O5 | 119.1° | 119.5° |
| C20 | C19 | C18 | 121.3° | 121.0° |
| C19 | C20 | H7 | 120.4° | 119.6° |
| O5 | C19 | C18 | 119.5° | 119.5° |
| C19 | O5 | H28 | 109.5° | 113.9° |
| C21 | C22 | C14 | 121.6° | 122.4° |
| C21 | C22 | C17 | 120.6° | 119.9° |
| C22 | C21 | H8 | 120.3° | 120.2° |
| C24 | C23 | N4 | 103.7° | 104.7° |
| C23 | C24 | C11 | 101.3° | 104.6° |
| C23 | C24 | H9 | 109.3° | 110.4° |
| C24 | C23 | H19 | 110.9° | 110.4° |
| C24 | C23 | H20 | 110.9° | 110.4° |
| C23 | N4 | C12 | 109.8° | 104.5° |
| C23 | N4 | C13 | 124.1° | 127.8° |
| N4 | C23 | H19 | 110.9° | 110.4° |
| N4 | C23 | H20 | 110.9° | 110.5° |
| C19 | C18 | C17 | 119.0° | 119.4° |
| C19 | C18 | H18 | 120.5° | 120.3° |
| C24 | C11 | C31 | 112.9° | 111.2° |
| C24 | C11 | C12 | 106.0° | 106.0° |
| C11 | C24 | H9 | 108.8° | 110.4° |
| C1 | N1 | C2 | 120.4° | 120.0° |
| C1 | N1 | H1 | 119.8° | 120.0° |
| N1 | C1 | H12 | 109.5° | 109.4° |
| N1 | C1 | H13 | 109.5° | 109.5° |
| N1 | C1 | H14 | 109.5° | 109.5° |
| C31 | C11 | C12 | 108.8° | 111.1° |
| C11 | C31 | N3 | 98.8° | 104.4° |
| C11 | C31 | H24 | 112.1° | 110.4° |
| C11 | C31 | H25 | 112.1° | 110.5° |
| C11 | C12 | N4 | 104.2° | 104.4° |
| C11 | C12 | H15 | 110.8° | 110.5° |
| C11 | C12 | H16 | 110.8° | 110.5° |
| N1 | C2 | C3 | 118.5° | 120.0° |
| N1 | C2 | O1 | 121.9° | 120.0° |
| C2 | N1 | H1 | 119.8° | 120.0° |
| C8 | N3 | C31 | 128.3° | 111.0° |
| N3 | C8 | C7 | 121.0° | 120.2° |
| N3 | C8 | C3 | 117.3° | 120.2° |
| N3 | C31 | H24 | 112.1° | 110.4° |
| N3 | C31 | H25 | 112.1° | 110.5° |
| C7 | N2 | O2 | 119.3° | 120.0° |
| N2 | C7 | C8 | 123.7° | 119.9° |
| N2 | C7 | C6 | 116.8° | 120.0° |
| C12 | N4 | C13 | 126.1° | 127.7° |
| N4 | C12 | H15 | 110.8° | 110.4° |
| N4 | C12 | H16 | 110.8° | 110.5° |
| N4 | C13 | O4 | 117.6° | 120.0° |
| N4 | C13 | C14 | 122.8° | 120.0° |
| C7 | C8 | C3 | 121.6° | 119.7° |
| C8 | C7 | C6 | 119.5° | 120.1° |
| C8 | C3 | C2 | 122.4° | 120.2° |
| C8 | C3 | C4 | 119.0° | 119.6° |
| C7 | C6 | C5 | 117.1° | 120.4° |
| C7 | C6 | H3 | 121.4° | 119.8° |
| O4 | C13 | C14 | 119.6° | 120.0° |
| C3 | C2 | O1 | 119.6° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.2° |
| C3 | C4 | C5 | 117.7° | 119.9° |
| C3 | C4 | H2 | 121.1° | 120.0° |
| C6 | C5 | C4 | 125.0° | 120.3° |
| C6 | C5 | BR1 | 117.7° | 119.9° |
| C5 | C6 | H3 | 121.5° | 119.8° |
| C13 | C14 | C22 | 119.9° | 121.1° |
| C13 | C14 | C15 | 119.2° | 121.2° |
| C14 | C22 | C17 | 117.8° | 117.7° |
| C22 | C14 | C15 | 120.9° | 117.7° |
| C22 | C17 | C18 | 120.4° | 119.3° |
| C22 | C17 | C16 | 118.2° | 118.6° |
| C18 | C17 | C16 | 121.3° | 122.1° |
| C17 | C18 | H18 | 120.5° | 120.3° |
| C4 | C5 | BR1 | 117.3° | 119.8° |
| C5 | C4 | H2 | 121.2° | 120.1° |
| C14 | C15 | N5 | 119.1° | 121.3° |
| C14 | C15 | H6 | 120.4° | 119.4° |
| C17 | C16 | N5 | 121.5° | 120.9° |
| C17 | C16 | H17 | 119.3° | 119.5° |
| C15 | N5 | C16 | 122.5° | 123.7° |
| N5 | C15 | H6 | 120.5° | 119.3° |
| N5 | C16 | H17 | 119.3° | 119.5° |
| H4 | C10 | H5 | 109.4° | 110.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 110.4° |
| H19 | C23 | H20 | 109.4° | 110.4° |
| H24 | C31 | H25 | 109.5° | 110.5° |
| H26 | C9 | H27 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C27 | C28 | C29 | H11 | 180.0° | 179.3° |
| C28 | C27 | C26 | C25 | 0.9° | 0.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.8° |
| C28 | C27 | C26 | H10 | 179.1° | 179.7° |
| C27 | C28 | C29 | H22 | 179.9° | 179.2° |
| C26 | C27 | C28 | C29 | 0.1° | 0.5° |
| C27 | C26 | C25 | H10 | 180.0° | 179.7° |
| C27 | C26 | C25 | C30 | 1.9° | 0.3° |
| C27 | C26 | C25 | C24 | 178.8° | 179.7° |
| C26 | C27 | C28 | H11 | 179.9° | 179.8° |
| C28 | C29 | C30 | H22 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 1.1° | 0.5° |
| C29 | C28 | C27 | H21 | 179.9° | 179.4° |
| C28 | C29 | C30 | H23 | 178.9° | 179.5° |
| C26 | C25 | C30 | C29 | 1.9° | NaN° |
| C26 | C25 | C30 | C24 | 177.1° | 180.0° |
| C26 | C25 | C24 | C23 | 23.3° | 131.9° |
| C26 | C25 | C24 | C11 | 91.6° | 112.9° |
| C26 | C25 | C24 | H9 | 145.0° | 9.5° |
| C25 | C26 | C27 | H21 | 179.1° | 179.9° |
| C26 | C25 | C30 | H23 | 178.1° | 179.9° |
| C29 | C30 | C25 | H23 | 180.0° | 179.9° |
| C29 | C30 | C25 | C24 | 179.0° | 180.0° |
| C30 | C29 | C28 | H11 | 179.9° | 180.0° |
| C30 | C25 | C24 | C23 | 153.7° | 48.1° |
| C30 | C25 | C24 | C11 | 91.4° | 67.1° |
| C30 | C25 | C24 | H9 | 32.0° | 170.5° |
| C30 | C25 | C26 | H10 | 178.2° | 180.0° |
| C25 | C30 | C29 | H22 | 178.9° | 179.5° |
| C25 | C24 | C11 | C10 | 39.5° | 1.9° |
| C25 | C24 | C23 | C11 | 123.1° | 118.8° |
| C25 | C24 | C23 | H9 | 122.1° | 122.4° |
| C25 | C24 | C23 | N4 | 156.7° | 142.5° |
| C25 | C24 | C11 | H9 | 124.0° | 122.3° |
| C25 | C24 | C11 | C31 | 80.9° | 119.9° |
| C25 | C24 | C11 | C12 | 160.0° | 119.2° |
| C24 | C25 | C26 | H10 | 1.2° | 0.0° |
| C25 | C24 | C23 | H19 | 84.2° | 98.7° |
| C25 | C24 | C23 | H20 | 37.6° | 23.7° |
| C24 | C25 | C30 | H23 | 1.0° | 0.1° |
| C9 | C10 | C11 | H4 | 119.3° | 118.7° |
| C9 | C10 | C11 | H5 | 119.4° | 118.9° |
| C10 | C9 | N3 | H26 | 119.5° | 118.8° |
| C10 | C9 | N3 | H27 | 119.5° | 118.9° |
| C9 | C10 | C11 | C24 | 153.3° | 120.8° |
| C9 | C10 | C11 | C31 | 29.5° | 0.2° |
| C9 | C10 | C11 | C12 | 89.1° | 121.2° |
| C10 | C9 | N3 | C8 | 174.3° | 158.5° |
| C10 | C9 | N3 | C31 | 16.7° | 38.9° |
| C9 | C10 | H4 | H5 | 121.9° | 122.4° |
| C10 | C9 | H26 | H27 | 121.5° | 122.4° |
| C11 | C10 | C9 | N3 | 10.1° | 23.7° |
| C10 | C11 | C24 | C23 | 81.4° | 120.8° |
| C10 | C11 | C24 | C31 | 120.4° | 118.0° |
| C10 | C11 | C24 | C12 | 120.5° | 121.1° |
| C10 | C11 | C31 | C12 | 120.0° | 121.0° |
| C10 | C11 | C31 | N3 | 39.6° | 23.2° |
| C10 | C11 | C12 | N4 | 93.4° | 144.3° |
| C11 | C10 | H4 | H5 | 121.9° | 122.4° |
| C10 | C11 | C24 | H9 | 163.5° | 120.4° |
| C10 | C11 | C12 | H15 | 25.8° | 25.6° |
| C10 | C11 | C12 | H16 | 147.5° | 96.9° |
| C10 | C11 | C31 | H24 | 78.6° | 141.9° |
| C10 | C11 | C31 | H25 | 157.8° | 95.6° |
| C11 | C10 | C9 | H26 | 109.4° | 95.2° |
| C11 | C10 | C9 | H27 | 129.6° | 142.5° |
| C9 | N3 | C31 | C11 | 31.2° | 38.6° |
| C9 | N3 | C8 | C31 | 166.7° | 115.6° |
| C9 | N3 | C8 | C7 | 106.7° | 125.5° |
| C9 | N3 | C8 | C3 | 71.2° | 54.7° |
| N3 | C9 | C10 | H4 | 109.2° | 95.1° |
| N3 | C9 | C10 | H5 | 129.5° | 142.5° |
| C9 | N3 | C31 | H24 | 87.0° | 157.3° |
| C9 | N3 | C31 | H25 | 149.4° | 80.2° |
| N3 | C9 | H26 | H27 | 121.5° | 122.4° |
| O3 | N2 | C7 | O2 | 176.9° | 180.0° |
| O3 | N2 | C7 | C8 | 41.2° | 5.0° |
| O3 | N2 | C7 | C6 | 138.2° | 174.9° |
| C21 | C20 | C19 | H7 | 180.0° | 179.9° |
| C21 | C20 | C19 | O5 | 179.7° | 180.0° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.5° | 0.4° |
| C20 | C21 | C22 | C14 | 179.5° | 179.9° |
| C20 | C21 | C22 | C17 | 0.7° | 0.0° |
| C20 | C19 | O5 | C18 | 179.2° | 179.7° |
| C19 | C20 | C21 | C22 | 0.6° | 0.1° |
| C20 | C19 | C18 | C17 | 0.6° | 0.6° |
| C19 | C20 | C21 | H8 | 179.5° | 179.9° |
| C20 | C19 | C18 | H18 | 179.4° | 179.5° |
| C20 | C19 | O5 | H28 | 180.0° | 90.0° |
| O5 | C19 | C18 | C17 | 179.7° | 179.8° |
| O5 | C19 | C20 | H7 | 0.3° | 0.0° |
| O5 | C19 | C18 | H18 | 0.3° | 0.2° |
| C21 | C22 | C14 | C13 | 2.6° | 0.0° |
| C21 | C22 | C14 | C17 | 179.8° | 180.0° |
| C21 | C22 | C17 | C18 | 0.8° | 0.2° |
| C21 | C22 | C14 | C15 | 179.9° | 180.0° |
| C21 | C22 | C17 | C16 | 178.8° | 179.7° |
| C22 | C21 | C20 | H7 | 179.4° | 180.0° |
| C24 | C23 | N4 | H19 | 119.1° | 118.8° |
| C24 | C23 | N4 | H20 | 119.1° | 118.8° |
| C23 | C24 | C11 | H9 | 115.1° | 118.8° |
| C23 | C24 | C11 | C31 | 158.2° | 121.2° |
| C23 | C24 | C11 | C12 | 39.1° | 0.3° |
| C24 | C23 | N4 | C12 | 18.9° | 39.0° |
| C24 | C23 | N4 | C13 | 160.9° | 141.0° |
| C24 | C23 | H19 | H20 | 122.7° | 122.3° |
| N4 | C23 | C24 | C11 | 33.6° | 23.8° |
| C23 | N4 | C12 | C11 | 5.9° | 38.6° |
| C23 | N4 | C12 | C13 | 179.8° | 180.0° |
| C23 | N4 | C13 | O4 | 0.4° | 6.4° |
| C23 | N4 | C13 | C14 | 179.8° | 173.5° |
| N4 | C23 | C24 | H9 | 81.2° | 95.1° |
| C23 | N4 | C12 | H15 | 125.0° | 80.1° |
| C23 | N4 | C12 | H16 | 113.3° | 157.4° |
| N4 | C23 | H19 | H20 | 122.6° | 122.4° |
| C19 | C18 | C17 | C22 | 0.7° | 0.5° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 178.7° | 180.0° |
| C18 | C19 | C20 | H7 | 179.5° | 179.7° |
| C18 | C19 | O5 | H28 | 0.8° | 90.3° |
| C24 | C11 | C31 | C12 | 117.4° | 117.8° |
| C24 | C11 | C31 | N3 | 162.2° | 144.4° |
| C24 | C11 | C12 | N4 | 27.2° | 23.1° |
| C24 | C11 | C10 | H4 | 33.9° | 120.4° |
| C24 | C11 | C10 | H5 | 87.4° | 2.0° |
| C24 | C11 | C12 | H15 | 146.4° | 95.5° |
| C24 | C11 | C12 | H16 | 91.9° | 142.0° |
| C11 | C24 | C23 | H19 | 152.7° | 142.6° |
| C11 | C24 | C23 | H20 | 85.5° | 95.1° |
| C24 | C11 | C31 | H24 | 43.9° | 97.0° |
| C24 | C11 | C31 | H25 | 79.6° | 25.6° |
| C1 | N1 | C2 | H1 | 180.0° | 179.8° |
| C1 | N1 | C2 | C3 | 179.8° | 179.7° |
| C1 | N1 | C2 | O1 | 0.2° | 0.2° |
| N1 | C1 | H12 | H13 | 120.0° | 120.0° |
| N1 | C1 | H12 | H14 | 120.0° | 120.0° |
| N1 | C1 | H13 | H14 | 120.0° | 120.0° |
| C11 | C31 | N3 | C8 | 160.5° | 158.2° |
| C11 | C31 | N3 | H24 | 118.2° | 118.7° |
| C11 | C31 | N3 | H25 | 118.2° | 118.8° |
| C31 | C11 | C12 | N4 | 148.9° | 97.8° |
| C31 | C11 | C10 | H4 | 89.8° | 118.5° |
| C31 | C11 | C10 | H5 | 148.9° | 119.1° |
| C31 | C11 | C24 | H9 | 43.1° | 2.4° |
| C31 | C11 | C12 | H15 | 91.9° | 143.6° |
| C31 | C11 | C12 | H16 | 29.8° | 21.0° |
| C11 | C31 | H24 | H25 | 125.0° | 122.6° |
| C12 | C11 | C31 | N3 | 80.4° | 97.8° |
| C11 | C12 | N4 | H15 | 119.2° | 118.7° |
| C11 | C12 | N4 | H16 | 119.2° | 118.8° |
| C11 | C12 | N4 | C13 | 174.4° | 141.4° |
| C12 | C11 | C10 | H4 | 151.5° | 2.4° |
| C12 | C11 | C10 | H5 | 30.2° | 120.0° |
| C12 | C11 | C24 | H9 | 76.0° | 118.5° |
| C11 | C12 | H15 | H16 | 122.4° | 122.6° |
| C12 | C11 | C31 | H24 | 161.4° | 20.9° |
| C12 | C11 | C31 | H25 | 37.8° | 143.4° |
| N1 | C2 | C3 | C8 | 115.6° | 172.4° |
| N1 | C2 | C3 | O1 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 64.6° | 7.4° |
| C2 | N1 | C1 | H12 | 180.0° | 180.0° |
| C2 | N1 | C1 | H13 | 60.0° | 60.0° |
| C2 | N1 | C1 | H14 | 60.0° | 60.0° |
| N3 | C8 | C7 | N2 | 0.5° | 0.0° |
| N3 | C8 | C7 | C3 | 177.9° | 179.8° |
| N3 | C8 | C7 | C6 | 178.8° | 179.9° |
| N3 | C8 | C3 | C2 | 1.7° | 0.1° |
| N3 | C8 | C3 | C4 | 178.5° | 179.7° |
| C8 | N3 | C31 | H24 | 81.3° | 83.1° |
| C8 | N3 | C31 | H25 | 42.3° | 39.4° |
| C8 | N3 | C9 | H26 | 54.8° | 39.7° |
| C8 | N3 | C9 | H27 | 66.2° | 82.7° |
| C31 | N3 | C8 | C7 | 60.0° | 118.9° |
| C31 | N3 | C8 | C3 | 122.1° | 60.9° |
| N3 | C31 | H24 | H25 | 125.0° | 122.5° |
| C31 | N3 | C9 | H26 | 136.2° | 79.9° |
| C31 | N3 | C9 | H27 | 102.9° | 157.7° |
| N2 | C7 | C8 | C6 | 179.4° | 179.9° |
| N2 | C7 | C8 | C3 | 178.4° | 179.8° |
| N2 | C7 | C6 | C5 | 178.5° | 180.0° |
| N2 | C7 | C6 | H3 | 1.6° | 0.2° |
| O2 | N2 | C7 | C8 | 141.9° | 174.9° |
| O2 | N2 | C7 | C6 | 38.7° | 5.1° |
| C12 | N4 | C13 | O4 | 179.4° | 173.5° |
| C12 | N4 | C13 | C14 | 0.5° | 6.5° |
| N4 | C12 | H15 | H16 | 122.5° | 122.5° |
| C12 | N4 | C23 | H19 | 138.0° | 157.8° |
| C12 | N4 | C23 | H20 | 100.2° | 79.8° |
| N4 | C13 | O4 | C14 | 179.9° | 180.0° |
| N4 | C13 | C14 | C22 | 84.2° | 153.5° |
| N4 | C13 | C14 | C15 | 98.4° | 26.5° |
| C13 | N4 | C12 | H15 | 55.2° | 99.9° |
| C13 | N4 | C12 | H16 | 66.5° | 22.5° |
| C13 | N4 | C23 | H19 | 41.8° | 22.2° |
| C13 | N4 | C23 | H20 | 80.0° | 100.2° |
| C7 | C8 | C3 | C2 | 179.7° | 179.7° |
| C7 | C8 | C3 | C4 | 0.6° | 0.6° |
| C8 | C7 | C6 | C5 | 0.9° | 0.1° |
| C8 | C7 | C6 | H3 | 179.0° | 179.9° |
| C3 | C8 | C7 | C6 | 1.0° | 0.3° |
| C8 | C3 | C2 | C4 | 179.8° | 179.7° |
| C8 | C3 | C2 | O1 | 64.4° | 7.6° |
| C8 | C3 | C4 | C5 | 0.1° | 0.6° |
| C8 | C3 | C4 | H2 | 179.9° | 179.8° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.1° |
| C7 | C6 | C5 | BR1 | 180.0° | 180.0° |
| O4 | C13 | C14 | C22 | 95.9° | 26.5° |
| O4 | C13 | C14 | C15 | 81.4° | 153.5° |
| C2 | C3 | C4 | C5 | 179.9° | 179.7° |
| C3 | C2 | N1 | H1 | 0.2° | 0.1° |
| C2 | C3 | C4 | H2 | 0.1° | 0.0° |
| O1 | C2 | C3 | C4 | 115.4° | 172.7° |
| O1 | C2 | N1 | H1 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.4° |
| C3 | C4 | C5 | H2 | 180.0° | 179.6° |
| C3 | C4 | C5 | BR1 | 179.6° | 179.7° |
| C6 | C5 | C4 | BR1 | 179.5° | 179.9° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C13 | C14 | C22 | C15 | 177.3° | 180.0° |
| C13 | C14 | C22 | C17 | 177.3° | 180.0° |
| C13 | C14 | C15 | N5 | 178.3° | 180.0° |
| C13 | C14 | C15 | H6 | 1.7° | 0.3° |
| C14 | C22 | C17 | C18 | 179.4° | 179.7° |
| C14 | C22 | C17 | C16 | 1.4° | 0.2° |
| C22 | C14 | C15 | N5 | 1.0° | 0.0° |
| C22 | C14 | C15 | H6 | 179.0° | 179.7° |
| C14 | C22 | C21 | H8 | 0.5° | 0.1° |
| C22 | C17 | C18 | C16 | 177.9° | 179.5° |
| C17 | C22 | C14 | C15 | 0.0° | 0.0° |
| C22 | C17 | C16 | N5 | 1.8° | 0.5° |
| C17 | C22 | C21 | H8 | 179.3° | 180.0° |
| C22 | C17 | C16 | H17 | 178.2° | 180.0° |
| C22 | C17 | C18 | H18 | 179.3° | 179.5° |
| C18 | C17 | C16 | N5 | 179.8° | 180.0° |
| C18 | C17 | C16 | H17 | 0.2° | 0.5° |
| C4 | C5 | C6 | H3 | 179.4° | 180.0° |
| BR1 | C5 | C4 | H2 | 0.4° | 0.1° |
| BR1 | C5 | C6 | H3 | 0.0° | 0.2° |
| C14 | C15 | N5 | H6 | 180.0° | 179.7° |
| C14 | C15 | N5 | C16 | 0.6° | 0.3° |
| C17 | C16 | N5 | C15 | 0.8° | 0.6° |
| C17 | C16 | N5 | H17 | 180.0° | 179.5° |
| C16 | C17 | C18 | H18 | 1.4° | 0.0° |
| C15 | N5 | C16 | H17 | 179.2° | 179.9° |
| C16 | N5 | C15 | H6 | 179.4° | 180.0° |
| H1 | N1 | C1 | H12 | 0.0° | 0.2° |
| H1 | N1 | C1 | H13 | 120.0° | 119.8° |
| H1 | N1 | C1 | H14 | 120.0° | 120.2° |
| H4 | C10 | C9 | H26 | 131.3° | 146.0° |
| H4 | C10 | C9 | H27 | 10.3° | 23.7° |
| H5 | C10 | C9 | H26 | 10.0° | 23.7° |
| H5 | C10 | C9 | H27 | 111.0° | 98.7° |
| H7 | C20 | C21 | H8 | 0.5° | 0.0° |
| H9 | C24 | C23 | H19 | 37.9° | 23.7° |
| H9 | C24 | C23 | H20 | 159.7° | 146.1° |
| H10 | C26 | C27 | H21 | 0.9° | 0.3° |
| H11 | C28 | C27 | H21 | 0.0° | 0.2° |
| H11 | C28 | C29 | H22 | 0.1° | 0.1° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H22 | C29 | C30 | H23 | 1.1° | 0.5° |
