8IY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C25 | sing | 1.49Å | 1.48Å | |
| N4 | C24 | sing | 1.49Å | 1.46Å | |
| C25 | C26 | sing | 1.54Å | 1.51Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C24 | C27 | sing | 1.54Å | 1.54Å | |
| O4 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | N3 | sing | 1.35Å | 1.34Å | |
| C27 | C26 | sing | 1.54Å | 1.51Å | |
| C26 | F1 | sing | 1.40Å | 1.40Å | |
| N3 | C22 | sing | 1.46Å | 1.45Å | |
| C22 | C21 | sing | 1.55Å | 1.54Å | |
| C22 | C28 | sing | 1.55Å | 1.53Å | |
| C21 | N2 | sing | 1.47Å | 1.47Å | |
| C28 | C16 | sing | 1.54Å | 1.52Å | |
| N2 | C16 | sing | 1.47Å | 1.48Å | |
| N2 | C17 | sing | 1.35Å | 1.35Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| O3 | C17 | doub | 1.21Å | 1.23Å | |
| C15 | N1 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| N1 | C14 | sing | 1.35Å | 1.34Å | |
| O5 | C14 | doub | 1.22Å | 1.24Å | |
| C14 | C13 | sing | 1.48Å | 1.51Å | |
| C29 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C30 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.47Å | |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | trip | 1.17Å | 1.20Å | |
| C8 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 1.01Å | 1.00Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N4 | C24 | 109.9° | 104.2° |
| N4 | C25 | C26 | 105.9° | 104.6° |
| C25 | N4 | H26 | 109.3° | 111.0° |
| N4 | C25 | H28 | 110.3° | 110.4° |
| N4 | C25 | H29 | 110.4° | 110.5° |
| N4 | C24 | C23 | 111.0° | 110.4° |
| N4 | C24 | C27 | 101.8° | 104.6° |
| N4 | C24 | H25 | 111.1° | 110.5° |
| C24 | N4 | H26 | 109.3° | 111.0° |
| C25 | C26 | C27 | 104.2° | 105.1° |
| C25 | C26 | F1 | 111.0° | 110.3° |
| C26 | C25 | H28 | 110.3° | 110.4° |
| C26 | C25 | H29 | 110.3° | 110.4° |
| C25 | C26 | H30 | 110.7° | 110.3° |
| C23 | C24 | C27 | 112.5° | 110.4° |
| C24 | C23 | O4 | 120.6° | 120.0° |
| C24 | C23 | N3 | 115.2° | 120.0° |
| C23 | C24 | H25 | 110.2° | 110.4° |
| C24 | C27 | C26 | 103.9° | 105.0° |
| C27 | C24 | H25 | 110.0° | 110.4° |
| C24 | C27 | H31 | 110.9° | 110.3° |
| C24 | C27 | H32 | 110.9° | 110.4° |
| O4 | C23 | N3 | 124.2° | 120.0° |
| C23 | N3 | C22 | 123.3° | 120.0° |
| C23 | N3 | H24 | 118.3° | 120.0° |
| C27 | C26 | F1 | 107.4° | 110.4° |
| C27 | C26 | H30 | 110.7° | 110.4° |
| C26 | C27 | H31 | 110.9° | 110.3° |
| C26 | C27 | H32 | 110.9° | 110.3° |
| F1 | C26 | H30 | 112.4° | 110.3° |
| N3 | C22 | C21 | 113.7° | 111.0° |
| N3 | C22 | C28 | 112.7° | 111.0° |
| N3 | C22 | H23 | 109.1° | 110.9° |
| C22 | N3 | H24 | 118.3° | 120.0° |
| C21 | C22 | C28 | 104.9° | 101.7° |
| C22 | C21 | N2 | 102.8° | 104.9° |
| C22 | C21 | H21 | 111.1° | 110.4° |
| C22 | C21 | H22 | 111.1° | 110.5° |
| C21 | C22 | H23 | 108.0° | 111.0° |
| C22 | C28 | C16 | 104.0° | 102.8° |
| C28 | C22 | H23 | 108.1° | 110.9° |
| C22 | C28 | H33 | 110.8° | 110.8° |
| C22 | C28 | H34 | 110.8° | 110.7° |
| C21 | N2 | C16 | 113.6° | 108.7° |
| C21 | N2 | C17 | 124.5° | 125.6° |
| N2 | C21 | H21 | 111.1° | 110.4° |
| N2 | C21 | H22 | 111.1° | 110.4° |
| C28 | C16 | N2 | 102.3° | 107.4° |
| C28 | C16 | C15 | 112.6° | 109.9° |
| C28 | C16 | H15 | 109.1° | 109.8° |
| C16 | C28 | H33 | 110.8° | 110.9° |
| C16 | C28 | H34 | 110.8° | 110.6° |
| C16 | N2 | C17 | 122.0° | 125.7° |
| N2 | C16 | C15 | 113.9° | 109.9° |
| N2 | C16 | H15 | 109.6° | 109.9° |
| N2 | C17 | O3 | 118.8° | 120.0° |
| N2 | C17 | C18 | 118.0° | 120.0° |
| C16 | C15 | N1 | 109.8° | 109.5° |
| C16 | C15 | H13 | 109.4° | 109.4° |
| C16 | C15 | H14 | 109.4° | 109.4° |
| C15 | C16 | H15 | 109.1° | 109.8° |
| O3 | C17 | C18 | 123.2° | 120.1° |
| C15 | N1 | C14 | 125.4° | 120.0° |
| C15 | N1 | H12 | 117.4° | 119.9° |
| N1 | C15 | H13 | 109.4° | 109.5° |
| N1 | C15 | H14 | 109.4° | 109.5° |
| C17 | C18 | C20 | 117.8° | 117.5° |
| C17 | C18 | C19 | 119.2° | 117.5° |
| C17 | C18 | H16 | 116.5° | 115.6° |
| N1 | C14 | O5 | 122.3° | 120.0° |
| N1 | C14 | C13 | 116.2° | 120.0° |
| C14 | N1 | H12 | 117.3° | 120.1° |
| O5 | C14 | C13 | 121.3° | 120.0° |
| C14 | C13 | C29 | 122.3° | 120.0° |
| C14 | C13 | C12 | 118.9° | 120.0° |
| C13 | C29 | C30 | 120.5° | 120.0° |
| C29 | C13 | C12 | 118.7° | 120.1° |
| C13 | C29 | H35 | 119.7° | 120.0° |
| C29 | C30 | C10 | 120.6° | 120.0° |
| C30 | C29 | H35 | 119.7° | 120.0° |
| C29 | C30 | H36 | 119.7° | 120.0° |
| C13 | C12 | C11 | 121.1° | 120.0° |
| C13 | C12 | H11 | 119.5° | 120.0° |
| C20 | C18 | C19 | 58.5° | 60.0° |
| C18 | C20 | C19 | 60.6° | 60.0° |
| C20 | C18 | H16 | 116.1° | 117.5° |
| C18 | C20 | H19 | 119.9° | 117.5° |
| C18 | C20 | H20 | 119.9° | 117.5° |
| C18 | C19 | C20 | 60.9° | 60.0° |
| C19 | C18 | H16 | 116.2° | 117.6° |
| C18 | C19 | H17 | 119.9° | 117.5° |
| C18 | C19 | H18 | 119.8° | 117.5° |
| C30 | C10 | C11 | 118.2° | 119.9° |
| C30 | C10 | C9 | 121.2° | 120.0° |
| C10 | C30 | H36 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C12 | C11 | H10 | 119.6° | 120.0° |
| C11 | C12 | H11 | 119.5° | 120.0° |
| C20 | C19 | H17 | 119.9° | 117.5° |
| C20 | C19 | H18 | 119.8° | 117.5° |
| C19 | C20 | H19 | 119.9° | 117.5° |
| C19 | C20 | H20 | 119.9° | 117.5° |
| C11 | C10 | C9 | 120.5° | 120.1° |
| C10 | C11 | H10 | 119.6° | 120.0° |
| C10 | C9 | C8 | 175.0° | 180.0° |
| C9 | C8 | C7 | 177.2° | 180.0° |
| C8 | C7 | C31 | 121.0° | 120.2° |
| C8 | C7 | C6 | 120.9° | 120.2° |
| C31 | C7 | C6 | 118.1° | 119.7° |
| C7 | C31 | C32 | 120.6° | 119.8° |
| C7 | C31 | H37 | 119.7° | 120.1° |
| C7 | C6 | C5 | 121.1° | 119.8° |
| C7 | C6 | H8 | 119.5° | 120.1° |
| C31 | C32 | C4 | 120.8° | 120.2° |
| C32 | C31 | H37 | 119.7° | 120.1° |
| C31 | C32 | H38 | 119.6° | 119.9° |
| C6 | C5 | C4 | 121.3° | 120.2° |
| C6 | C5 | H7 | 119.3° | 119.9° |
| C5 | C6 | H8 | 119.4° | 120.1° |
| C32 | C4 | C5 | 118.1° | 120.3° |
| C32 | C4 | C2 | 121.7° | 119.9° |
| C4 | C32 | H38 | 119.6° | 119.9° |
| C5 | C4 | C2 | 120.2° | 119.8° |
| C4 | C5 | H7 | 119.4° | 119.9° |
| C4 | C2 | C1 | 110.8° | 109.5° |
| C4 | C2 | O2 | 113.2° | 109.5° |
| C4 | C2 | H3 | 108.4° | 109.5° |
| O1 | C1 | C2 | 107.4° | 109.4° |
| O1 | C1 | H1 | 110.0° | 109.5° |
| O1 | C1 | H2 | 110.0° | 109.5° |
| C1 | O1 | H9 | 109.5° | 114.0° |
| C1 | C2 | O2 | 106.5° | 109.5° |
| C2 | C1 | H1 | 110.0° | 109.5° |
| C2 | C1 | H2 | 110.0° | 109.4° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C2 | O2 | C3 | 113.0° | 114.0° |
| O2 | C2 | H3 | 109.6° | 109.4° |
| O2 | C3 | H4 | 109.5° | 109.5° |
| O2 | C3 | H5 | 109.5° | 109.5° |
| O2 | C3 | H6 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 115.6° |
| H19 | C20 | H20 | 109.5° | 115.5° |
| H21 | C21 | H22 | 109.5° | 110.3° |
| H28 | C25 | H29 | 109.5° | 110.4° |
| H31 | C27 | H32 | 109.4° | 110.4° |
| H33 | C28 | H34 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N4 | C24 | H26 | 120.0° | 119.6° |
| N4 | C25 | C26 | H28 | 119.4° | 118.8° |
| N4 | C25 | C26 | H29 | 119.4° | 118.8° |
| C25 | N4 | C24 | C23 | 92.7° | 158.2° |
| C25 | N4 | C24 | C27 | 27.2° | 39.5° |
| N4 | C25 | C26 | C27 | 17.3° | 23.9° |
| N4 | C25 | C26 | F1 | 98.0° | 95.1° |
| C25 | N4 | C24 | H25 | 144.3° | 79.3° |
| N4 | C25 | H28 | H29 | 121.6° | 122.4° |
| N4 | C25 | C26 | H30 | 136.4° | 142.8° |
| C24 | N4 | C25 | C26 | 6.6° | 39.5° |
| N4 | C24 | C23 | C27 | 113.3° | 115.2° |
| N4 | C24 | C23 | H25 | 123.4° | 122.5° |
| N4 | C24 | C27 | H25 | 117.9° | 118.9° |
| N4 | C24 | C23 | O4 | 13.7° | 15.1° |
| N4 | C24 | C23 | N3 | 166.0° | 164.8° |
| N4 | C24 | C27 | C26 | 37.2° | 23.8° |
| C24 | N4 | C25 | H28 | 126.1° | 79.3° |
| C24 | N4 | C25 | H29 | 112.8° | 158.3° |
| N4 | C24 | C27 | H31 | 156.4° | 95.0° |
| N4 | C24 | C27 | H32 | 81.9° | 142.7° |
| C25 | C26 | C27 | C24 | 33.8° | 0.0° |
| C25 | C26 | C27 | F1 | 117.8° | 118.9° |
| C25 | C26 | C27 | H30 | 119.1° | 118.9° |
| C25 | C26 | F1 | H30 | 124.7° | 122.1° |
| C26 | C25 | N4 | H26 | 126.7° | 80.1° |
| C26 | C25 | H28 | H29 | 121.6° | 122.4° |
| C25 | C26 | C27 | H31 | 152.9° | 118.9° |
| C25 | C26 | C27 | H32 | 85.3° | 118.9° |
| C23 | C24 | C27 | H25 | 123.3° | 122.3° |
| C24 | C23 | O4 | N3 | 179.8° | 180.0° |
| C23 | C24 | C27 | C26 | 81.6° | 142.6° |
| C24 | C23 | N3 | C22 | 179.4° | 180.0° |
| C24 | C23 | N3 | H24 | 0.6° | 0.0° |
| C23 | C24 | N4 | H26 | 27.3° | 38.6° |
| C23 | C24 | C27 | H31 | 37.5° | 23.8° |
| C23 | C24 | C27 | H32 | 159.3° | 98.5° |
| C27 | C24 | C23 | O4 | 99.6° | 100.0° |
| C27 | C24 | C23 | N3 | 80.6° | 80.0° |
| C24 | C27 | C26 | H31 | 119.1° | 118.9° |
| C24 | C27 | C26 | H32 | 119.1° | 118.9° |
| C24 | C27 | C26 | F1 | 84.0° | 118.9° |
| C27 | C24 | N4 | H26 | 147.2° | 80.1° |
| C24 | C27 | C26 | H30 | 152.9° | 118.9° |
| C24 | C27 | H31 | H32 | 122.6° | 122.2° |
| O4 | C23 | N3 | C22 | 0.8° | 0.0° |
| O4 | C23 | N3 | H24 | 179.2° | 180.0° |
| O4 | C23 | C24 | H25 | 137.2° | 137.7° |
| C23 | N3 | C22 | H24 | 180.0° | 180.0° |
| C23 | N3 | C22 | C21 | 173.8° | 86.5° |
| C23 | N3 | C22 | C28 | 66.9° | 161.2° |
| C23 | N3 | C22 | H23 | 53.2° | 37.5° |
| N3 | C23 | C24 | H25 | 42.6° | 42.3° |
| C27 | C26 | F1 | H30 | 122.0° | 122.2° |
| C26 | C27 | C24 | H25 | 155.1° | 95.1° |
| C27 | C26 | C25 | H28 | 102.1° | 94.9° |
| C27 | C26 | C25 | H29 | 136.8° | 142.7° |
| C26 | C27 | H31 | H32 | 122.6° | 122.2° |
| F1 | C26 | C25 | H28 | 142.6° | 146.2° |
| F1 | C26 | C25 | H29 | 21.5° | 23.8° |
| F1 | C26 | C27 | H31 | 35.1° | 0.0° |
| F1 | C26 | C27 | H32 | 156.9° | 122.2° |
| N3 | C22 | C21 | C28 | 123.6° | 118.1° |
| N3 | C22 | C21 | H23 | 121.3° | 123.9° |
| N3 | C22 | C28 | H23 | 120.7° | 123.8° |
| N3 | C22 | C21 | N2 | 99.6° | 155.1° |
| N3 | C22 | C28 | C16 | 88.8° | 153.4° |
| N3 | C22 | C21 | H21 | 141.5° | 36.2° |
| N3 | C22 | C21 | H22 | 19.3° | 86.0° |
| N3 | C22 | C28 | H33 | 30.3° | 88.0° |
| N3 | C22 | C28 | H34 | 152.0° | 35.3° |
| C21 | C22 | C28 | H23 | 115.1° | 118.1° |
| C22 | C21 | N2 | H21 | 118.9° | 118.9° |
| C22 | C21 | N2 | H22 | 118.9° | 119.0° |
| C21 | C22 | C28 | C16 | 35.4° | 35.3° |
| C22 | C21 | N2 | C16 | 3.9° | 24.2° |
| C22 | C21 | N2 | C17 | 175.6° | 155.8° |
| C22 | C21 | H21 | H22 | 123.1° | 122.4° |
| C21 | C22 | N3 | H24 | 6.1° | 93.5° |
| C21 | C22 | C28 | H33 | 154.5° | 153.9° |
| C21 | C22 | C28 | H34 | 83.8° | 82.8° |
| C28 | C22 | C21 | N2 | 24.0° | 36.9° |
| C22 | C28 | C16 | H33 | 119.1° | 118.4° |
| C22 | C28 | C16 | H34 | 119.1° | 118.2° |
| C22 | C28 | C16 | N2 | 31.8° | 22.0° |
| C22 | C28 | C16 | C15 | 90.9° | 141.5° |
| C22 | C28 | C16 | H15 | 147.8° | 97.5° |
| C28 | C22 | C21 | H21 | 94.9° | 81.9° |
| C28 | C22 | C21 | H22 | 142.9° | 155.8° |
| C28 | C22 | N3 | H24 | 113.1° | 18.8° |
| C22 | C28 | H33 | H34 | 122.5° | 123.3° |
| C21 | N2 | C16 | C28 | 17.7° | 1.2° |
| C21 | N2 | C16 | C17 | 179.5° | 180.0° |
| C21 | N2 | C16 | C15 | 104.1° | 118.4° |
| C21 | N2 | C17 | O3 | 15.8° | 174.9° |
| C21 | N2 | C17 | C18 | 165.1° | 5.1° |
| C21 | N2 | C16 | H15 | 133.4° | 120.6° |
| N2 | C21 | H21 | H22 | 123.1° | 122.2° |
| N2 | C21 | C22 | H23 | 139.1° | 81.1° |
| C28 | C16 | N2 | C15 | 121.8° | 119.6° |
| C28 | C16 | N2 | H15 | 115.7° | 119.4° |
| C28 | C16 | N2 | C17 | 162.8° | 178.8° |
| C28 | C16 | C15 | H15 | 121.3° | 120.9° |
| C28 | C16 | C15 | N1 | 68.0° | 67.4° |
| C28 | C16 | C15 | H13 | 172.0° | 52.6° |
| C28 | C16 | C15 | H14 | 52.1° | 172.6° |
| C16 | C28 | C22 | H23 | 150.5° | 82.8° |
| C16 | C28 | H33 | H34 | 122.5° | 123.2° |
| N2 | C16 | C15 | H15 | 122.8° | 121.0° |
| C16 | N2 | C17 | O3 | 163.7° | 5.1° |
| N2 | C16 | C15 | N1 | 176.2° | 174.6° |
| C16 | N2 | C17 | C18 | 15.4° | 174.9° |
| N2 | C16 | C15 | H13 | 56.2° | 65.4° |
| N2 | C16 | C15 | H14 | 63.8° | 54.5° |
| C16 | N2 | C21 | H21 | 115.0° | 94.7° |
| C16 | N2 | C21 | H22 | 122.8° | 143.2° |
| N2 | C16 | C28 | H33 | 150.9° | 140.4° |
| N2 | C16 | C28 | H34 | 87.3° | 96.2° |
| C17 | N2 | C16 | C15 | 75.4° | 61.6° |
| N2 | C17 | O3 | C18 | 179.1° | 180.0° |
| N2 | C17 | C18 | C20 | 129.9° | 180.0° |
| N2 | C17 | C18 | C19 | 162.5° | 111.4° |
| C17 | N2 | C16 | H15 | 47.1° | 59.4° |
| N2 | C17 | C18 | H16 | 15.0° | 34.4° |
| C17 | N2 | C21 | H21 | 65.5° | 85.3° |
| C17 | N2 | C21 | H22 | 56.6° | 36.8° |
| C16 | C15 | N1 | H13 | 120.0° | 120.0° |
| C16 | C15 | N1 | H14 | 120.0° | 120.0° |
| C16 | C15 | N1 | C14 | 177.5° | 175.0° |
| C16 | C15 | N1 | H12 | 2.5° | 5.0° |
| C16 | C15 | H13 | H14 | 119.9° | 119.9° |
| C15 | C16 | C28 | H33 | 28.3° | 100.0° |
| C15 | C16 | C28 | H34 | 150.0° | 23.3° |
| O3 | C17 | C18 | C20 | 49.1° | 0.0° |
| O3 | C17 | C18 | C19 | 18.4° | 68.6° |
| O3 | C17 | C18 | H16 | 166.0° | 145.6° |
| C15 | N1 | C14 | H12 | 180.0° | 180.0° |
| C15 | N1 | C14 | O5 | 10.9° | 0.0° |
| C15 | N1 | C14 | C13 | 163.8° | 180.0° |
| N1 | C15 | H13 | H14 | 119.9° | 120.1° |
| N1 | C15 | C16 | H15 | 53.4° | 53.5° |
| C17 | C18 | C20 | C19 | 108.9° | 107.5° |
| C17 | C18 | C20 | H16 | 145.0° | 145.0° |
| C17 | C18 | C19 | H16 | 147.6° | 145.1° |
| C17 | C18 | C19 | H17 | 143.8° | 145.1° |
| C17 | C18 | C19 | H18 | 3.3° | 0.1° |
| C17 | C18 | C20 | H19 | 0.7° | 0.1° |
| C17 | C18 | C20 | H20 | 141.4° | 145.0° |
| N1 | C14 | O5 | C13 | 174.5° | 180.0° |
| N1 | C14 | C13 | C29 | 30.8° | 0.1° |
| N1 | C14 | C13 | C12 | 145.9° | 180.0° |
| C14 | N1 | C15 | H13 | 57.4° | 65.0° |
| C14 | N1 | C15 | H14 | 62.5° | 55.0° |
| O5 | C14 | C13 | C29 | 154.5° | 179.9° |
| O5 | C14 | C13 | C12 | 28.9° | 0.0° |
| O5 | C14 | N1 | H12 | 169.1° | 180.0° |
| C14 | C13 | C29 | C12 | 176.7° | 179.9° |
| C14 | C13 | C29 | C30 | 177.9° | 179.7° |
| C14 | C13 | C12 | C11 | 178.3° | 179.9° |
| C14 | C13 | C12 | H11 | 1.6° | 0.1° |
| C13 | C14 | N1 | H12 | 16.1° | 0.0° |
| C14 | C13 | C29 | H35 | 2.1° | 0.1° |
| C13 | C29 | C30 | H35 | 180.0° | 179.8° |
| C13 | C29 | C30 | C10 | 0.0° | 0.5° |
| C29 | C13 | C12 | C11 | 1.6° | 0.0° |
| C29 | C13 | C12 | H11 | 178.4° | 180.0° |
| C13 | C29 | C30 | H36 | 180.0° | 179.9° |
| C30 | C29 | C13 | C12 | 1.2° | 0.2° |
| C29 | C30 | C10 | H36 | 180.0° | 179.4° |
| C29 | C30 | C10 | C11 | 0.9° | 0.6° |
| C29 | C30 | C10 | C9 | 177.4° | 179.7° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.7° | 0.0° |
| C13 | C12 | C11 | H10 | 179.4° | 180.0° |
| C12 | C13 | C29 | H35 | 178.8° | 180.0° |
| C20 | C18 | C19 | H16 | 105.9° | 107.5° |
| C18 | C20 | C19 | H19 | 109.7° | 107.5° |
| C18 | C20 | C19 | H20 | 109.6° | 107.5° |
| C20 | C18 | C19 | H17 | 109.7° | 107.4° |
| C20 | C18 | C19 | H18 | 109.7° | 107.5° |
| C18 | C20 | H19 | H20 | 144.4° | 145.6° |
| C18 | C19 | H17 | H18 | 144.2° | 145.7° |
| C30 | C10 | C11 | C12 | 0.6° | 0.3° |
| C30 | C10 | C11 | C9 | 176.5° | 179.7° |
| C30 | C10 | C9 | C8 | 87.6° | 150.4° |
| C30 | C10 | C11 | H10 | 179.4° | 179.7° |
| C10 | C30 | C29 | H35 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 177.1° | 180.0° |
| C20 | C19 | H17 | H18 | 144.2° | 145.7° |
| C19 | C20 | H19 | H20 | 144.4° | 145.7° |
| C11 | C10 | C9 | C8 | 88.9° | 29.3° |
| C10 | C11 | C12 | H11 | 179.3° | 180.0° |
| C11 | C10 | C30 | H36 | 179.1° | 180.0° |
| C10 | C9 | C8 | C7 | 57.1° | 82.3° |
| C9 | C10 | C11 | H10 | 2.9° | 0.0° |
| C9 | C10 | C30 | H36 | 2.6° | 0.3° |
| C9 | C8 | C7 | C31 | 138.4° | 127.1° |
| C9 | C8 | C7 | C6 | 42.0° | 52.7° |
| C8 | C7 | C31 | C6 | 179.6° | 179.8° |
| C8 | C7 | C31 | C32 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 179.7° | 179.8° |
| C8 | C7 | C6 | H8 | 0.3° | 0.2° |
| C8 | C7 | C31 | H37 | 0.3° | 0.2° |
| C7 | C31 | C32 | H37 | 180.0° | 179.8° |
| C31 | C7 | C6 | C5 | 0.7° | 0.0° |
| C7 | C31 | C32 | C4 | 0.5° | 0.4° |
| C31 | C7 | C6 | H8 | 179.3° | 180.0° |
| C7 | C31 | C32 | H38 | 179.5° | 180.0° |
| C6 | C7 | C31 | C32 | 0.8° | 0.2° |
| C7 | C6 | C5 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.4° | 0.0° |
| C7 | C6 | C5 | H7 | 179.6° | 180.0° |
| C6 | C7 | C31 | H37 | 179.2° | 180.0° |
| C31 | C32 | C4 | H38 | 180.0° | 179.6° |
| C31 | C32 | C4 | C5 | 0.2° | 0.4° |
| C31 | C32 | C4 | C2 | 179.7° | 179.7° |
| C6 | C5 | C4 | C32 | 0.1° | 0.2° |
| C6 | C5 | C4 | H7 | 180.0° | 180.0° |
| C6 | C5 | C4 | C2 | 179.8° | 180.0° |
| C32 | C4 | C5 | C2 | 179.9° | 179.8° |
| C32 | C4 | C2 | C1 | 78.3° | 80.2° |
| C32 | C4 | C2 | O2 | 41.2° | 39.8° |
| C32 | C4 | C2 | H3 | 162.9° | 159.7° |
| C32 | C4 | C5 | H7 | 179.8° | 179.7° |
| C4 | C32 | C31 | H37 | 179.5° | 179.7° |
| C5 | C4 | C2 | C1 | 101.6° | 100.0° |
| C5 | C4 | C2 | O2 | 138.8° | 140.0° |
| C5 | C4 | C2 | H3 | 17.1° | 20.1° |
| C4 | C5 | C6 | H8 | 179.6° | 180.0° |
| C5 | C4 | C32 | H38 | 179.8° | 180.0° |
| C4 | C2 | C1 | O1 | 90.6° | 55.0° |
| C4 | C2 | C1 | O2 | 123.5° | 120.0° |
| C4 | C2 | C1 | H3 | 118.8° | 120.0° |
| C4 | C2 | O2 | H3 | 121.0° | 120.0° |
| C4 | C2 | O2 | C3 | 65.5° | 150.0° |
| C4 | C2 | C1 | H1 | 149.7° | 175.0° |
| C4 | C2 | C1 | H2 | 29.1° | 65.0° |
| C2 | C4 | C5 | H7 | 0.2° | 0.1° |
| C2 | C4 | C32 | H38 | 0.3° | 0.2° |
| O1 | C1 | C2 | H1 | 119.7° | 120.0° |
| O1 | C1 | C2 | H2 | 119.7° | 120.0° |
| O1 | C1 | C2 | O2 | 146.0° | 65.0° |
| O1 | C1 | H1 | H2 | 121.0° | 120.0° |
| O1 | C1 | C2 | H3 | 28.2° | 175.0° |
| C1 | C2 | O2 | H3 | 117.0° | 120.0° |
| C1 | C2 | O2 | C3 | 172.5° | 90.0° |
| C2 | C1 | H1 | H2 | 120.9° | 120.0° |
| C2 | C1 | O1 | H9 | 180.0° | 180.0° |
| O2 | C2 | C1 | H1 | 26.3° | 55.0° |
| O2 | C2 | C1 | H2 | 94.3° | 175.0° |
| C2 | O2 | C3 | H4 | 180.0° | 180.0° |
| C2 | O2 | C3 | H5 | 60.0° | 59.9° |
| C2 | O2 | C3 | H6 | 60.0° | 60.0° |
| C3 | O2 | C2 | H3 | 55.5° | 30.0° |
| O2 | C3 | H4 | H5 | 120.0° | 120.1° |
| O2 | C3 | H4 | H6 | 120.0° | 120.0° |
| O2 | C3 | H5 | H6 | 120.0° | 119.9° |
| H1 | C1 | C2 | H3 | 91.5° | 65.0° |
| H1 | C1 | O1 | H9 | 60.3° | 60.0° |
| H2 | C1 | C2 | H3 | 147.9° | 55.0° |
| H2 | C1 | O1 | H9 | 60.3° | 60.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C5 | C6 | H8 | 0.4° | 0.0° |
| H10 | C11 | C12 | H11 | 0.6° | 0.0° |
| H12 | N1 | C15 | H13 | 122.5° | 115.0° |
| H12 | N1 | C15 | H14 | 117.5° | 125.0° |
| H13 | C15 | C16 | H15 | 66.6° | 173.5° |
| H14 | C15 | C16 | H15 | 173.4° | 66.5° |
| H15 | C16 | C28 | H33 | 93.0° | 20.9° |
| H15 | C16 | C28 | H34 | 28.7° | 144.3° |
| H16 | C18 | C19 | H17 | 3.8° | 0.0° |
| H16 | C18 | C19 | H18 | 144.4° | 145.0° |
| H16 | C18 | C20 | H19 | 144.4° | 144.9° |
| H16 | C18 | C20 | H20 | 3.6° | 0.0° |
| H17 | C19 | C20 | H19 | 140.6° | 145.0° |
| H17 | C19 | C20 | H20 | 0.1° | 0.0° |
| H18 | C19 | C20 | H19 | 0.0° | 0.0° |
| H18 | C19 | C20 | H20 | 140.6° | 145.0° |
| H21 | C21 | C22 | H23 | 20.2° | 160.1° |
| H22 | C21 | C22 | H23 | 102.0° | 37.8° |
| H23 | C22 | N3 | H24 | 126.8° | 142.5° |
| H23 | C22 | C28 | H33 | 90.4° | 35.8° |
| H23 | C22 | C28 | H34 | 31.3° | 159.1° |
| H25 | C24 | N4 | H26 | 95.7° | 161.1° |
| H25 | C24 | C27 | H31 | 85.8° | 146.1° |
| H25 | C24 | C27 | H32 | 36.0° | 23.8° |
| H26 | N4 | C25 | H28 | 113.9° | 161.1° |
| H26 | N4 | C25 | H29 | 7.2° | 38.7° |
| H28 | C25 | C26 | H30 | 17.0° | 24.1° |
| H29 | C25 | C26 | H30 | 104.1° | 98.3° |
| H30 | C26 | C27 | H31 | 88.0° | 122.2° |
| H30 | C26 | C27 | H32 | 33.8° | 0.0° |
| H35 | C29 | C30 | H36 | 0.0° | 0.2° |
| H37 | C31 | C32 | H38 | 0.5° | 0.2° |
