A1ICW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C25 | doub | 1.30Å | 1.28Å | |
| N4 | C26 | sing | 1.36Å | 1.39Å | |
| C25 | N3 | sing | 1.36Å | 1.37Å | |
| C27 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C31 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | C24 | sing | 1.47Å | 1.48Å | |
| N3 | C32 | sing | 1.35Å | 1.39Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| O2 | C23 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.47Å | 1.45Å | |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | O3 | doub | 1.22Å | 1.22Å | |
| C29 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C33 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | N2 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C2 | C14 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C13 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C12 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N4 | C26 | 117.1° | 121.6° |
| N4 | C25 | N3 | 125.7° | 123.4° |
| N4 | C25 | H30 | 117.1° | 118.3° |
| N4 | C26 | C27 | 118.9° | 121.7° |
| N4 | C26 | C31 | 122.2° | 119.0° |
| C25 | N3 | C24 | 118.9° | 119.7° |
| C25 | N3 | C32 | 120.9° | 120.6° |
| N3 | C25 | H30 | 117.1° | 118.3° |
| C26 | C27 | C28 | 120.3° | 119.7° |
| C27 | C26 | C31 | 119.0° | 119.3° |
| C26 | C27 | H31 | 119.8° | 120.2° |
| C27 | C28 | C29 | 120.6° | 120.8° |
| C27 | C28 | H32 | 119.7° | 119.6° |
| C28 | C27 | H31 | 119.9° | 120.1° |
| C26 | C31 | C32 | 118.7° | 118.0° |
| C26 | C31 | C30 | 120.5° | 120.1° |
| C28 | C29 | C30 | 120.1° | 120.6° |
| C29 | C28 | H32 | 119.7° | 119.6° |
| C28 | C29 | H33 | 120.0° | 119.7° |
| C24 | N3 | C32 | 120.2° | 119.7° |
| N3 | C24 | C23 | 110.8° | 109.5° |
| N3 | C24 | H29 | 109.1° | 109.5° |
| N3 | C24 | H28 | 109.1° | 109.5° |
| N3 | C32 | C31 | 115.4° | 117.4° |
| N3 | C32 | O3 | 120.9° | 121.3° |
| C24 | C23 | O2 | 108.5° | 109.5° |
| C24 | C23 | C22 | 112.1° | 109.5° |
| C24 | C23 | C33 | 114.2° | 109.4° |
| C23 | C24 | H29 | 109.1° | 109.5° |
| C23 | C24 | H28 | 109.1° | 109.4° |
| O2 | C23 | C22 | 104.4° | 109.5° |
| O2 | C23 | C33 | 107.4° | 109.5° |
| C23 | O2 | H27 | 109.5° | 114.0° |
| C32 | C31 | C30 | 120.8° | 121.9° |
| C31 | C32 | O3 | 123.7° | 121.3° |
| C31 | C30 | C29 | 119.6° | 119.5° |
| C31 | C30 | H34 | 120.2° | 120.2° |
| C30 | C29 | H33 | 120.0° | 119.7° |
| C29 | C30 | H34 | 120.2° | 120.3° |
| C22 | C23 | C33 | 109.6° | 109.5° |
| C23 | C22 | C21 | 111.7° | 109.3° |
| C23 | C22 | H26 | 108.9° | 109.4° |
| C23 | C22 | H25 | 108.9° | 109.5° |
| C23 | C33 | C34 | 112.1° | 109.3° |
| C23 | C33 | H35 | 108.8° | 109.5° |
| C23 | C33 | H36 | 108.8° | 109.5° |
| C22 | C21 | N2 | 110.0° | 108.8° |
| C22 | C21 | H24 | 109.4° | 109.6° |
| C22 | C21 | H23 | 109.3° | 109.7° |
| C21 | C22 | H26 | 108.9° | 109.5° |
| C21 | C22 | H25 | 108.9° | 109.5° |
| C21 | N2 | C34 | 112.2° | 118.7° |
| C21 | N2 | C1 | 123.8° | 120.6° |
| N2 | C21 | H24 | 109.3° | 109.6° |
| N2 | C21 | H23 | 109.3° | 109.6° |
| C33 | C34 | N2 | 109.6° | 108.8° |
| C34 | C33 | H35 | 108.8° | 109.5° |
| C34 | C33 | H36 | 108.8° | 109.5° |
| C33 | C34 | H37 | 109.4° | 109.6° |
| C33 | C34 | H38 | 109.4° | 109.5° |
| C34 | N2 | C1 | 124.0° | 120.6° |
| N2 | C34 | H37 | 109.4° | 109.6° |
| N2 | C34 | H38 | 109.4° | 109.6° |
| N2 | C1 | O1 | 119.6° | 120.0° |
| N2 | C1 | C2 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C18 | C17 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H20 | 119.9° | 120.0° |
| C18 | C19 | H21 | 119.9° | 120.0° |
| C17 | C16 | C15 | 121.3° | 120.0° |
| C16 | C17 | H19 | 120.0° | 120.1° |
| C17 | C16 | H18 | 119.4° | 119.9° |
| C19 | C20 | C15 | 120.5° | 120.0° |
| C19 | C20 | H22 | 119.8° | 120.0° |
| C20 | C19 | H21 | 119.9° | 120.0° |
| O1 | C1 | C2 | 120.3° | 120.0° |
| C1 | C2 | C14 | 110.7° | 109.5° |
| C1 | C2 | C3 | 108.6° | 109.5° |
| C1 | C2 | H1 | 109.1° | 109.5° |
| C16 | C15 | C20 | 117.9° | 120.0° |
| C16 | C15 | C14 | 121.6° | 120.0° |
| C15 | C16 | H18 | 119.4° | 120.0° |
| C20 | C15 | C14 | 120.4° | 120.0° |
| C15 | C20 | H22 | 119.7° | 120.0° |
| C15 | C14 | C2 | 114.3° | 109.5° |
| C15 | C14 | C13 | 110.8° | 109.5° |
| C15 | C14 | H17 | 107.5° | 109.5° |
| C14 | C2 | C3 | 111.1° | 109.1° |
| C2 | C14 | C13 | 109.2° | 109.3° |
| C14 | C2 | H1 | 108.6° | 109.5° |
| C2 | C14 | H17 | 107.2° | 109.5° |
| C2 | C3 | C4 | 113.1° | 109.3° |
| C3 | C2 | H1 | 108.8° | 109.6° |
| C2 | C3 | H2 | 108.6° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C14 | C13 | N1 | 106.2° | 109.5° |
| C14 | C13 | H16 | 110.3° | 109.4° |
| C14 | C13 | H15 | 110.3° | 109.5° |
| C13 | C14 | H17 | 107.5° | 109.5° |
| C3 | C4 | N1 | 111.0° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.4° |
| C3 | C4 | H5 | 109.1° | 109.4° |
| C4 | C3 | H2 | 108.5° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C13 | N1 | C4 | 108.4° | 111.2° |
| C13 | N1 | C5 | 111.1° | 111.0° |
| N1 | C13 | H16 | 110.3° | 109.4° |
| N1 | C13 | H15 | 110.3° | 109.5° |
| C4 | N1 | C5 | 112.6° | 111.0° |
| N1 | C4 | H4 | 109.1° | 109.4° |
| N1 | C4 | H5 | 109.1° | 109.5° |
| N1 | C5 | C6 | 112.7° | 109.5° |
| N1 | C5 | H6 | 108.7° | 109.5° |
| N1 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | C7 | 110.9° | 109.5° |
| C6 | C5 | H6 | 108.7° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.5° |
| C5 | C6 | H8 | 109.1° | 109.5° |
| C5 | C6 | H9 | 109.1° | 109.5° |
| C6 | C7 | C12 | 121.3° | 120.0° |
| C6 | C7 | C8 | 120.4° | 120.0° |
| C7 | C6 | H8 | 109.1° | 109.4° |
| C7 | C6 | H9 | 109.1° | 109.5° |
| C7 | C12 | C11 | 120.5° | 120.0° |
| C12 | C7 | C8 | 118.3° | 120.0° |
| C7 | C12 | H14 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C12 | C11 | H13 | 119.7° | 120.0° |
| C11 | C12 | H14 | 119.8° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.0° |
| C7 | C8 | H10 | 119.6° | 120.0° |
| C11 | C10 | C9 | 120.0° | 120.0° |
| C11 | C10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H13 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C9 | C8 | H10 | 119.6° | 120.0° |
| C8 | C9 | H11 | 120.0° | 120.0° |
| C9 | C10 | H12 | 120.0° | 120.0° |
| C10 | C9 | H11 | 120.1° | 120.0° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H16 | C13 | H15 | 109.5° | 109.5° |
| H24 | C21 | H23 | 109.5° | 109.6° |
| H26 | C22 | H25 | 109.4° | 109.5° |
| H29 | C24 | H28 | 109.5° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.6° |
| H35 | C33 | H36 | 109.5° | 109.5° |
| H37 | C34 | H38 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C25 | N3 | H30 | 180.0° | 179.9° |
| C25 | N4 | C26 | C27 | 179.7° | 179.9° |
| C25 | N4 | C26 | C31 | 0.3° | 0.3° |
| N4 | C25 | N3 | C24 | 179.3° | 179.9° |
| N4 | C25 | N3 | C32 | 0.2° | 0.2° |
| C26 | N4 | C25 | N3 | 0.1° | 0.1° |
| N4 | C26 | C27 | C31 | 179.4° | 179.8° |
| N4 | C26 | C27 | C28 | 179.2° | 179.7° |
| N4 | C26 | C31 | C32 | 0.5° | 0.1° |
| N4 | C26 | C31 | C30 | 179.6° | 180.0° |
| C26 | N4 | C25 | H30 | 180.0° | 180.0° |
| N4 | C26 | C27 | H31 | 0.8° | 0.3° |
| C25 | N3 | C24 | C32 | 179.2° | 179.8° |
| C25 | N3 | C24 | C23 | 85.2° | 89.8° |
| C25 | N3 | C32 | C31 | 0.0° | 0.3° |
| C25 | N3 | C32 | O3 | 179.6° | 179.8° |
| C25 | N3 | C24 | H29 | 154.6° | 30.2° |
| C25 | N3 | C24 | H28 | 35.0° | 150.2° |
| C26 | C27 | C28 | H31 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C27 | C26 | C31 | C32 | 179.9° | 180.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.2° |
| C26 | C27 | C28 | H32 | 179.6° | 179.8° |
| C28 | C27 | C26 | C31 | 0.2° | 0.1° |
| C27 | C28 | C29 | H32 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.2° |
| C27 | C28 | C29 | H33 | 179.9° | 179.8° |
| C26 | C31 | C32 | N3 | 0.4° | 0.1° |
| C26 | C31 | C32 | C30 | 179.8° | 179.9° |
| C26 | C31 | C32 | O3 | 179.9° | 179.9° |
| C26 | C31 | C30 | C29 | 0.6° | 0.4° |
| C31 | C26 | C27 | H31 | 179.8° | 179.9° |
| C26 | C31 | C30 | H34 | 179.5° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.4° |
| C28 | C29 | C30 | H33 | 180.0° | 180.0° |
| C29 | C28 | C27 | H31 | 179.6° | 179.9° |
| C28 | C29 | C30 | H34 | 179.6° | 180.0° |
| N3 | C24 | C23 | H29 | 120.2° | 120.0° |
| N3 | C24 | C23 | H28 | 120.2° | 120.0° |
| N3 | C24 | C23 | O2 | 62.4° | 60.0° |
| C24 | N3 | C32 | C31 | 179.1° | 180.0° |
| C24 | N3 | C32 | O3 | 0.5° | 0.0° |
| N3 | C24 | C23 | C22 | 177.2° | 180.0° |
| N3 | C24 | C23 | C33 | 57.3° | 59.9° |
| N3 | C24 | H29 | H28 | 119.4° | 120.0° |
| C24 | N3 | C25 | H30 | 0.7° | 0.1° |
| C32 | N3 | C24 | C23 | 93.9° | 90.0° |
| N3 | C32 | C31 | O3 | 179.5° | 180.0° |
| N3 | C32 | C31 | C30 | 179.8° | 179.8° |
| C32 | N3 | C24 | H29 | 26.3° | 150.0° |
| C32 | N3 | C24 | H28 | 145.8° | 30.0° |
| C32 | N3 | C25 | H30 | 179.8° | 179.7° |
| C24 | C23 | O2 | C22 | 119.7° | 120.0° |
| C24 | C23 | O2 | C33 | 123.9° | 119.9° |
| C24 | C23 | C22 | C33 | 127.9° | 120.0° |
| C24 | C23 | C22 | C21 | 179.0° | 178.6° |
| C24 | C23 | C33 | C34 | 179.3° | 178.6° |
| C24 | C23 | C22 | H26 | 60.7° | 58.7° |
| C24 | C23 | C22 | H25 | 58.6° | 61.4° |
| C23 | C24 | H29 | H28 | 119.4° | 120.0° |
| C24 | C23 | O2 | H27 | 180.0° | 60.0° |
| C24 | C23 | C33 | H35 | 60.3° | 58.7° |
| C24 | C23 | C33 | H36 | 59.0° | 61.4° |
| O2 | C23 | C22 | C33 | 114.8° | 120.0° |
| O2 | C23 | C22 | C21 | 61.7° | 58.6° |
| O2 | C23 | C33 | C34 | 60.3° | 58.7° |
| O2 | C23 | C22 | H26 | 177.9° | 61.3° |
| O2 | C23 | C22 | H25 | 58.6° | 178.6° |
| O2 | C23 | C24 | H29 | 177.4° | 179.9° |
| O2 | C23 | C24 | H28 | 57.8° | 60.0° |
| O2 | C23 | C33 | H35 | 60.1° | 61.3° |
| O2 | C23 | C33 | H36 | 179.3° | 178.6° |
| C32 | C31 | C30 | C29 | 179.6° | 179.7° |
| C32 | C31 | C30 | H34 | 0.4° | 0.1° |
| C30 | C31 | C32 | O3 | 0.3° | 0.2° |
| C31 | C30 | C29 | H34 | 180.0° | 179.6° |
| C31 | C30 | C29 | H33 | 179.6° | 179.6° |
| C30 | C29 | C28 | H32 | 179.9° | 179.9° |
| C23 | C22 | C21 | H26 | 120.3° | 119.9° |
| C23 | C22 | C21 | H25 | 120.4° | 120.0° |
| C23 | C22 | C21 | N2 | 56.9° | 54.7° |
| C22 | C23 | C33 | C34 | 52.6° | 61.4° |
| C23 | C22 | C21 | H24 | 177.0° | 174.4° |
| C23 | C22 | C21 | H23 | 63.2° | 65.2° |
| C23 | C22 | H26 | H25 | 119.0° | 120.1° |
| C22 | C23 | C24 | H29 | 62.6° | 59.9° |
| C22 | C23 | C24 | H28 | 57.0° | 60.0° |
| C22 | C23 | O2 | H27 | 60.3° | 180.0° |
| C22 | C23 | C33 | H35 | 173.0° | 178.7° |
| C22 | C23 | C33 | H36 | 67.8° | 58.6° |
| C33 | C23 | C22 | C21 | 53.1° | 61.4° |
| C23 | C33 | C34 | H35 | 120.4° | 120.0° |
| C23 | C33 | C34 | H36 | 120.4° | 119.9° |
| C23 | C33 | C34 | N2 | 55.5° | 54.6° |
| C33 | C23 | C22 | H26 | 67.3° | 178.7° |
| C33 | C23 | C22 | H25 | 173.4° | 58.6° |
| C33 | C23 | C24 | H29 | 62.9° | 60.1° |
| C33 | C23 | C24 | H28 | 177.6° | 179.9° |
| C33 | C23 | O2 | H27 | 56.1° | 59.9° |
| C23 | C33 | H35 | H36 | 118.8° | 120.1° |
| C23 | C33 | C34 | H37 | 64.6° | 174.4° |
| C23 | C33 | C34 | H38 | 175.5° | 65.2° |
| C22 | C21 | N2 | H24 | 120.1° | 119.8° |
| C22 | C21 | N2 | H23 | 120.1° | 119.9° |
| C22 | C21 | N2 | C34 | 60.4° | 53.6° |
| C22 | C21 | N2 | C1 | 119.2° | 126.4° |
| C22 | C21 | H24 | H23 | 119.8° | 120.5° |
| C21 | C22 | H26 | H25 | 119.0° | 120.1° |
| C21 | N2 | C34 | C33 | 59.4° | 53.6° |
| C21 | N2 | C34 | C1 | 179.6° | 179.9° |
| C21 | N2 | C1 | O1 | 15.0° | 5.6° |
| C21 | N2 | C1 | C2 | 165.1° | 174.4° |
| N2 | C21 | H24 | H23 | 119.7° | 120.3° |
| N2 | C21 | C22 | H26 | 63.5° | 174.6° |
| N2 | C21 | C22 | H25 | 177.2° | 65.3° |
| C21 | N2 | C34 | H37 | 60.6° | 173.4° |
| C21 | N2 | C34 | H38 | 179.4° | 66.2° |
| C33 | C34 | N2 | H37 | 120.0° | 119.9° |
| C33 | C34 | N2 | H38 | 120.0° | 119.7° |
| C33 | C34 | N2 | C1 | 120.1° | 126.4° |
| C34 | C33 | H35 | H36 | 118.8° | 120.1° |
| C33 | C34 | H37 | H38 | 119.9° | 120.3° |
| C34 | N2 | C1 | O1 | 165.5° | 174.4° |
| C34 | N2 | C1 | C2 | 14.4° | 5.5° |
| C34 | N2 | C21 | H24 | 179.5° | 173.4° |
| C34 | N2 | C21 | H23 | 59.7° | 66.4° |
| N2 | C34 | C33 | H35 | 175.9° | 174.5° |
| N2 | C34 | C33 | H36 | 64.9° | 65.4° |
| N2 | C34 | H37 | H38 | 119.9° | 120.3° |
| N2 | C1 | O1 | C2 | 180.0° | 179.9° |
| N2 | C1 | C2 | C14 | 117.1° | 145.6° |
| N2 | C1 | C2 | C3 | 120.7° | 94.8° |
| C1 | N2 | C21 | H24 | 0.9° | 6.6° |
| C1 | N2 | C21 | H23 | 120.7° | 113.7° |
| N2 | C1 | C2 | H1 | 2.3° | 25.4° |
| C1 | N2 | C34 | H37 | 119.8° | 6.5° |
| C1 | N2 | C34 | H38 | 0.1° | 113.9° |
| C17 | C18 | C19 | H20 | 180.0° | 179.8° |
| C18 | C17 | C16 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.9° | 0.2° |
| C18 | C17 | C16 | C15 | 1.5° | 0.1° |
| C18 | C17 | C16 | H18 | 178.5° | 180.0° |
| C17 | C18 | C19 | H21 | 178.1° | 180.0° |
| C19 | C18 | C17 | C16 | 1.6° | 0.2° |
| C18 | C19 | C20 | H21 | 180.0° | 179.8° |
| C18 | C19 | C20 | C15 | 2.2° | 0.1° |
| C19 | C18 | C17 | H19 | 178.4° | 179.7° |
| C18 | C19 | C20 | H22 | 177.8° | 180.0° |
| C17 | C16 | C15 | H18 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 1.7° | 0.3° |
| C17 | C16 | C15 | C14 | 179.8° | 180.0° |
| C16 | C17 | C18 | H20 | 178.4° | 180.0° |
| C19 | C20 | C15 | C16 | 2.0° | 0.3° |
| C19 | C20 | C15 | H22 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 179.8° | 180.0° |
| C20 | C19 | C18 | H20 | 178.1° | 180.0° |
| O1 | C1 | C2 | C14 | 62.9° | 34.5° |
| O1 | C1 | C2 | C3 | 59.3° | 85.2° |
| O1 | C1 | C2 | H1 | 177.6° | 154.6° |
| C1 | C2 | C14 | C15 | 63.3° | 62.5° |
| C1 | C2 | C14 | C3 | 120.7° | 119.9° |
| C1 | C2 | C14 | H1 | 119.7° | 120.2° |
| C1 | C2 | C3 | H1 | 118.5° | 120.2° |
| C1 | C2 | C14 | C13 | 172.0° | 177.6° |
| C1 | C2 | C3 | C4 | 165.1° | 177.5° |
| C1 | C2 | C3 | H2 | 44.6° | 62.5° |
| C1 | C2 | C3 | H3 | 74.3° | 57.6° |
| C1 | C2 | C14 | H17 | 55.8° | 57.6° |
| C16 | C15 | C20 | C14 | 178.2° | 179.7° |
| C16 | C15 | C14 | C2 | 60.2° | 59.7° |
| C16 | C15 | C14 | C13 | 63.7° | 60.1° |
| C15 | C16 | C17 | H19 | 178.5° | 180.0° |
| C16 | C15 | C20 | H22 | 178.0° | 179.8° |
| C16 | C15 | C14 | H17 | 179.1° | 179.8° |
| C20 | C15 | C14 | C2 | 121.8° | 120.0° |
| C20 | C15 | C14 | C13 | 114.4° | 120.2° |
| C20 | C15 | C14 | H17 | 2.9° | 0.1° |
| C20 | C15 | C16 | H18 | 178.3° | 179.7° |
| C15 | C20 | C19 | H21 | 177.8° | 179.7° |
| C15 | C14 | C2 | C13 | 124.7° | 119.9° |
| C15 | C14 | C2 | H17 | 119.1° | 120.1° |
| C15 | C14 | C2 | C3 | 176.1° | 177.6° |
| C15 | C14 | C13 | H17 | 117.3° | 120.1° |
| C15 | C14 | C13 | N1 | 167.7° | 179.2° |
| C15 | C14 | C13 | H16 | 72.9° | 60.9° |
| C15 | C14 | C13 | H15 | 48.2° | 59.1° |
| C14 | C15 | C20 | H22 | 0.2° | 0.1° |
| C15 | C14 | C2 | H1 | 56.5° | 57.6° |
| C14 | C15 | C16 | H18 | 0.2° | 0.1° |
| C14 | C2 | C3 | H1 | 119.5° | 119.9° |
| C2 | C14 | C13 | H17 | 116.1° | 120.0° |
| C14 | C2 | C3 | C4 | 43.2° | 57.7° |
| C2 | C14 | C13 | N1 | 65.6° | 59.2° |
| C2 | C14 | C13 | H16 | 53.8° | 179.2° |
| C2 | C14 | C13 | H15 | 174.9° | 60.8° |
| C14 | C2 | C3 | H2 | 77.3° | 177.6° |
| C14 | C2 | C3 | H3 | 163.8° | 62.3° |
| C3 | C2 | C14 | C13 | 51.4° | 57.7° |
| C2 | C3 | C4 | H2 | 120.5° | 119.9° |
| C2 | C3 | C4 | H3 | 120.6° | 119.9° |
| C2 | C3 | C4 | N1 | 49.0° | 59.2° |
| C2 | C3 | C4 | H4 | 169.3° | 60.8° |
| C2 | C3 | C4 | H5 | 71.2° | 179.2° |
| C2 | C3 | H2 | H3 | 118.3° | 120.1° |
| C3 | C2 | C14 | H17 | 64.9° | 62.3° |
| C14 | C13 | N1 | H16 | 119.5° | 120.0° |
| C14 | C13 | N1 | H15 | 119.5° | 120.0° |
| C14 | C13 | N1 | C4 | 72.0° | 61.8° |
| C14 | C13 | N1 | C5 | 163.8° | 174.1° |
| C14 | C13 | H16 | H15 | 121.5° | 120.0° |
| C13 | C14 | C2 | H1 | 68.2° | 62.3° |
| C3 | C4 | N1 | C13 | 63.8° | 61.7° |
| C3 | C4 | N1 | H4 | 120.3° | 120.0° |
| C3 | C4 | N1 | H5 | 120.3° | 120.0° |
| C3 | C4 | N1 | C5 | 172.9° | 174.2° |
| C3 | C4 | H4 | H5 | 119.3° | 120.0° |
| C4 | C3 | C2 | H1 | 76.3° | 62.3° |
| C4 | C3 | H2 | H3 | 118.3° | 120.1° |
| C13 | N1 | C4 | C5 | 123.3° | 124.1° |
| C13 | N1 | C5 | C6 | 152.3° | 169.7° |
| C13 | N1 | C4 | H4 | 175.9° | 58.3° |
| C13 | N1 | C4 | H5 | 56.4° | 178.3° |
| C13 | N1 | C5 | H6 | 31.9° | 70.2° |
| C13 | N1 | C5 | H7 | 87.2° | 49.7° |
| N1 | C13 | H16 | H15 | 121.5° | 120.0° |
| N1 | C13 | C14 | H17 | 50.4° | 60.8° |
| C4 | N1 | C5 | C6 | 30.5° | 66.0° |
| N1 | C4 | H4 | H5 | 119.3° | 120.0° |
| C4 | N1 | C5 | H6 | 89.9° | 54.0° |
| C4 | N1 | C5 | H7 | 151.0° | 173.9° |
| C4 | N1 | C13 | H16 | 47.5° | 178.3° |
| C4 | N1 | C13 | H15 | 168.5° | 58.3° |
| N1 | C4 | C3 | H2 | 71.5° | 179.1° |
| N1 | C4 | C3 | H3 | 169.6° | 60.8° |
| N1 | C5 | C6 | H6 | 120.5° | 120.0° |
| N1 | C5 | C6 | H7 | 120.5° | 120.1° |
| N1 | C5 | C6 | C7 | 139.6° | 180.0° |
| C5 | N1 | C4 | H4 | 52.6° | 65.9° |
| C5 | N1 | C4 | H5 | 66.9° | 54.2° |
| N1 | C5 | H6 | H7 | 118.5° | 120.0° |
| N1 | C5 | C6 | H8 | 100.2° | 60.0° |
| N1 | C5 | C6 | H9 | 19.4° | 60.0° |
| C5 | N1 | C13 | H16 | 76.8° | 54.2° |
| C5 | N1 | C13 | H15 | 44.3° | 65.8° |
| C5 | C6 | C7 | H8 | 120.2° | 120.0° |
| C5 | C6 | C7 | H9 | 120.2° | 120.0° |
| C5 | C6 | C7 | C12 | 20.1° | 90.2° |
| C5 | C6 | C7 | C8 | 158.9° | 90.0° |
| C6 | C5 | H6 | H7 | 118.6° | 120.0° |
| C5 | C6 | H8 | H9 | 119.3° | 120.0° |
| C6 | C7 | C12 | C8 | 179.0° | 179.8° |
| C6 | C7 | C12 | C11 | 179.0° | 180.0° |
| C6 | C7 | C8 | C9 | 178.8° | 180.0° |
| C7 | C6 | C5 | H6 | 19.1° | 60.0° |
| C7 | C6 | C5 | H7 | 99.9° | 59.9° |
| C7 | C6 | H8 | H9 | 119.4° | 119.9° |
| C6 | C7 | C8 | H10 | 1.2° | 0.0° |
| C6 | C7 | C12 | H14 | 1.0° | 0.1° |
| C7 | C12 | C11 | H14 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C7 | C8 | C9 | 0.2° | 0.3° |
| C12 | C7 | C6 | H8 | 140.3° | 149.7° |
| C12 | C7 | C6 | H9 | 100.1° | 29.8° |
| C12 | C7 | C8 | H10 | 179.8° | 179.8° |
| C7 | C12 | C11 | H13 | 179.6° | 179.8° |
| C11 | C12 | C7 | C8 | 0.0° | 0.3° |
| C12 | C11 | C10 | H13 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 0.6° | 0.3° |
| C12 | C11 | C10 | H12 | 179.5° | 180.0° |
| C7 | C8 | C9 | H10 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C7 | C6 | H8 | 38.7° | 30.0° |
| C8 | C7 | C6 | H9 | 80.9° | 150.0° |
| C7 | C8 | C9 | H11 | 180.0° | 179.9° |
| C8 | C7 | C12 | H14 | 180.0° | 179.6° |
| C11 | C10 | C9 | C8 | 0.4° | 0.3° |
| C11 | C10 | C9 | H12 | 180.0° | 179.8° |
| C11 | C10 | C9 | H11 | 179.7° | 179.8° |
| C10 | C11 | C12 | H14 | 179.6° | 179.9° |
| C8 | C9 | C10 | H11 | 180.0° | 179.9° |
| C8 | C9 | C10 | H12 | 179.7° | 180.0° |
| C10 | C9 | C8 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | H13 | 179.4° | 179.9° |
| H4 | C4 | C3 | H2 | 48.7° | 59.1° |
| H4 | C4 | C3 | H3 | 70.2° | 179.3° |
| H5 | C4 | C3 | H2 | 168.2° | 60.9° |
| H5 | C4 | C3 | H3 | 49.3° | 59.3° |
| H6 | C5 | C6 | H8 | 139.4° | 180.0° |
| H6 | C5 | C6 | H9 | 101.1° | 60.0° |
| H7 | C5 | C6 | H8 | 20.3° | 60.1° |
| H7 | C5 | C6 | H9 | 139.9° | 180.0° |
| H10 | C8 | C9 | H11 | 0.0° | 0.0° |
| H12 | C10 | C9 | H11 | 0.3° | 0.1° |
| H12 | C10 | C11 | H13 | 0.5° | 0.2° |
| H16 | C13 | C14 | H17 | 169.9° | 59.2° |
| H15 | C13 | C14 | H17 | 69.1° | 179.2° |
| H19 | C17 | C16 | H18 | 1.4° | 0.1° |
| H19 | C17 | C18 | H20 | 1.6° | 0.0° |
| H22 | C20 | C19 | H21 | 2.2° | 0.2° |
| H24 | C21 | C22 | H26 | 56.6° | 65.7° |
| H24 | C21 | C22 | H25 | 62.7° | 54.4° |
| H23 | C21 | C22 | H26 | 176.5° | 54.7° |
| H23 | C21 | C22 | H25 | 57.2° | 174.8° |
| H32 | C28 | C27 | H31 | 0.4° | 0.2° |
| H32 | C28 | C29 | H33 | 0.1° | 0.1° |
| H1 | C2 | C3 | H2 | 163.2° | 57.7° |
| H1 | C2 | C3 | H3 | 44.2° | 177.8° |
| H1 | C2 | C14 | H17 | 175.5° | 177.7° |
| H13 | C11 | C12 | H14 | 0.4° | 0.3° |
| H20 | C18 | C19 | H21 | 2.0° | 0.2° |
| H33 | C29 | C30 | H34 | 0.4° | 0.0° |
| H35 | C33 | C34 | H37 | 55.8° | 65.6° |
| H35 | C33 | C34 | H38 | 64.1° | 54.8° |
| H36 | C33 | C34 | H37 | 175.1° | 54.5° |
| H36 | C33 | C34 | H38 | 55.1° | 174.9° |
