A1D8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C21 | doub | 1.21Å | 1.23Å | |
| C21 | N4 | sing | 1.34Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| C24 | C22 | sing | 1.52Å | 1.51Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C26 | N6 | doub | 1.28Å | 1.31Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | N5 | sing | 1.48Å | 1.45Å | |
| C20 | C23 | sing | 1.54Å | 1.54Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| N5 | C27 | sing | 1.35Å | 1.33Å | |
| O3 | C10 | doub | 1.22Å | 1.24Å | |
| C19 | N3 | sing | 1.37Å | 1.34Å | |
| C19 | O4 | doub | 1.21Å | 1.24Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| C27 | C12 | sing | 1.48Å | 1.53Å | |
| C27 | O5 | doub | 1.23Å | 1.24Å | |
| C12 | N2 | sing | 1.46Å | 1.47Å | |
| C12 | C13 | sing | 1.54Å | 1.50Å | |
| C16 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | N2 | sing | 1.35Å | 1.35Å | |
| C10 | C9 | sing | 1.50Å | 1.53Å | |
| O1 | C7 | sing | 1.45Å | 1.45Å | |
| O1 | C8 | sing | 1.35Å | 1.34Å | |
| N1 | C8 | sing | 1.35Å | 1.34Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| N2 | C15 | sing | 1.46Å | 1.47Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | C28 | sing | 1.52Å | 1.52Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C30 | sing | 1.53Å | 1.51Å | |
| C28 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C18 | sing | 1.55Å | 1.53Å | |
| C11 | C17 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.54Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C20 | H24 | sing | 1.08Å | 1.10Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C22 | H26 | sing | 1.10Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.10Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| N5 | H33 | sing | 0.98Å | 1.00Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C21 | N4 | 127.1° | 124.7° |
| O6 | C21 | C22 | 125.2° | 124.7° |
| N4 | C21 | C22 | 107.1° | 110.6° |
| C21 | N4 | C20 | 114.0° | 112.6° |
| C21 | N4 | H25 | 123.0° | 124.0° |
| C21 | C22 | C24 | 113.5° | 112.0° |
| C21 | C22 | C23 | 103.8° | 105.8° |
| C21 | C22 | H26 | 101.9° | 108.2° |
| N4 | C20 | C23 | 103.6° | 106.6° |
| N4 | C20 | C19 | 115.2° | 108.5° |
| N4 | C20 | H24 | 109.7° | 110.7° |
| C20 | N4 | H25 | 123.0° | 123.4° |
| C22 | C24 | C25 | 120.4° | 113.4° |
| C24 | C22 | C23 | 130.0° | 112.3° |
| C24 | C22 | H26 | 101.9° | 110.6° |
| C22 | C24 | H29 | 106.7° | 109.0° |
| C22 | C24 | H30 | 106.7° | 108.9° |
| C24 | C25 | C26 | 109.0° | 109.6° |
| C24 | C25 | N5 | 107.7° | 107.9° |
| C25 | C24 | H29 | 106.7° | 108.5° |
| C25 | C24 | H30 | 106.7° | 108.8° |
| C24 | C25 | H31 | 109.5° | 110.6° |
| C22 | C23 | C20 | 105.3° | 104.2° |
| C23 | C22 | H26 | 101.8° | 107.7° |
| C22 | C23 | H27 | 110.5° | 111.0° |
| C22 | C23 | H28 | 110.5° | 110.0° |
| N6 | C26 | C25 | 120.7° | 120.0° |
| N6 | C26 | H32 | 119.7° | 120.0° |
| C26 | N6 | H34 | 112.0° | 119.9° |
| C26 | C25 | N5 | 110.0° | 108.5° |
| C26 | C25 | H31 | 109.8° | 110.1° |
| C25 | C26 | H32 | 119.6° | 120.0° |
| C25 | N5 | C27 | 122.1° | 121.8° |
| N5 | C25 | H31 | 110.7° | 110.1° |
| C25 | N5 | H33 | 118.9° | 118.6° |
| C23 | C20 | C19 | 110.6° | 108.8° |
| C23 | C20 | H24 | 108.6° | 111.5° |
| C20 | C23 | H27 | 110.5° | 111.0° |
| C20 | C23 | H28 | 110.5° | 110.8° |
| C20 | C19 | N3 | 116.7° | 116.4° |
| C20 | C19 | O4 | 119.6° | 121.8° |
| C19 | C20 | H24 | 108.8° | 110.6° |
| N5 | C27 | C12 | 115.4° | 132.0° |
| N5 | C27 | O5 | 122.5° | 114.1° |
| C27 | N5 | H33 | 119.0° | 119.6° |
| O3 | C10 | N2 | 120.5° | 117.1° |
| O3 | C10 | C9 | 122.7° | 122.3° |
| N3 | C19 | O4 | 123.6° | 121.8° |
| C19 | N3 | C16 | 123.0° | 115.1° |
| C19 | N3 | H23 | 118.5° | 120.1° |
| N3 | C16 | C11 | 116.2° | 114.1° |
| N3 | C16 | H15 | 107.8° | 109.2° |
| N3 | C16 | H16 | 107.8° | 108.1° |
| C16 | N3 | H23 | 118.5° | 124.8° |
| C12 | C27 | O5 | 122.0° | 113.9° |
| C27 | C12 | N2 | 111.7° | 109.2° |
| C27 | C12 | C13 | 110.3° | 108.5° |
| C27 | C12 | H10 | 109.8° | 111.2° |
| N2 | C12 | C13 | 104.0° | 107.2° |
| C12 | N2 | C10 | 119.8° | 123.4° |
| C12 | N2 | C15 | 114.7° | 109.2° |
| N2 | C12 | H10 | 110.7° | 109.6° |
| C12 | C13 | C28 | 117.4° | 121.4° |
| C12 | C13 | C14 | 108.9° | 105.9° |
| C13 | C12 | H10 | 110.2° | 111.0° |
| C12 | C13 | H11 | 118.9° | 116.9° |
| C16 | C11 | C9 | 113.0° | 112.2° |
| C16 | C11 | C18 | 108.3° | 107.4° |
| C16 | C11 | C17 | 110.3° | 111.5° |
| C11 | C16 | H15 | 107.7° | 109.3° |
| C11 | C16 | H16 | 107.7° | 108.3° |
| N2 | C10 | C9 | 116.8° | 120.6° |
| C10 | N2 | C15 | 125.5° | 127.5° |
| C10 | C9 | N1 | 107.7° | 110.5° |
| C10 | C9 | C11 | 115.6° | 111.8° |
| C10 | C9 | H9 | 106.4° | 109.4° |
| C7 | O1 | C8 | 114.8° | 117.0° |
| O1 | C7 | C4 | 107.4° | 109.5° |
| O1 | C7 | H6 | 110.0° | 109.5° |
| O1 | C7 | H7 | 110.0° | 109.5° |
| O1 | C8 | N1 | 110.5° | 120.0° |
| O1 | C8 | O2 | 124.4° | 120.0° |
| C8 | N1 | C9 | 119.1° | 120.0° |
| N1 | C8 | O2 | 125.0° | 120.0° |
| C8 | N1 | H8 | 120.4° | 120.0° |
| N1 | C9 | C11 | 113.0° | 107.9° |
| C9 | N1 | H8 | 120.4° | 120.1° |
| N1 | C9 | H9 | 107.3° | 108.7° |
| C29 | C28 | C13 | 124.2° | 118.2° |
| C29 | C28 | C30 | 112.2° | 114.9° |
| C29 | C28 | C14 | 115.7° | 118.4° |
| C28 | C29 | H35 | 109.5° | 109.5° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| N2 | C15 | C14 | 103.9° | 108.1° |
| N2 | C15 | H13 | 110.9° | 111.1° |
| N2 | C15 | H14 | 110.8° | 109.7° |
| C7 | C4 | C3 | 120.3° | 120.0° |
| C7 | C4 | C5 | 120.7° | 120.0° |
| C4 | C7 | H6 | 110.0° | 109.4° |
| C4 | C7 | H7 | 110.0° | 109.5° |
| C28 | C13 | C14 | 60.2° | 59.8° |
| C13 | C28 | C30 | 118.7° | 117.0° |
| C13 | C28 | C14 | 59.9° | 60.5° |
| C28 | C13 | H11 | 118.6° | 118.7° |
| C13 | C14 | C28 | 59.9° | 59.7° |
| C13 | C14 | C15 | 108.2° | 105.9° |
| C14 | C13 | H11 | 118.6° | 119.5° |
| C13 | C14 | H12 | 118.5° | 120.3° |
| C9 | C11 | C18 | 108.9° | 107.3° |
| C9 | C11 | C17 | 108.4° | 111.1° |
| C11 | C9 | H9 | 106.3° | 108.4° |
| C4 | C3 | C2 | 120.3° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C30 | C28 | C14 | 115.4° | 117.1° |
| C28 | C30 | H38 | 109.5° | 109.5° |
| C28 | C30 | H39 | 109.5° | 109.5° |
| C28 | C30 | H40 | 109.5° | 109.5° |
| C28 | C14 | C15 | 118.6° | 118.6° |
| C28 | C14 | H12 | 118.4° | 121.8° |
| C18 | C11 | C17 | 107.8° | 107.0° |
| C11 | C18 | H20 | 109.5° | 109.5° |
| C11 | C18 | H21 | 109.4° | 109.5° |
| C11 | C18 | H22 | 109.5° | 109.5° |
| C11 | C17 | H17 | 109.5° | 109.5° |
| C11 | C17 | H18 | 109.5° | 109.5° |
| C11 | C17 | H19 | 109.5° | 109.5° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H4 | 119.7° | 120.1° |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C15 | C14 | H12 | 118.6° | 116.3° |
| C14 | C15 | H13 | 110.9° | 108.7° |
| C14 | C15 | H14 | 110.9° | 110.1° |
| C5 | C6 | C1 | 119.8° | 120.0° |
| C6 | C5 | H4 | 119.7° | 120.0° |
| C5 | C6 | H5 | 120.1° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | H5 | 120.1° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.1° |
| H15 | C16 | H16 | 109.5° | 107.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.5° | 109.8° |
| H29 | C24 | H30 | 109.5° | 108.1° |
| H35 | C29 | H36 | 109.4° | 109.5° |
| H35 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.4° |
| H38 | C30 | H40 | 109.5° | 109.4° |
| H39 | C30 | H40 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C21 | N4 | C22 | 171.5° | 179.7° |
| O6 | C21 | N4 | C20 | 166.9° | 177.6° |
| O6 | C21 | C22 | C24 | 17.0° | 57.0° |
| O6 | C21 | C22 | C23 | 162.8° | 179.7° |
| O6 | C21 | N4 | H25 | 13.1° | 3.8° |
| O6 | C21 | C22 | H26 | 91.7° | 65.1° |
| C21 | N4 | C20 | H25 | 180.0° | 178.6° |
| N4 | C21 | C22 | C24 | 171.4° | 123.3° |
| N4 | C21 | C22 | C23 | 25.5° | 0.6° |
| C21 | N4 | C20 | C23 | 8.3° | 3.6° |
| C21 | N4 | C20 | C19 | 112.7° | 113.5° |
| C21 | N4 | C20 | H24 | 124.1° | 125.0° |
| N4 | C21 | C22 | H26 | 79.9° | 114.6° |
| C22 | C21 | N4 | C20 | 21.6° | 2.7° |
| C21 | C22 | C24 | C23 | 134.6° | 118.9° |
| C21 | C22 | C24 | H26 | 108.7° | 120.8° |
| C21 | C22 | C24 | C25 | 157.0° | 39.4° |
| C21 | C22 | C23 | H26 | 105.5° | 115.5° |
| C21 | C22 | C23 | C20 | 19.9° | 1.5° |
| C22 | C21 | N4 | H25 | 158.4° | 175.9° |
| C21 | C22 | C23 | H27 | 139.3° | 121.0° |
| C21 | C22 | C23 | H28 | 99.4° | 117.3° |
| C21 | C22 | C24 | H29 | 81.4° | 160.4° |
| C21 | C22 | C24 | H30 | 35.5° | 81.8° |
| N4 | C20 | C23 | C22 | 8.5° | 2.9° |
| N4 | C20 | C23 | C19 | 124.0° | 116.8° |
| N4 | C20 | C23 | H24 | 116.6° | 120.9° |
| N4 | C20 | C19 | H24 | 123.6° | 121.6° |
| N4 | C20 | C19 | N3 | 65.4° | 1.2° |
| N4 | C20 | C19 | O4 | 118.7° | 179.2° |
| N4 | C20 | C23 | H27 | 127.9° | 122.4° |
| N4 | C20 | C23 | H28 | 110.8° | 115.4° |
| C22 | C24 | C25 | H29 | 121.5° | 121.2° |
| C22 | C24 | C25 | H30 | 121.5° | 121.4° |
| C24 | C22 | C23 | H26 | 116.7° | 122.0° |
| C22 | C24 | C25 | C26 | 136.7° | 97.3° |
| C22 | C24 | C25 | N5 | 104.0° | 144.7° |
| C24 | C22 | C23 | C20 | 157.7° | 120.9° |
| C24 | C22 | C23 | H27 | 83.0° | 1.4° |
| C24 | C22 | C23 | H28 | 38.4° | 120.2° |
| C22 | C24 | H29 | H30 | 115.0° | 118.3° |
| C22 | C24 | C25 | H31 | 16.5° | 24.2° |
| C25 | C24 | C22 | C23 | 22.4° | 79.4° |
| C24 | C25 | C26 | N6 | 111.2° | 120.0° |
| C24 | C25 | C26 | N5 | 117.9° | 117.6° |
| C24 | C25 | C26 | H31 | 120.0° | 121.9° |
| C24 | C25 | N5 | H31 | 119.8° | 120.8° |
| C24 | C25 | N5 | C27 | 102.3° | 170.4° |
| C25 | C24 | C22 | H26 | 94.3° | 160.2° |
| C25 | C24 | H29 | H30 | 115.1° | 117.8° |
| C24 | C25 | C26 | H32 | 68.8° | 60.0° |
| C24 | C25 | N5 | H33 | 77.7° | 9.4° |
| C22 | C23 | C20 | H27 | 119.4° | 119.5° |
| C22 | C23 | C20 | H28 | 119.3° | 118.3° |
| C22 | C23 | C20 | C19 | 132.5° | 113.9° |
| C22 | C23 | C20 | H24 | 108.1° | 123.9° |
| C22 | C23 | H27 | H28 | 122.0° | 121.8° |
| C23 | C22 | C24 | H29 | 143.9° | 41.5° |
| C23 | C22 | C24 | H30 | 99.2° | 159.3° |
| N6 | C26 | C25 | H32 | 180.0° | 179.9° |
| N6 | C26 | C25 | N5 | 130.9° | 2.5° |
| N6 | C26 | C25 | H31 | 8.8° | 118.1° |
| C26 | C25 | N5 | H31 | 121.6° | 120.5° |
| C26 | C25 | N5 | C27 | 139.0° | 71.0° |
| C26 | C25 | C24 | H29 | 15.2° | 23.9° |
| C26 | C25 | C24 | H30 | 101.8° | 141.3° |
| C26 | C25 | N5 | H33 | 41.0° | 109.3° |
| C25 | C26 | N6 | H34 | 180.0° | 180.0° |
| C25 | N5 | C27 | H33 | 180.0° | 179.7° |
| C25 | N5 | C27 | C12 | 170.9° | 59.1° |
| C25 | N5 | C27 | O5 | 6.2° | 120.9° |
| N5 | C25 | C24 | H29 | 134.5° | 94.1° |
| N5 | C25 | C24 | H30 | 17.6° | 23.3° |
| N5 | C25 | C26 | H32 | 49.1° | 177.6° |
| C23 | C20 | C19 | H24 | 119.3° | 122.8° |
| C23 | C20 | C19 | N3 | 51.7° | 114.4° |
| C23 | C20 | C19 | O4 | 124.2° | 65.1° |
| C23 | C20 | N4 | H25 | 171.8° | 175.0° |
| C20 | C23 | C22 | H26 | 85.6° | 117.0° |
| C20 | C23 | H27 | H28 | 121.9° | 122.8° |
| C20 | C19 | N3 | O4 | 175.7° | 179.6° |
| C20 | C19 | N3 | C16 | 177.6° | 176.9° |
| C20 | C19 | N3 | H23 | 2.4° | 2.6° |
| C19 | C20 | N4 | H25 | 67.3° | 68.0° |
| C19 | C20 | C23 | H27 | 108.1° | 5.6° |
| C19 | C20 | C23 | H28 | 13.2° | 127.8° |
| N5 | C27 | C12 | O5 | 177.1° | 179.9° |
| N5 | C27 | C12 | N2 | 145.4° | 103.3° |
| N5 | C27 | C12 | C13 | 99.4° | 140.2° |
| N5 | C27 | C12 | H10 | 22.2° | 17.8° |
| C27 | N5 | C25 | H31 | 17.4° | 49.5° |
| O3 | C10 | N2 | C12 | 1.8° | 7.8° |
| O3 | C10 | N2 | C9 | 178.7° | 179.9° |
| O3 | C10 | C9 | N1 | 62.3° | 120.6° |
| O3 | C10 | N2 | C15 | 177.2° | 171.4° |
| O3 | C10 | C9 | C11 | 65.2° | 0.4° |
| O3 | C10 | C9 | H9 | 177.1° | 119.7° |
| C19 | N3 | C16 | H23 | 180.0° | 179.4° |
| C19 | N3 | C16 | C11 | 113.3° | 168.9° |
| C19 | N3 | C16 | H15 | 125.7° | 68.4° |
| C19 | N3 | C16 | H16 | 7.6° | 48.3° |
| N3 | C19 | C20 | H24 | 171.0° | 122.8° |
| O4 | C19 | N3 | C16 | 6.7° | 2.7° |
| O4 | C19 | N3 | H23 | 173.3° | 177.8° |
| O4 | C19 | C20 | H24 | 4.9° | 57.6° |
| N3 | C16 | C11 | H15 | 121.0° | 122.6° |
| N3 | C16 | C11 | H16 | 121.0° | 120.5° |
| N3 | C16 | C11 | C9 | 83.6° | 92.5° |
| N3 | C16 | C11 | C18 | 37.2° | 149.8° |
| N3 | C16 | C11 | C17 | 154.9° | 32.9° |
| N3 | C16 | H15 | H16 | 117.0° | 117.1° |
| C27 | C12 | N2 | C13 | 119.0° | 117.4° |
| C27 | C12 | N2 | H10 | 122.7° | 122.0° |
| C27 | C12 | C13 | H10 | 121.3° | 122.5° |
| C27 | C12 | N2 | C10 | 66.9° | 83.1° |
| C27 | C12 | N2 | C15 | 114.0° | 97.5° |
| C27 | C12 | C13 | C28 | 176.3° | 167.8° |
| C27 | C12 | C13 | C14 | 118.2° | 103.9° |
| C27 | C12 | C13 | H11 | 21.9° | 32.1° |
| C12 | C27 | N5 | H33 | 9.1° | 120.7° |
| O5 | C27 | C12 | N2 | 31.7° | 76.7° |
| O5 | C27 | C12 | C13 | 83.5° | 39.9° |
| O5 | C27 | C12 | H10 | 154.9° | 162.3° |
| O5 | C27 | N5 | H33 | 173.8° | 59.4° |
| N2 | C12 | C13 | H10 | 118.7° | 119.7° |
| C12 | N2 | C10 | C15 | 179.0° | 179.3° |
| C12 | N2 | C10 | C9 | 177.0° | 172.2° |
| N2 | C12 | C13 | C28 | 63.7° | 50.0° |
| N2 | C12 | C13 | C14 | 1.8° | 13.9° |
| C12 | N2 | C15 | C14 | 6.0° | 17.8° |
| N2 | C12 | C13 | H11 | 141.9° | 149.9° |
| C12 | N2 | C15 | H13 | 125.1° | 137.0° |
| C12 | N2 | C15 | H14 | 113.1° | 102.2° |
| C13 | C12 | N2 | C10 | 174.1° | 159.5° |
| C12 | C13 | C28 | C29 | 5.2° | 17.5° |
| C13 | C12 | N2 | C15 | 5.0° | 19.9° |
| C12 | C13 | C28 | C14 | 97.1° | 91.0° |
| C12 | C13 | C28 | H11 | 154.5° | 159.8° |
| C12 | C13 | C14 | H11 | 140.2° | 134.6° |
| C12 | C13 | C28 | C30 | 158.7° | 161.6° |
| C12 | C13 | C14 | C15 | 1.7° | 3.3° |
| C12 | C13 | C14 | H12 | 140.5° | 131.1° |
| C16 | C11 | C9 | C10 | 67.0° | 66.1° |
| C16 | C11 | C9 | N1 | 57.8° | 172.1° |
| C16 | C11 | C9 | C18 | 120.4° | 117.8° |
| C16 | C11 | C9 | C17 | 122.6° | 125.5° |
| C16 | C11 | C18 | C17 | 119.3° | 119.8° |
| C16 | C11 | C9 | H9 | 175.2° | 54.6° |
| C11 | C16 | H15 | H16 | 116.9° | 117.4° |
| C16 | C11 | C17 | H17 | 180.0° | 66.0° |
| C16 | C11 | C17 | H18 | 60.0° | 54.1° |
| C16 | C11 | C17 | H19 | 60.0° | 174.0° |
| C16 | C11 | C18 | H20 | 180.0° | 179.2° |
| C16 | C11 | C18 | H21 | 60.0° | 59.1° |
| C16 | C11 | C18 | H22 | 60.0° | 60.8° |
| C11 | C16 | N3 | H23 | 66.7° | 11.7° |
| N2 | C10 | C9 | N1 | 119.0° | 59.3° |
| N2 | C10 | C9 | C11 | 113.6° | 179.5° |
| C10 | N2 | C15 | C14 | 173.0° | 161.5° |
| N2 | C10 | C9 | H9 | 4.2° | 60.4° |
| C10 | N2 | C12 | H10 | 55.8° | 38.9° |
| C10 | N2 | C15 | H13 | 53.9° | 42.3° |
| C10 | N2 | C15 | H14 | 67.9° | 78.5° |
| C10 | C9 | N1 | C8 | 109.6° | 130.9° |
| C10 | C9 | N1 | C11 | 128.9° | 122.6° |
| C10 | C9 | N1 | H9 | 114.2° | 120.1° |
| C9 | C10 | N2 | C15 | 4.1° | 8.5° |
| C10 | C9 | C11 | H9 | 117.8° | 120.7° |
| C10 | C9 | C11 | C18 | 53.4° | 176.1° |
| C10 | C9 | C11 | C17 | 170.5° | 59.4° |
| C10 | C9 | N1 | H8 | 70.4° | 49.1° |
| C7 | O1 | C8 | N1 | 161.7° | 180.0° |
| O1 | C7 | C4 | H6 | 119.7° | 120.0° |
| O1 | C7 | C4 | H7 | 119.7° | 120.1° |
| C7 | O1 | C8 | O2 | 14.9° | 0.1° |
| O1 | C7 | C4 | C3 | 77.2° | 89.6° |
| O1 | C7 | C4 | C5 | 102.7° | 90.0° |
| O1 | C7 | H6 | H7 | 121.0° | 120.0° |
| O1 | C8 | N1 | O2 | 176.6° | 179.9° |
| O1 | C8 | N1 | C9 | 176.3° | 175.2° |
| C8 | O1 | C7 | C4 | 74.9° | 180.0° |
| C8 | O1 | C7 | H6 | 44.8° | 60.0° |
| C8 | O1 | C7 | H7 | 165.4° | 59.9° |
| O1 | C8 | N1 | H8 | 3.7° | 4.8° |
| C8 | N1 | C9 | H8 | 180.0° | 179.9° |
| C8 | N1 | C9 | C11 | 121.4° | 106.5° |
| C8 | N1 | C9 | H9 | 4.6° | 10.9° |
| C9 | N1 | C8 | O2 | 7.1° | 4.7° |
| N1 | C9 | C11 | H9 | 117.5° | 117.6° |
| N1 | C9 | C11 | C18 | 178.2° | 54.4° |
| N1 | C9 | C11 | C17 | 64.8° | 62.3° |
| C29 | C28 | C13 | C30 | 153.5° | 144.1° |
| C29 | C28 | C13 | C14 | 102.2° | 108.5° |
| C29 | C28 | C30 | C14 | 135.4° | 145.8° |
| C29 | C28 | C14 | C15 | 20.7° | 15.6° |
| C29 | C28 | C13 | H11 | 149.3° | 142.3° |
| C29 | C28 | C14 | H12 | 135.5° | 142.9° |
| C28 | C29 | H35 | H36 | 120.0° | 120.0° |
| C28 | C29 | H35 | H37 | 120.0° | 120.0° |
| C28 | C29 | H36 | H37 | 120.0° | 120.0° |
| C29 | C28 | C30 | H38 | 180.0° | 85.2° |
| C29 | C28 | C30 | H39 | 60.0° | 34.7° |
| C29 | C28 | C30 | H40 | 60.0° | 154.8° |
| N2 | C15 | C14 | C13 | 4.5° | 8.5° |
| N2 | C15 | C14 | C28 | 60.6° | 55.3° |
| N2 | C15 | C14 | H13 | 119.1° | 120.7° |
| N2 | C15 | C14 | H14 | 119.1° | 119.8° |
| C15 | N2 | C12 | H10 | 123.3° | 140.5° |
| N2 | C15 | C14 | H12 | 143.2° | 145.0° |
| N2 | C15 | H13 | H14 | 122.6° | 121.1° |
| C7 | C4 | C3 | C5 | 179.9° | 179.6° |
| C7 | C4 | C3 | C2 | 178.9° | 180.0° |
| C7 | C4 | C5 | C6 | 179.8° | 179.9° |
| C7 | C4 | C3 | H3 | 1.1° | 0.1° |
| C7 | C4 | C5 | H4 | 0.3° | 0.0° |
| C4 | C7 | H6 | H7 | 121.0° | 120.0° |
| O2 | C8 | N1 | H8 | 172.9° | 175.2° |
| C28 | C13 | C14 | H11 | 108.4° | 108.0° |
| C13 | C28 | C30 | C14 | 68.1° | 68.9° |
| C13 | C28 | C14 | C15 | 95.5° | 92.5° |
| C28 | C13 | C12 | H10 | 55.0° | 69.7° |
| C28 | C13 | C14 | H12 | 108.1° | 111.5° |
| C13 | C28 | C29 | H35 | 180.0° | 60.0° |
| C13 | C28 | C29 | H36 | 60.0° | 180.0° |
| C13 | C28 | C29 | H37 | 60.0° | 60.0° |
| C13 | C28 | C30 | H38 | 23.5° | 60.0° |
| C13 | C28 | C30 | H39 | 96.5° | 180.0° |
| C13 | C28 | C30 | H40 | 143.5° | 59.9° |
| C13 | C14 | C15 | H12 | 138.7° | 136.5° |
| C14 | C13 | C12 | H10 | 120.5° | 133.6° |
| C13 | C14 | C15 | H13 | 123.6° | 129.2° |
| C13 | C14 | C15 | H14 | 114.6° | 111.3° |
| C9 | C11 | C18 | C17 | 117.4° | 119.3° |
| C11 | C9 | N1 | H8 | 58.6° | 73.4° |
| C9 | C11 | C16 | H15 | 37.4° | 30.2° |
| C9 | C11 | C16 | H16 | 155.5° | 147.0° |
| C9 | C11 | C17 | H17 | 55.8° | 60.0° |
| C9 | C11 | C17 | H18 | 64.2° | 180.0° |
| C9 | C11 | C17 | H19 | 175.8° | 60.0° |
| C9 | C11 | C18 | H20 | 56.8° | 60.0° |
| C9 | C11 | C18 | H21 | 176.7° | 180.0° |
| C9 | C11 | C18 | H22 | 63.2° | 60.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C3 | C2 | H2 | 179.0° | 179.7° |
| C3 | C4 | C5 | H4 | 179.8° | 179.6° |
| C3 | C4 | C7 | H6 | 163.2° | 30.3° |
| C3 | C4 | C7 | H7 | 42.5° | 150.3° |
| C2 | C3 | C4 | C5 | 1.0° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 0.2° | 0.2° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C30 | C28 | C14 | C15 | 154.6° | 160.2° |
| C30 | C28 | C13 | H11 | 4.2° | 1.8° |
| C30 | C28 | C14 | H12 | 1.6° | 1.7° |
| C30 | C28 | C29 | H35 | 25.0° | 155.2° |
| C30 | C28 | C29 | H36 | 95.0° | 35.2° |
| C30 | C28 | C29 | H37 | 145.0° | 84.8° |
| C28 | C30 | H38 | H39 | 120.0° | 120.0° |
| C28 | C30 | H38 | H40 | 120.0° | 120.0° |
| C28 | C30 | H39 | H40 | 120.0° | 120.1° |
| C28 | C14 | C15 | H12 | 156.2° | 159.7° |
| C28 | C14 | C15 | H13 | 58.5° | 65.4° |
| C28 | C14 | C15 | H14 | 179.7° | 175.1° |
| C14 | C28 | C29 | H35 | 110.3° | 9.8° |
| C14 | C28 | C29 | H36 | 129.7° | 110.2° |
| C14 | C28 | C29 | H37 | 9.7° | 129.8° |
| C14 | C28 | C30 | H38 | 44.5° | 128.9° |
| C14 | C28 | C30 | H39 | 164.6° | 111.1° |
| C14 | C28 | C30 | H40 | 75.5° | 9.0° |
| C18 | C11 | C9 | H9 | 64.4° | 63.2° |
| C18 | C11 | C16 | H15 | 158.1° | 87.5° |
| C18 | C11 | C16 | H16 | 83.8° | 29.3° |
| C18 | C11 | C17 | H17 | 61.9° | 176.8° |
| C18 | C11 | C17 | H18 | 178.1° | 63.1° |
| C18 | C11 | C17 | H19 | 58.1° | 56.8° |
| C11 | C18 | H20 | H21 | 119.9° | 120.1° |
| C11 | C18 | H20 | H22 | 120.0° | 120.0° |
| C11 | C18 | H21 | H22 | 120.0° | 120.0° |
| C17 | C11 | C9 | H9 | 52.7° | 179.9° |
| C17 | C11 | C16 | H15 | 84.1° | 155.5° |
| C17 | C11 | C16 | H16 | 33.9° | 87.6° |
| C11 | C17 | H17 | H18 | 120.0° | 120.0° |
| C11 | C17 | H17 | H19 | 120.0° | 120.0° |
| C11 | C17 | H18 | H19 | 120.0° | 120.0° |
| C17 | C11 | C18 | H20 | 60.6° | 59.4° |
| C17 | C11 | C18 | H21 | 59.3° | 60.7° |
| C17 | C11 | C18 | H22 | 179.3° | 179.4° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C5 | C4 | C3 | H3 | 179.0° | 179.8° |
| C4 | C5 | C6 | H5 | 179.3° | 179.7° |
| C5 | C4 | C7 | H6 | 16.9° | 150.0° |
| C5 | C4 | C7 | H7 | 137.6° | 30.1° |
| C2 | C1 | C6 | C5 | 0.6° | 0.2° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 179.0° | 180.0° |
| C2 | C1 | C6 | H5 | 179.4° | 179.9° |
| C15 | C14 | C13 | H11 | 138.5° | 137.9° |
| C14 | C15 | H13 | H14 | 122.6° | 120.1° |
| C5 | C6 | C1 | H5 | 180.0° | 179.7° |
| C5 | C6 | C1 | H1 | 179.4° | 179.7° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | H4 | 179.3° | 179.9° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H1 | C1 | C6 | H5 | 0.6° | 0.1° |
| H2 | C2 | C3 | H3 | 1.0° | 0.2° |
| H4 | C5 | C6 | H5 | 0.6° | 0.3° |
| H8 | N1 | C9 | H9 | 175.4° | 169.2° |
| H10 | C12 | C13 | H11 | 99.4° | 90.4° |
| H11 | C13 | C14 | H12 | 0.3° | 3.5° |
| H12 | C14 | C15 | H13 | 97.7° | 94.3° |
| H12 | C14 | C15 | H14 | 24.1° | 25.2° |
| H15 | C16 | N3 | H23 | 54.3° | 111.0° |
| H16 | C16 | N3 | H23 | 172.4° | 132.3° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | H21 | H22 | 120.0° | 119.9° |
| H24 | C20 | N4 | H25 | 55.9° | 53.5° |
| H24 | C20 | C23 | H27 | 11.3° | 116.6° |
| H24 | C20 | C23 | H28 | 132.6° | 5.6° |
| H26 | C22 | C23 | H27 | 33.8° | 123.5° |
| H26 | C22 | C23 | H28 | 155.1° | 1.8° |
| H26 | C22 | C24 | H29 | 27.2° | 78.8° |
| H26 | C22 | C24 | H30 | 144.1° | 38.9° |
| H29 | C24 | C25 | H31 | 105.0° | 145.4° |
| H30 | C24 | C25 | H31 | 138.1° | 97.2° |
| H31 | C25 | C26 | H32 | 171.3° | 61.8° |
| H31 | C25 | N5 | H33 | 162.6° | 130.2° |
| H32 | C26 | N6 | H34 | 0.0° | 0.1° |
| H35 | C29 | H36 | H37 | 120.0° | 120.0° |
| H38 | C30 | H39 | H40 | 120.0° | 120.0° |
