08Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N4 | sing | 1.47Å | 1.46Å | |
| BR | C29 | sing | 1.89Å | 2.00Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| N4 | C17 | sing | 1.46Å | 1.48Å | |
| C23 | C17 | sing | 1.54Å | 1.55Å | |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C21 | sing | 1.51Å | 1.54Å | |
| C29 | C25 | doub | 1.33Å | 1.48Å | Aromatic |
| C29 | N5 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.46Å | 1.45Å | Aromatic |
| C16 | C22 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| N5 | C28 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| N3 | C5 | sing | 1.47Å | 1.46Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | doub | 1.32Å | 1.34Å | |
| C21 | C24 | sing | 1.48Å | 1.51Å | |
| C11 | C5 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | doub | 1.40Å | 1.48Å | Aromatic |
| C26 | C24 | sing | 1.41Å | 1.46Å | Aromatic |
| C15 | O5 | doub | 1.21Å | 1.23Å | |
| O1 | C5 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| C5 | C8 | sing | 1.51Å | 1.52Å | |
| C28 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.55Å | 1.53Å | |
| C4 | C1 | sing | 1.55Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C1 | N2 | sing | 1.48Å | 1.47Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| C8 | N1 | sing | 1.34Å | 1.33Å | |
| C31 | C32 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.34Å | 1.35Å | |
| C3 | C9 | sing | 1.51Å | 1.53Å | |
| C3 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C19 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C32 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | N4 | C18 | 115.8° | 111.0° |
| C27 | N4 | C17 | 123.3° | 111.0° |
| N4 | C27 | H5 | 109.5° | 109.5° |
| N4 | C27 | H6 | 109.5° | 109.5° |
| N4 | C27 | H7 | 109.5° | 109.4° |
| BR | C29 | C25 | 121.0° | 124.9° |
| BR | C29 | N5 | 124.7° | 124.9° |
| C18 | N4 | C17 | 109.8° | 113.0° |
| N4 | C18 | C16 | 108.1° | 108.4° |
| N4 | C18 | H2 | 109.9° | 109.7° |
| N4 | C18 | H3 | 109.9° | 109.7° |
| N4 | C17 | C23 | 107.9° | 109.6° |
| N4 | C17 | C21 | 111.9° | 112.9° |
| N4 | C17 | H14 | 111.9° | 107.0° |
| C17 | C23 | C25 | 109.4° | 109.4° |
| C23 | C17 | C21 | 116.9° | 113.4° |
| C17 | C23 | H12 | 109.5° | 109.5° |
| C17 | C23 | H13 | 109.5° | 109.5° |
| C23 | C17 | H14 | 106.2° | 107.0° |
| C23 | C25 | C29 | 137.4° | 135.1° |
| C23 | C25 | C26 | 122.8° | 119.8° |
| C25 | C23 | H12 | 109.5° | 109.4° |
| C25 | C23 | H13 | 109.5° | 109.5° |
| C18 | C16 | C22 | 111.6° | 108.4° |
| C18 | C16 | C15 | 104.9° | 109.7° |
| C18 | C16 | H1 | 111.3° | 109.7° |
| C16 | C18 | H2 | 109.9° | 109.7° |
| C16 | C18 | H3 | 109.9° | 109.7° |
| C17 | C21 | C22 | 120.3° | 123.1° |
| C17 | C21 | C24 | 119.9° | 117.8° |
| C21 | C17 | H14 | 101.7° | 106.6° |
| C25 | C29 | N5 | 114.3° | 110.2° |
| C29 | C25 | C26 | 99.8° | 105.1° |
| C29 | N5 | C28 | 108.3° | 110.5° |
| C29 | N5 | H15 | 125.8° | 124.7° |
| C13 | C11 | C14 | 108.4° | 109.4° |
| C13 | C11 | C5 | 111.5° | 109.5° |
| C13 | C11 | H17 | 110.2° | 109.4° |
| C11 | C13 | H21 | 109.5° | 109.5° |
| C11 | C13 | H22 | 109.5° | 109.5° |
| C11 | C13 | H23 | 109.5° | 109.4° |
| C25 | C26 | C28 | 110.1° | 108.9° |
| C25 | C26 | C24 | 126.5° | 125.5° |
| C22 | C16 | C15 | 110.1° | 109.7° |
| C16 | C22 | C21 | 122.0° | 121.7° |
| C22 | C16 | H1 | 106.2° | 109.6° |
| C16 | C22 | H8 | 119.0° | 119.2° |
| C16 | C15 | N3 | 113.9° | 120.0° |
| C16 | C15 | O5 | 121.9° | 120.0° |
| C15 | C16 | H1 | 112.8° | 109.7° |
| N5 | C28 | C26 | 107.5° | 105.3° |
| N5 | C28 | C31 | 137.0° | 137.4° |
| C28 | N5 | H15 | 125.8° | 124.8° |
| C15 | N3 | C5 | 128.4° | 120.0° |
| N3 | C15 | O5 | 124.2° | 119.9° |
| C15 | N3 | H16 | 115.8° | 119.9° |
| N3 | C5 | C11 | 108.2° | 110.0° |
| N3 | C5 | O1 | 108.3° | 109.9° |
| N3 | C5 | C8 | 117.0° | 109.9° |
| C5 | N3 | H16 | 115.8° | 120.1° |
| C14 | C11 | C5 | 113.5° | 109.5° |
| C14 | C11 | H17 | 108.2° | 109.5° |
| C11 | C14 | H18 | 109.5° | 109.5° |
| C11 | C14 | H19 | 109.5° | 109.4° |
| C11 | C14 | H20 | 109.5° | 109.5° |
| C22 | C21 | C24 | 119.7° | 119.2° |
| C21 | C22 | H8 | 119.0° | 119.2° |
| C21 | C24 | C26 | 112.3° | 114.2° |
| C21 | C24 | C30 | 129.9° | 130.2° |
| C11 | C5 | O1 | 112.1° | 110.0° |
| C11 | C5 | C8 | 109.9° | 110.0° |
| C5 | C11 | H17 | 104.8° | 109.5° |
| C28 | C26 | C24 | 123.4° | 125.6° |
| C26 | C28 | C31 | 115.5° | 117.3° |
| C26 | C24 | C30 | 117.7° | 115.6° |
| C5 | O1 | C2 | 113.3° | 107.1° |
| O1 | C5 | C8 | 101.3° | 106.9° |
| O1 | C2 | C1 | 109.3° | 110.7° |
| O1 | C2 | O2 | 115.2° | 109.9° |
| O1 | C2 | N1 | 103.1° | 108.3° |
| C5 | C8 | O3 | 122.7° | 125.9° |
| C5 | C8 | N1 | 110.2° | 108.2° |
| C28 | C31 | C32 | 120.2° | 117.5° |
| C28 | C31 | H11 | 119.9° | 121.3° |
| C24 | C30 | C32 | 118.8° | 119.7° |
| C24 | C30 | H9 | 120.6° | 120.1° |
| C7 | C4 | C1 | 104.6° | 101.2° |
| C4 | C7 | C6 | 105.5° | 103.0° |
| C4 | C7 | H36 | 110.8° | 110.7° |
| C4 | C7 | H37 | 110.8° | 110.9° |
| C7 | C4 | H38 | 111.1° | 111.0° |
| C7 | C4 | H39 | 111.1° | 111.1° |
| C4 | C1 | C2 | 115.1° | 109.7° |
| C4 | C1 | N2 | 105.6° | 104.5° |
| C1 | C4 | H38 | 111.1° | 111.0° |
| C1 | C4 | H39 | 111.2° | 111.1° |
| C4 | C1 | H40 | 108.2° | 111.3° |
| C1 | C2 | O2 | 110.9° | 110.0° |
| C1 | C2 | N1 | 109.5° | 107.3° |
| C2 | C1 | N2 | 109.1° | 107.8° |
| C2 | C1 | H40 | 104.7° | 111.8° |
| O2 | C2 | N1 | 108.5° | 110.6° |
| C2 | O2 | H41 | 109.5° | 114.0° |
| C2 | N1 | C8 | 112.0° | 109.0° |
| C2 | N1 | C3 | 119.7° | 124.1° |
| C7 | C6 | N2 | 106.6° | 107.3° |
| C7 | C6 | H34 | 110.4° | 109.9° |
| C7 | C6 | H35 | 110.4° | 110.0° |
| C6 | C7 | H36 | 110.8° | 110.7° |
| C6 | C7 | H37 | 110.8° | 110.7° |
| C1 | N2 | C6 | 110.6° | 108.2° |
| C1 | N2 | C9 | 122.8° | 125.6° |
| N2 | C1 | H40 | 114.4° | 111.4° |
| O3 | C8 | N1 | 127.1° | 125.9° |
| C8 | N1 | C3 | 126.3° | 126.9° |
| C31 | C32 | C30 | 124.3° | 124.3° |
| C31 | C32 | H10 | 117.9° | 117.8° |
| C32 | C31 | H11 | 119.9° | 121.2° |
| C32 | C30 | H9 | 120.6° | 120.2° |
| C30 | C32 | H10 | 117.9° | 117.9° |
| N1 | C3 | C9 | 114.0° | 109.5° |
| N1 | C3 | C10 | 103.0° | 109.5° |
| N1 | C3 | H24 | 109.8° | 109.5° |
| C6 | N2 | C9 | 126.5° | 126.2° |
| N2 | C6 | H34 | 110.4° | 109.9° |
| N2 | C6 | H35 | 110.4° | 109.8° |
| N2 | C9 | C3 | 119.8° | 121.5° |
| N2 | C9 | O4 | 120.1° | 119.2° |
| C9 | C3 | C10 | 105.9° | 109.4° |
| C3 | C9 | O4 | 120.1° | 119.2° |
| C9 | C3 | H24 | 107.0° | 109.4° |
| C3 | C10 | C12 | 114.9° | 109.5° |
| C10 | C3 | H24 | 117.3° | 109.5° |
| C3 | C10 | H25 | 107.7° | 109.4° |
| C3 | C10 | H26 | 107.7° | 109.5° |
| C10 | C12 | C19 | 111.4° | 109.4° |
| C10 | C12 | C20 | 107.6° | 109.5° |
| C12 | C10 | H25 | 107.7° | 109.5° |
| C12 | C10 | H26 | 107.7° | 109.5° |
| C10 | C12 | H27 | 109.6° | 109.5° |
| C19 | C12 | C20 | 110.1° | 109.5° |
| C19 | C12 | H27 | 107.2° | 109.5° |
| C12 | C19 | H31 | 109.5° | 109.5° |
| C12 | C19 | H32 | 109.5° | 109.5° |
| C12 | C19 | H33 | 109.5° | 109.5° |
| C20 | C12 | H27 | 110.9° | 109.5° |
| C12 | C20 | H28 | 109.5° | 109.5° |
| C12 | C20 | H29 | 109.4° | 109.5° |
| C12 | C20 | H30 | 109.4° | 109.5° |
| H2 | C18 | H3 | 109.0° | 109.7° |
| H5 | C27 | H6 | 109.4° | 109.5° |
| H5 | C27 | H7 | 109.5° | 109.5° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.4° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H23 | 109.4° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.4° |
| H25 | C10 | H26 | 111.2° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H28 | C20 | H30 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.4° | 109.4° |
| H31 | C19 | H33 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.4° |
| H34 | C6 | H35 | 108.5° | 109.8° |
| H36 | C7 | H37 | 108.1° | 110.6° |
| H38 | C4 | H39 | 107.7° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | N4 | C18 | C17 | 145.3° | 125.4° |
| C27 | N4 | C17 | C23 | 35.3° | 69.4° |
| C27 | N4 | C18 | C16 | 145.3° | 169.8° |
| C27 | N4 | C17 | C21 | 165.3° | 163.2° |
| C27 | N4 | C18 | H2 | 94.6° | 50.1° |
| C27 | N4 | C18 | H3 | 25.3° | 70.5° |
| N4 | C27 | H5 | H6 | 120.0° | 120.0° |
| N4 | C27 | H5 | H7 | 120.0° | 120.0° |
| N4 | C27 | H6 | H7 | 120.0° | 119.9° |
| C27 | N4 | C17 | H14 | 81.2° | 46.2° |
| BR | C29 | C25 | C23 | 0.9° | 0.9° |
| BR | C29 | C25 | N5 | 179.9° | 180.0° |
| BR | C29 | C25 | C26 | 179.8° | 179.8° |
| BR | C29 | N5 | C28 | 179.8° | 179.9° |
| BR | C29 | N5 | H15 | 0.3° | 0.1° |
| C18 | N4 | C17 | C23 | 177.5° | 165.2° |
| N4 | C18 | C16 | H2 | 120.0° | 119.7° |
| N4 | C18 | C16 | H3 | 120.0° | 119.7° |
| C18 | N4 | C17 | C21 | 52.5° | 37.7° |
| N4 | C18 | C16 | C22 | 49.8° | 56.2° |
| N4 | C18 | C16 | C15 | 169.1° | 175.9° |
| N4 | C18 | C16 | H1 | 68.6° | 63.5° |
| N4 | C18 | H2 | H3 | 120.5° | 120.5° |
| C18 | N4 | C27 | H5 | 180.0° | 63.9° |
| C18 | N4 | C27 | H6 | 60.0° | 176.0° |
| C18 | N4 | C27 | H7 | 60.0° | 56.1° |
| C18 | N4 | C17 | H14 | 61.0° | 79.2° |
| N4 | C17 | C23 | C21 | 127.2° | 127.1° |
| N4 | C17 | C23 | H14 | 120.1° | 115.6° |
| N4 | C17 | C23 | C25 | 165.0° | 175.0° |
| C17 | N4 | C18 | C16 | 69.3° | 64.8° |
| N4 | C17 | C21 | H14 | 119.6° | 117.1° |
| N4 | C17 | C21 | C22 | 17.6° | 4.7° |
| N4 | C17 | C21 | C24 | 165.2° | 175.4° |
| C17 | N4 | C18 | H2 | 50.7° | 175.5° |
| C17 | N4 | C18 | H3 | 170.6° | 54.9° |
| C17 | N4 | C27 | H5 | 39.8° | 62.6° |
| C17 | N4 | C27 | H6 | 159.8° | 57.4° |
| C17 | N4 | C27 | H7 | 80.2° | 177.3° |
| N4 | C17 | C23 | H12 | 45.0° | 65.1° |
| N4 | C17 | C23 | H13 | 75.1° | 55.0° |
| C17 | C23 | C25 | H12 | 120.0° | 119.9° |
| C17 | C23 | C25 | H13 | 120.0° | 120.0° |
| C23 | C17 | C21 | H14 | 115.2° | 117.5° |
| C17 | C23 | C25 | C29 | 161.3° | 155.5° |
| C17 | C23 | C25 | C26 | 19.6° | 25.3° |
| C23 | C17 | C21 | C22 | 142.8° | 130.1° |
| C23 | C17 | C21 | C24 | 39.9° | 50.1° |
| C17 | C23 | H12 | H13 | 120.0° | 120.1° |
| C25 | C23 | C17 | C21 | 37.7° | 47.9° |
| C23 | C25 | C29 | C26 | 179.2° | 179.3° |
| C23 | C25 | C29 | N5 | 179.2° | 179.1° |
| C23 | C25 | C26 | C28 | 179.4° | 179.0° |
| C23 | C25 | C26 | C24 | 0.1° | 1.2° |
| C25 | C23 | H12 | H13 | 120.0° | 120.0° |
| C25 | C23 | C17 | H14 | 74.9° | 69.4° |
| C18 | C16 | C22 | C15 | 116.1° | 119.7° |
| C18 | C16 | C22 | H1 | 121.5° | 119.8° |
| C18 | C16 | C15 | H1 | 121.3° | 120.6° |
| C18 | C16 | C15 | N3 | 80.2° | 178.6° |
| C18 | C16 | C22 | C21 | 16.4° | 25.7° |
| C18 | C16 | C15 | O5 | 96.8° | 1.1° |
| C16 | C18 | H2 | H3 | 120.6° | 120.5° |
| C18 | C16 | C22 | H8 | 163.6° | 154.2° |
| C17 | C21 | C22 | C16 | 0.3° | 0.0° |
| C17 | C21 | C22 | C24 | 177.2° | 179.8° |
| C17 | C21 | C24 | C26 | 18.0° | 23.9° |
| C17 | C21 | C24 | C30 | 159.1° | 155.9° |
| C17 | C21 | C22 | H8 | 179.7° | 180.0° |
| C21 | C17 | C23 | H12 | 82.3° | 167.8° |
| C21 | C17 | C23 | H13 | 157.7° | 72.1° |
| C25 | C29 | N5 | C28 | 0.1° | 0.1° |
| C29 | C25 | C26 | C28 | 0.0° | 0.5° |
| C29 | C25 | C26 | C24 | 179.3° | 179.4° |
| C29 | C25 | C23 | H12 | 78.7° | 35.6° |
| C29 | C25 | C23 | H13 | 41.3° | 84.5° |
| C25 | C29 | N5 | H15 | 179.9° | 179.9° |
| N5 | C29 | C25 | C26 | 0.0° | 0.2° |
| C29 | N5 | C28 | H15 | 180.0° | 180.0° |
| C29 | N5 | C28 | C26 | 0.1° | 0.4° |
| C29 | N5 | C28 | C31 | 179.9° | 179.7° |
| C13 | C11 | C5 | N3 | 75.1° | 55.3° |
| C13 | C11 | C14 | C5 | 124.5° | 120.0° |
| C13 | C11 | C14 | H17 | 119.6° | 119.9° |
| C13 | C11 | C5 | H17 | 119.3° | 119.9° |
| C13 | C11 | C5 | O1 | 44.3° | 176.5° |
| C13 | C11 | C5 | C8 | 156.1° | 65.9° |
| C13 | C11 | C14 | H18 | 180.0° | 71.0° |
| C13 | C11 | C14 | H19 | 60.0° | 169.0° |
| C13 | C11 | C14 | H20 | 60.0° | 49.1° |
| C11 | C13 | H21 | H22 | 120.0° | 120.1° |
| C11 | C13 | H21 | H23 | 120.0° | 120.0° |
| C11 | C13 | H22 | H23 | 120.0° | 120.0° |
| C25 | C26 | C28 | N5 | 0.1° | 0.6° |
| C25 | C26 | C24 | C21 | 1.8° | 0.7° |
| C25 | C26 | C28 | C24 | 179.3° | 179.9° |
| C25 | C26 | C28 | C31 | 180.0° | 179.5° |
| C25 | C26 | C24 | C30 | 179.3° | 179.4° |
| C26 | C25 | C23 | H12 | 100.4° | 145.2° |
| C26 | C25 | C23 | H13 | 139.5° | 94.7° |
| C22 | C16 | C15 | H1 | 118.4° | 120.5° |
| C22 | C16 | C15 | N3 | 159.5° | 59.7° |
| C16 | C22 | C21 | H8 | 180.0° | 179.9° |
| C16 | C22 | C21 | C24 | 177.6° | 179.8° |
| C22 | C16 | C15 | O5 | 23.5° | 120.0° |
| C22 | C16 | C18 | H2 | 70.2° | 175.9° |
| C22 | C16 | C18 | H3 | 169.8° | 63.5° |
| C16 | C15 | N3 | O5 | 177.0° | 179.7° |
| C16 | C15 | N3 | C5 | 145.8° | 175.9° |
| C15 | C16 | C22 | C21 | 132.5° | 145.4° |
| C15 | C16 | C18 | H2 | 49.1° | 64.4° |
| C15 | C16 | C18 | H3 | 70.9° | 56.2° |
| C15 | C16 | C22 | H8 | 47.5° | 34.5° |
| C16 | C15 | N3 | H16 | 34.1° | 4.1° |
| N5 | C28 | C26 | C31 | 179.8° | 179.9° |
| N5 | C28 | C26 | C24 | 179.2° | 179.3° |
| N5 | C28 | C31 | C32 | 179.8° | 179.7° |
| N5 | C28 | C31 | H11 | 0.2° | 0.2° |
| C15 | N3 | C5 | H16 | 180.0° | 180.0° |
| C15 | N3 | C5 | C11 | 129.0° | 75.3° |
| C15 | N3 | C5 | O1 | 109.2° | 46.0° |
| C15 | N3 | C5 | C8 | 4.4° | 163.4° |
| N3 | C15 | C16 | H1 | 41.1° | 60.8° |
| N3 | C5 | C11 | C14 | 47.8° | 64.7° |
| N3 | C5 | C11 | O1 | 119.4° | 121.3° |
| N3 | C5 | C11 | C8 | 128.8° | 121.2° |
| C5 | N3 | C15 | O5 | 37.2° | 3.8° |
| N3 | C5 | O1 | C8 | 123.6° | 119.3° |
| N3 | C5 | O1 | C2 | 123.0° | 117.0° |
| N3 | C5 | C8 | O3 | 63.0° | 58.3° |
| N3 | C5 | C8 | N1 | 117.2° | 121.7° |
| N3 | C5 | C11 | H17 | 165.6° | 175.2° |
| C14 | C11 | C5 | H17 | 117.9° | 120.1° |
| C14 | C11 | C5 | O1 | 167.2° | 56.5° |
| C14 | C11 | C5 | C8 | 81.0° | 174.1° |
| C11 | C14 | H18 | H19 | 120.0° | 120.0° |
| C11 | C14 | H18 | H20 | 120.0° | 120.0° |
| C11 | C14 | H19 | H20 | 120.0° | 119.9° |
| C14 | C11 | C13 | H21 | 180.0° | 173.5° |
| C14 | C11 | C13 | H22 | 60.0° | 53.4° |
| C14 | C11 | C13 | H23 | 60.0° | 66.5° |
| C22 | C21 | C24 | C26 | 164.7° | 156.2° |
| C22 | C21 | C24 | C30 | 18.2° | 23.9° |
| C21 | C22 | C16 | H1 | 105.1° | 94.0° |
| C22 | C21 | C17 | H14 | 102.0° | 112.4° |
| C21 | C24 | C26 | C28 | 179.0° | 179.2° |
| C21 | C24 | C26 | C30 | 177.5° | 179.9° |
| C21 | C24 | C30 | C32 | 178.6° | 179.5° |
| C24 | C21 | C22 | H8 | 2.4° | 0.1° |
| C21 | C24 | C30 | H9 | 1.4° | 0.4° |
| C24 | C21 | C17 | H14 | 75.2° | 67.4° |
| C11 | C5 | O1 | C8 | 117.1° | 119.4° |
| C11 | C5 | O1 | C2 | 117.7° | 121.8° |
| C11 | C5 | C8 | O3 | 60.8° | 62.9° |
| C11 | C5 | C8 | N1 | 119.0° | 117.1° |
| C11 | C5 | N3 | H16 | 50.9° | 104.6° |
| C5 | C11 | C14 | H18 | 55.4° | 169.0° |
| C5 | C11 | C14 | H19 | 175.5° | 49.0° |
| C5 | C11 | C14 | H20 | 64.5° | 70.9° |
| C5 | C11 | C13 | H21 | 54.3° | 66.4° |
| C5 | C11 | C13 | H22 | 65.7° | 173.5° |
| C5 | C11 | C13 | H23 | 174.3° | 53.5° |
| C28 | C26 | C24 | C30 | 1.5° | 0.7° |
| C26 | C28 | C31 | C32 | 0.0° | 0.1° |
| C26 | C28 | C31 | H11 | 180.0° | 179.9° |
| C26 | C28 | N5 | H15 | 179.8° | 179.6° |
| C24 | C26 | C28 | C31 | 0.6° | 0.6° |
| C26 | C24 | C30 | C32 | 1.7° | 0.4° |
| C26 | C24 | C30 | H9 | 178.4° | 179.7° |
| O5 | C15 | C16 | H1 | 141.9° | 119.5° |
| O5 | C15 | N3 | H16 | 142.8° | 176.2° |
| C5 | O1 | C2 | C1 | 117.0° | 123.2° |
| C5 | O1 | C2 | O2 | 117.4° | 115.1° |
| C5 | O1 | C2 | N1 | 0.6° | 5.9° |
| O1 | C5 | C8 | O3 | 179.5° | 177.7° |
| O1 | C5 | C8 | N1 | 0.3° | 2.4° |
| O1 | C5 | N3 | H16 | 70.8° | 134.0° |
| O1 | C5 | C11 | H17 | 75.0° | 63.5° |
| C2 | O1 | C5 | C8 | 0.5° | 2.3° |
| O1 | C2 | C1 | C4 | 74.1° | 77.3° |
| O1 | C2 | C1 | O2 | 128.0° | 121.7° |
| O1 | C2 | C1 | N1 | 112.2° | 118.0° |
| O1 | C2 | O2 | N1 | 114.9° | 119.6° |
| O1 | C2 | C1 | N2 | 167.5° | 169.5° |
| O1 | C2 | N1 | C8 | 0.4° | 7.6° |
| O1 | C2 | N1 | C3 | 164.8° | 171.9° |
| O1 | C2 | C1 | H40 | 44.6° | 46.7° |
| O1 | C2 | O2 | H41 | 180.0° | 59.3° |
| C5 | C8 | N1 | C2 | 0.1° | 6.0° |
| C5 | C8 | O3 | N1 | 179.8° | 179.9° |
| C5 | C8 | N1 | C3 | 164.0° | 173.5° |
| C8 | C5 | N3 | H16 | 175.6° | 16.6° |
| C8 | C5 | C11 | H17 | 36.8° | 54.0° |
| C28 | C31 | C32 | H11 | 180.0° | 179.9° |
| C28 | C31 | C32 | C30 | 0.3° | 0.2° |
| C28 | C31 | C32 | H10 | 179.7° | 179.8° |
| C31 | C28 | N5 | H15 | 0.1° | 0.3° |
| C24 | C30 | C32 | C31 | 1.1° | 0.0° |
| C24 | C30 | C32 | H9 | 180.0° | 179.9° |
| C24 | C30 | C32 | H10 | 178.9° | 180.0° |
| C7 | C4 | C1 | H38 | 120.0° | 117.9° |
| C7 | C4 | C1 | H39 | 120.0° | 118.0° |
| C7 | C4 | C1 | C2 | 146.4° | 154.1° |
| C4 | C7 | C6 | H36 | 120.0° | 118.4° |
| C4 | C7 | C6 | H37 | 120.0° | 118.6° |
| C7 | C4 | C1 | N2 | 26.0° | 38.7° |
| C4 | C7 | C6 | N2 | 15.0° | 20.7° |
| C4 | C7 | C6 | H34 | 105.0° | 140.1° |
| C4 | C7 | C6 | H35 | 135.0° | 98.8° |
| C4 | C7 | H36 | H37 | 121.6° | 123.3° |
| C7 | C4 | H38 | H39 | 121.9° | 124.1° |
| C7 | C4 | C1 | H40 | 96.9° | 81.6° |
| C4 | C1 | C2 | N2 | 118.4° | 113.3° |
| C4 | C1 | C2 | H40 | 118.7° | 124.0° |
| C4 | C1 | C2 | O2 | 53.9° | 44.4° |
| C4 | C1 | C2 | N1 | 173.7° | 164.8° |
| C1 | C4 | C7 | C6 | 25.0° | 35.6° |
| C4 | C1 | N2 | H40 | 118.9° | 120.3° |
| C4 | C1 | N2 | C6 | 17.3° | 26.9° |
| C4 | C1 | N2 | C9 | 165.3° | 152.5° |
| C1 | C4 | C7 | H36 | 145.0° | 82.8° |
| C1 | C4 | C7 | H37 | 95.0° | 154.1° |
| C1 | C4 | H38 | H39 | 122.0° | 124.2° |
| C1 | C2 | O2 | N1 | 120.3° | 118.3° |
| C2 | C1 | N2 | H40 | 116.8° | 123.0° |
| C1 | C2 | N1 | C8 | 116.6° | 127.2° |
| C1 | C2 | N1 | C3 | 48.6° | 52.4° |
| C2 | C1 | N2 | C6 | 141.6° | 143.7° |
| C2 | C1 | N2 | C9 | 41.1° | 35.8° |
| C2 | C1 | C4 | H38 | 93.6° | 88.0° |
| C2 | C1 | C4 | H39 | 26.4° | 36.1° |
| C1 | C2 | O2 | H41 | 55.3° | 178.5° |
| O2 | C2 | C1 | N2 | 64.5° | 68.9° |
| O2 | C2 | N1 | C8 | 122.2° | 112.9° |
| O2 | C2 | N1 | C3 | 72.6° | 67.6° |
| O2 | C2 | C1 | H40 | 172.6° | 168.4° |
| N1 | C2 | C1 | N2 | 55.2° | 51.5° |
| C2 | N1 | C8 | O3 | 179.9° | 174.0° |
| C2 | N1 | C8 | C3 | 164.0° | 179.5° |
| C2 | N1 | C3 | C9 | 21.4° | 25.0° |
| C2 | N1 | C3 | C10 | 92.9° | 95.0° |
| C2 | N1 | C3 | H24 | 141.4° | 145.0° |
| N1 | C2 | C1 | H40 | 67.6° | 71.3° |
| N1 | C2 | O2 | H41 | 65.1° | 60.2° |
| C7 | C6 | N2 | C1 | 1.5° | 3.7° |
| C7 | C6 | N2 | H34 | 120.0° | 119.5° |
| C7 | C6 | N2 | H35 | 120.0° | 119.6° |
| C7 | C6 | N2 | C9 | 178.7° | 175.7° |
| C7 | C6 | H34 | H35 | 121.2° | 121.2° |
| C6 | C7 | H36 | H37 | 121.6° | 123.0° |
| C6 | C7 | C4 | H38 | 145.0° | 153.6° |
| C6 | C7 | C4 | H39 | 95.0° | 82.4° |
| C1 | N2 | C6 | C9 | 177.2° | 179.5° |
| C1 | N2 | C9 | C3 | 14.2° | 8.8° |
| C1 | N2 | C9 | O4 | 167.5° | 171.2° |
| C1 | N2 | C6 | H34 | 121.5° | 115.7° |
| C1 | N2 | C6 | H35 | 118.5° | 123.3° |
| N2 | C1 | C4 | H38 | 146.0° | 156.6° |
| N2 | C1 | C4 | H39 | 94.0° | 79.3° |
| O3 | C8 | N1 | C3 | 15.8° | 6.4° |
| C8 | N1 | C3 | C9 | 141.5° | 154.5° |
| C8 | N1 | C3 | C10 | 104.2° | 85.5° |
| C8 | N1 | C3 | H24 | 21.5° | 34.5° |
| C31 | C32 | C30 | H10 | 180.0° | 180.0° |
| C31 | C32 | C30 | H9 | 178.9° | 179.9° |
| C30 | C32 | C31 | H11 | 179.7° | 179.8° |
| N1 | C3 | C9 | N2 | 2.1° | 0.5° |
| N1 | C3 | C9 | C10 | 112.5° | 120.0° |
| N1 | C3 | C9 | H24 | 121.5° | 120.1° |
| N1 | C3 | C10 | H24 | 120.6° | 120.1° |
| N1 | C3 | C9 | O4 | 179.6° | 179.6° |
| N1 | C3 | C10 | C12 | 97.1° | 173.0° |
| N1 | C3 | C10 | H25 | 22.9° | 53.0° |
| N1 | C3 | C10 | H26 | 142.8° | 67.0° |
| C6 | N2 | C9 | C3 | 168.9° | 170.5° |
| C6 | N2 | C9 | O4 | 9.3° | 9.4° |
| N2 | C6 | H34 | H35 | 121.1° | 120.9° |
| N2 | C6 | C7 | H36 | 135.0° | 97.8° |
| N2 | C6 | C7 | H37 | 105.0° | 139.2° |
| C6 | N2 | C1 | H40 | 101.6° | 93.3° |
| N2 | C9 | C3 | O4 | 178.3° | 180.0° |
| N2 | C9 | C3 | C10 | 110.4° | 119.6° |
| N2 | C9 | C3 | H24 | 123.7° | 120.5° |
| C9 | N2 | C6 | H34 | 61.3° | 64.8° |
| C9 | N2 | C6 | H35 | 58.7° | 56.1° |
| C9 | N2 | C1 | H40 | 75.8° | 87.2° |
| C9 | C3 | C10 | H24 | 119.4° | 119.9° |
| C9 | C3 | C10 | C12 | 142.9° | 67.0° |
| C9 | C3 | C10 | H25 | 97.1° | 173.0° |
| C9 | C3 | C10 | H26 | 22.8° | 53.1° |
| C10 | C3 | C9 | O4 | 67.8° | 60.4° |
| C3 | C10 | C12 | H25 | 120.0° | 120.0° |
| C3 | C10 | C12 | H26 | 120.0° | 120.0° |
| C3 | C10 | C12 | C19 | 130.4° | 176.4° |
| C3 | C10 | C12 | C20 | 108.8° | 63.7° |
| C3 | C10 | H25 | H26 | 117.8° | 120.0° |
| C3 | C10 | C12 | H27 | 12.0° | 56.4° |
| O4 | C9 | C3 | H24 | 58.1° | 59.5° |
| C10 | C12 | C19 | C20 | 119.3° | 120.0° |
| C10 | C12 | C19 | H27 | 119.9° | 120.0° |
| C10 | C12 | C20 | H27 | 120.0° | 120.0° |
| C12 | C10 | C3 | H24 | 23.5° | 52.9° |
| C12 | C10 | H25 | H26 | 117.8° | 120.0° |
| C10 | C12 | C20 | H28 | 180.0° | 176.2° |
| C10 | C12 | C20 | H29 | 60.0° | 56.2° |
| C10 | C12 | C20 | H30 | 60.0° | 63.8° |
| C10 | C12 | C19 | H31 | 180.0° | 60.1° |
| C10 | C12 | C19 | H32 | 60.0° | 180.0° |
| C10 | C12 | C19 | H33 | 60.0° | 60.0° |
| C19 | C12 | C20 | H27 | 118.5° | 120.0° |
| C19 | C12 | C10 | H25 | 10.4° | 63.7° |
| C19 | C12 | C10 | H26 | 109.6° | 56.3° |
| C19 | C12 | C20 | H28 | 58.4° | 63.9° |
| C19 | C12 | C20 | H29 | 61.6° | 176.1° |
| C19 | C12 | C20 | H30 | 178.4° | 56.1° |
| C12 | C19 | H31 | H32 | 120.0° | 120.0° |
| C12 | C19 | H31 | H33 | 120.0° | 120.1° |
| C12 | C19 | H32 | H33 | 120.0° | 120.0° |
| C20 | C12 | C10 | H25 | 131.2° | 56.3° |
| C20 | C12 | C10 | H26 | 11.2° | 176.3° |
| C12 | C20 | H28 | H29 | 120.0° | 120.0° |
| C12 | C20 | H28 | H30 | 120.0° | 120.0° |
| C12 | C20 | H29 | H30 | 120.0° | 120.0° |
| C20 | C12 | C19 | H31 | 60.7° | 180.0° |
| C20 | C12 | C19 | H32 | 179.3° | 60.0° |
| C20 | C12 | C19 | H33 | 59.3° | 59.9° |
| H1 | C16 | C18 | H2 | 171.4° | 56.2° |
| H1 | C16 | C18 | H3 | 51.4° | 176.8° |
| H1 | C16 | C22 | H8 | 74.9° | 86.0° |
| H5 | C27 | H6 | H7 | 120.0° | 120.0° |
| H9 | C30 | C32 | H10 | 1.1° | 0.1° |
| H10 | C32 | C31 | H11 | 0.3° | 0.2° |
| H12 | C23 | C17 | H14 | 165.1° | 50.5° |
| H13 | C23 | C17 | H14 | 45.0° | 170.6° |
| H17 | C11 | C14 | H18 | 60.5° | 48.9° |
| H17 | C11 | C14 | H19 | 59.6° | 71.1° |
| H17 | C11 | C14 | H20 | 179.5° | 169.0° |
| H17 | C11 | C13 | H21 | 61.7° | 53.6° |
| H17 | C11 | C13 | H22 | 178.2° | 66.5° |
| H17 | C11 | C13 | H23 | 58.3° | 173.6° |
| H18 | C14 | H19 | H20 | 119.9° | 120.0° |
| H21 | C13 | H22 | H23 | 120.0° | 120.0° |
| H24 | C3 | C10 | H25 | 143.5° | 67.1° |
| H24 | C3 | C10 | H26 | 96.5° | 172.9° |
| H25 | C10 | C12 | H27 | 108.0° | 176.3° |
| H26 | C10 | C12 | H27 | 132.0° | 63.7° |
| H27 | C12 | C20 | H28 | 60.0° | 56.1° |
| H27 | C12 | C20 | H29 | 180.0° | 63.9° |
| H27 | C12 | C20 | H30 | 60.0° | 176.1° |
| H27 | C12 | C19 | H31 | 60.1° | 60.0° |
| H27 | C12 | C19 | H32 | 59.9° | 60.0° |
| H27 | C12 | C19 | H33 | 179.9° | 180.0° |
| H28 | C20 | H29 | H30 | 120.0° | 120.0° |
| H31 | C19 | H32 | H33 | 120.0° | 120.0° |
| H34 | C6 | C7 | H36 | 15.0° | 21.7° |
| H34 | C6 | C7 | H37 | 135.0° | 101.3° |
| H35 | C6 | C7 | H36 | 105.0° | 142.7° |
| H35 | C6 | C7 | H37 | 15.0° | 19.7° |
| H36 | C7 | C4 | H38 | 95.0° | 35.2° |
| H36 | C7 | C4 | H39 | 25.0° | 159.2° |
| H37 | C7 | C4 | H38 | 25.0° | 88.0° |
| H37 | C7 | C4 | H39 | 145.0° | 36.0° |
| H38 | C4 | C1 | H40 | 23.1° | 36.3° |
| H39 | C4 | C1 | H40 | 143.1° | 160.4° |
