06T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C24 | sing | 1.47Å | 1.50Å | |
| O2 | C23 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C22 | C3 | sing | 1.50Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.35Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.45Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | N3 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| O1 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| N1 | C4 | sing | 1.34Å | 1.38Å | Aromatic |
| N1 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| N5 | C28 | sing | 1.35Å | 1.34Å | |
| C4 | C9 | sing | 1.51Å | 1.50Å | |
| C12 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C21 | N3 | sing | 1.49Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| N3 | C20 | sing | 1.48Å | 1.48Å | |
| C15 | C28 | sing | 1.47Å | 1.51Å | |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C19 | sing | 1.53Å | 1.53Å | |
| C28 | O3 | doub | 1.22Å | 1.24Å | |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C16 | N2 | sing | 1.40Å | 1.38Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| N2 | C18 | sing | 1.48Å | 1.45Å | |
| C18 | C27 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.10Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| N4 | H30 | sing | 1.01Å | 1.00Å | |
| N4 | H31 | sing | 1.01Å | 1.00Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| N5 | H39 | sing | 0.97Å | 1.00Å | |
| N5 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C24 | C23 | 105.7° | 109.5° |
| N4 | C24 | C25 | 107.9° | 109.4° |
| N4 | C24 | H26 | 112.9° | 109.5° |
| C24 | N4 | H30 | 109.5° | 111.0° |
| C24 | N4 | H31 | 109.5° | 111.0° |
| O2 | C23 | C24 | 118.0° | 120.0° |
| O2 | C23 | N3 | 121.5° | 120.0° |
| C1 | C2 | C3 | 127.2° | 126.9° |
| C1 | C2 | C5 | 124.7° | 127.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C3 | C22 | C21 | 109.1° | 111.0° |
| C22 | C3 | C2 | 128.9° | 124.4° |
| C22 | C3 | N1 | 123.5° | 126.5° |
| C3 | C22 | H24 | 109.6° | 109.3° |
| C3 | C22 | H25 | 109.6° | 110.8° |
| C22 | C21 | N3 | 117.0° | 108.7° |
| C22 | C21 | H22 | 107.0° | 109.7° |
| C22 | C21 | H23 | 107.0° | 109.8° |
| C21 | C22 | H24 | 109.6° | 109.4° |
| C21 | C22 | H25 | 109.6° | 107.3° |
| C3 | C2 | C5 | 108.1° | 106.2° |
| C2 | C3 | N1 | 107.6° | 109.1° |
| C2 | C5 | C6 | 131.1° | 131.5° |
| C2 | C5 | C4 | 107.5° | 106.6° |
| C14 | C13 | C12 | 118.8° | 120.7° |
| C13 | C14 | C15 | 121.2° | 120.6° |
| C14 | C13 | H14 | 120.6° | 119.1° |
| C13 | C14 | H15 | 119.4° | 119.8° |
| C13 | C12 | N1 | 122.9° | 120.7° |
| C13 | C12 | C17 | 120.7° | 118.6° |
| C12 | C13 | H14 | 120.6° | 120.2° |
| C3 | N1 | C4 | 108.6° | 110.2° |
| C3 | N1 | C12 | 128.3° | 125.6° |
| C24 | C23 | N3 | 120.5° | 120.0° |
| C23 | C24 | C25 | 109.5° | 109.5° |
| C23 | C24 | H26 | 111.4° | 109.5° |
| C23 | N3 | C21 | 120.4° | 121.0° |
| C23 | N3 | C20 | 122.6° | 122.4° |
| C14 | C15 | C28 | 120.5° | 119.7° |
| C14 | C15 | C16 | 119.6° | 119.0° |
| C15 | C14 | H15 | 119.4° | 119.5° |
| C25 | C24 | H26 | 109.3° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.5° | 109.5° |
| C24 | C25 | H29 | 109.4° | 109.5° |
| C6 | C5 | C4 | 121.4° | 121.9° |
| C5 | C6 | O1 | 121.0° | 121.8° |
| C5 | C6 | C7 | 116.8° | 117.0° |
| C5 | C4 | N1 | 108.1° | 107.9° |
| C5 | C4 | C9 | 124.6° | 122.1° |
| O1 | C6 | C7 | 120.8° | 121.3° |
| C6 | C7 | C8 | 114.2° | 110.5° |
| C6 | C7 | H4 | 107.9° | 109.2° |
| C6 | C7 | H5 | 107.9° | 109.3° |
| C4 | N1 | C12 | 123.1° | 124.3° |
| N1 | C4 | C9 | 127.2° | 130.0° |
| N1 | C12 | C17 | 116.4° | 120.7° |
| N5 | C28 | C15 | 116.2° | 120.0° |
| N5 | C28 | O3 | 120.9° | 120.0° |
| C28 | N5 | H39 | 120.0° | 120.0° |
| C28 | N5 | H40 | 120.0° | 120.0° |
| C4 | C9 | C8 | 108.8° | 109.6° |
| C4 | C9 | H6 | 109.7° | 109.6° |
| C4 | C9 | H7 | 109.7° | 109.5° |
| C12 | C17 | C16 | 121.1° | 121.1° |
| C12 | C17 | H16 | 119.5° | 120.2° |
| C7 | C8 | C9 | 112.1° | 111.4° |
| C7 | C8 | C11 | 109.5° | 108.7° |
| C7 | C8 | C10 | 108.5° | 109.6° |
| C8 | C7 | H4 | 107.9° | 109.4° |
| C8 | C7 | H5 | 107.9° | 109.4° |
| C21 | N3 | C20 | 117.0° | 116.6° |
| N3 | C21 | H22 | 107.0° | 109.3° |
| N3 | C21 | H23 | 107.0° | 109.5° |
| C9 | C8 | C11 | 109.1° | 108.8° |
| C9 | C8 | C10 | 109.7° | 109.6° |
| C8 | C9 | H6 | 109.7° | 109.4° |
| C8 | C9 | H7 | 109.7° | 109.3° |
| N3 | C20 | C19 | 111.3° | 109.9° |
| N3 | C20 | H20 | 108.9° | 110.1° |
| N3 | C20 | H21 | 108.9° | 108.9° |
| C28 | C15 | C16 | 120.0° | 121.3° |
| C15 | C28 | O3 | 122.9° | 120.0° |
| C15 | C16 | C17 | 118.6° | 119.0° |
| C15 | C16 | N2 | 123.3° | 122.5° |
| C26 | C19 | C20 | 111.6° | 109.5° |
| C26 | C19 | C18 | 113.4° | 108.6° |
| C26 | C19 | H19 | 106.0° | 109.1° |
| C19 | C26 | H33 | 109.5° | 109.5° |
| C19 | C26 | H34 | 109.5° | 109.4° |
| C19 | C26 | H35 | 109.4° | 109.5° |
| C17 | C16 | N2 | 118.1° | 118.4° |
| C16 | C17 | H16 | 119.4° | 118.4° |
| C11 | C8 | C10 | 107.8° | 108.7° |
| C8 | C11 | H11 | 109.5° | 109.5° |
| C8 | C11 | H12 | 109.5° | 109.4° |
| C8 | C11 | H13 | 109.5° | 109.5° |
| C8 | C10 | H8 | 109.5° | 109.5° |
| C8 | C10 | H9 | 109.4° | 109.5° |
| C8 | C10 | H10 | 109.4° | 109.5° |
| C16 | N2 | C18 | 123.0° | 115.6° |
| C16 | N2 | H17 | 105.2° | 123.3° |
| C20 | C19 | C18 | 111.9° | 110.5° |
| C20 | C19 | H19 | 107.7° | 109.7° |
| C19 | C20 | H20 | 108.9° | 110.1° |
| C19 | C20 | H21 | 108.9° | 109.2° |
| C19 | C18 | N2 | 112.0° | 108.3° |
| C19 | C18 | C27 | 116.1° | 109.4° |
| C19 | C18 | H18 | 102.6° | 110.1° |
| C18 | C19 | H19 | 105.7° | 109.4° |
| N2 | C18 | C27 | 108.6° | 109.2° |
| C18 | N2 | H17 | 105.2° | 121.1° |
| N2 | C18 | H18 | 111.0° | 110.1° |
| C27 | C18 | H18 | 106.4° | 109.7° |
| C18 | C27 | H36 | 109.5° | 109.5° |
| C18 | C27 | H37 | 109.4° | 109.5° |
| C18 | C27 | H38 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 110.9° | 109.0° |
| H6 | C9 | H7 | 109.3° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H8 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H20 | C20 | H21 | 110.0° | 108.7° |
| H22 | C21 | H23 | 111.8° | 109.9° |
| H24 | C22 | H25 | 109.4° | 109.0° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H27 | C25 | H29 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 109.4° |
| H30 | N4 | H31 | 109.5° | 111.0° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H33 | C26 | H35 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H36 | C27 | H38 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.4° |
| H39 | N5 | H40 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C24 | C23 | O2 | 19.8° | 12.3° |
| N4 | C24 | C23 | C25 | 116.1° | 120.0° |
| N4 | C24 | C23 | H26 | 122.9° | 120.0° |
| N4 | C24 | C23 | N3 | 159.9° | 167.7° |
| N4 | C24 | C25 | H26 | 123.1° | 119.9° |
| N4 | C24 | C25 | H27 | 180.0° | 178.4° |
| N4 | C24 | C25 | H28 | 60.0° | 61.6° |
| N4 | C24 | C25 | H29 | 60.0° | 58.5° |
| C24 | N4 | H30 | H31 | 120.0° | 123.9° |
| O2 | C23 | C24 | N3 | 179.7° | 179.9° |
| O2 | C23 | C24 | C25 | 96.3° | 107.6° |
| O2 | C23 | N3 | C21 | 1.2° | 172.7° |
| O2 | C23 | N3 | C20 | 178.9° | 6.6° |
| O2 | C23 | C24 | H26 | 142.7° | 132.3° |
| C1 | C2 | C3 | C22 | 0.7° | 1.0° |
| C1 | C2 | C3 | C5 | 179.8° | 179.8° |
| C1 | C2 | C3 | N1 | 179.8° | 179.3° |
| C1 | C2 | C5 | C6 | 1.5° | 1.1° |
| C1 | C2 | C5 | C4 | 179.6° | 178.8° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C3 | C22 | C21 | H24 | 120.0° | 120.7° |
| C3 | C22 | C21 | H25 | 120.0° | 121.2° |
| C22 | C3 | C2 | N1 | 179.5° | 179.7° |
| C22 | C3 | C2 | C5 | 179.5° | 178.8° |
| C22 | C3 | N1 | C4 | 179.7° | 179.6° |
| C22 | C3 | N1 | C12 | 0.0° | 1.0° |
| C3 | C22 | C21 | N3 | 167.0° | 130.4° |
| C3 | C22 | C21 | H22 | 73.0° | 110.2° |
| C3 | C22 | C21 | H23 | 47.1° | 10.6° |
| C3 | C22 | H24 | H25 | 120.1° | 121.2° |
| C21 | C22 | C3 | C2 | 79.7° | 65.5° |
| C21 | C22 | C3 | N1 | 99.7° | 114.1° |
| C22 | C21 | N3 | C23 | 67.0° | 144.6° |
| C22 | C21 | N3 | H22 | 120.0° | 119.7° |
| C22 | C21 | N3 | H23 | 120.0° | 119.9° |
| C22 | C21 | N3 | C20 | 113.2° | 36.1° |
| C22 | C21 | H22 | H23 | 116.9° | 120.8° |
| C21 | C22 | H24 | H25 | 120.2° | 117.0° |
| C3 | C2 | C5 | C6 | 178.7° | 178.7° |
| C3 | C2 | C5 | C4 | 0.2° | 1.4° |
| C2 | C3 | N1 | C4 | 0.2° | 0.0° |
| C2 | C3 | N1 | C12 | 179.5° | 179.4° |
| C3 | C2 | C1 | H1 | 89.9° | 90.0° |
| C3 | C2 | C1 | H2 | 150.1° | 150.0° |
| C3 | C2 | C1 | H3 | 30.1° | 30.0° |
| C2 | C3 | C22 | H24 | 160.3° | 55.2° |
| C2 | C3 | C22 | H25 | 40.3° | 175.4° |
| C5 | C2 | C3 | N1 | 0.0° | 0.9° |
| C2 | C5 | C6 | C4 | 178.7° | 179.9° |
| C2 | C5 | C6 | O1 | 8.7° | 2.9° |
| C2 | C5 | C6 | C7 | 175.4° | 177.0° |
| C2 | C5 | C4 | N1 | 0.3° | 1.4° |
| C2 | C5 | C4 | C9 | 179.4° | 178.4° |
| C5 | C2 | C1 | H1 | 89.9° | 89.7° |
| C5 | C2 | C1 | H2 | 30.1° | 30.2° |
| C5 | C2 | C1 | H3 | 150.1° | 150.2° |
| C14 | C13 | C12 | H14 | 180.0° | 179.3° |
| C13 | C14 | C15 | H15 | 180.0° | 179.6° |
| C14 | C13 | C12 | N1 | 177.5° | 178.4° |
| C14 | C13 | C12 | C17 | 1.8° | 1.5° |
| C13 | C14 | C15 | C28 | 178.3° | 179.8° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C12 | N1 | C3 | 123.2° | 155.2° |
| C12 | C13 | C14 | C15 | 0.4° | 2.8° |
| C13 | C12 | N1 | C4 | 57.2° | 25.5° |
| C13 | C12 | N1 | C17 | 179.3° | 179.9° |
| C13 | C12 | C17 | C16 | 3.2° | 8.7° |
| C12 | C13 | C14 | H15 | 179.6° | 176.8° |
| C13 | C12 | C17 | H16 | 176.8° | 164.4° |
| C3 | N1 | C4 | C5 | 0.3° | 0.9° |
| C3 | N1 | C4 | C12 | 179.7° | 179.4° |
| C3 | N1 | C4 | C9 | 179.4° | 178.9° |
| C3 | N1 | C12 | C17 | 56.1° | 24.8° |
| N1 | C3 | C22 | H24 | 20.3° | 125.1° |
| N1 | C3 | C22 | H25 | 140.3° | 5.0° |
| C23 | C24 | C25 | H26 | 122.3° | 120.1° |
| C24 | C23 | N3 | C21 | 179.1° | 7.4° |
| C24 | C23 | N3 | C20 | 0.7° | 173.3° |
| C23 | C24 | C25 | H27 | 65.4° | 58.4° |
| C23 | C24 | C25 | H28 | 174.6° | 178.4° |
| C23 | C24 | C25 | H29 | 54.6° | 61.5° |
| C23 | C24 | N4 | H30 | 180.0° | 180.0° |
| C23 | C24 | N4 | H31 | 60.0° | 56.1° |
| N3 | C23 | C24 | C25 | 84.1° | 72.3° |
| C23 | N3 | C21 | C20 | 179.9° | 179.3° |
| C23 | N3 | C20 | C19 | 109.7° | 70.6° |
| C23 | N3 | C20 | H20 | 10.3° | 168.0° |
| C23 | N3 | C20 | H21 | 130.3° | 48.9° |
| C23 | N3 | C21 | H22 | 53.1° | 95.7° |
| C23 | N3 | C21 | H23 | 173.0° | 24.6° |
| N3 | C23 | C24 | H26 | 36.9° | 47.8° |
| C14 | C15 | C28 | N5 | 19.8° | 0.0° |
| C14 | C15 | C28 | C16 | 178.8° | 179.9° |
| C14 | C15 | C28 | O3 | 157.5° | 180.0° |
| C14 | C15 | C16 | C17 | 1.8° | 6.8° |
| C14 | C15 | C16 | N2 | 179.9° | 171.2° |
| C15 | C14 | C13 | H14 | 179.6° | 176.5° |
| C24 | C25 | H27 | H28 | 120.0° | 120.1° |
| C24 | C25 | H27 | H29 | 120.0° | 120.0° |
| C24 | C25 | H28 | H29 | 120.0° | 120.1° |
| C25 | C24 | N4 | H30 | 62.9° | 60.0° |
| C25 | C24 | N4 | H31 | 177.1° | 176.1° |
| C5 | C6 | O1 | C7 | 166.2° | 179.9° |
| C6 | C5 | C4 | N1 | 178.7° | 178.7° |
| C6 | C5 | C4 | C9 | 0.4° | 1.6° |
| C5 | C6 | C7 | C8 | 21.8° | 32.7° |
| C5 | C6 | C7 | H4 | 141.9° | 153.1° |
| C5 | C6 | C7 | H5 | 98.2° | 87.7° |
| C4 | C5 | C6 | O1 | 170.0° | 177.0° |
| C4 | C5 | C6 | C7 | 3.3° | 3.1° |
| C5 | C4 | N1 | C9 | 179.1° | 179.7° |
| C5 | C4 | N1 | C12 | 179.4° | 179.7° |
| C5 | C4 | C9 | C8 | 28.0° | 23.7° |
| C5 | C4 | C9 | H6 | 92.0° | 96.4° |
| C5 | C4 | C9 | H7 | 148.0° | 143.5° |
| O1 | C6 | C7 | C8 | 144.9° | 147.4° |
| O1 | C6 | C7 | H4 | 24.9° | 27.0° |
| O1 | C6 | C7 | H5 | 95.1° | 92.2° |
| C6 | C7 | C8 | H4 | 120.0° | 120.3° |
| C6 | C7 | C8 | H5 | 120.0° | 120.4° |
| C6 | C7 | C8 | C9 | 50.0° | 58.8° |
| C6 | C7 | C8 | C11 | 171.3° | 178.7° |
| C6 | C7 | C8 | C10 | 71.2° | 62.6° |
| C6 | C7 | H4 | H5 | 118.0° | 119.3° |
| C4 | N1 | C12 | C17 | 123.5° | 154.6° |
| N1 | C4 | C9 | C8 | 150.9° | 156.0° |
| N1 | C4 | C9 | H6 | 89.1° | 83.9° |
| N1 | C4 | C9 | H7 | 30.9° | 36.2° |
| C12 | N1 | C4 | C9 | 0.3° | 0.5° |
| N1 | C12 | C17 | C16 | 176.1° | 171.2° |
| N1 | C12 | C13 | H14 | 2.5° | 0.9° |
| N1 | C12 | C17 | H16 | 3.9° | 15.7° |
| N5 | C28 | C15 | O3 | 177.4° | 180.0° |
| N5 | C28 | C15 | C16 | 161.4° | 179.9° |
| C28 | N5 | H39 | H40 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 51.1° | 53.5° |
| C4 | C9 | C8 | H6 | 120.0° | 120.2° |
| C4 | C9 | C8 | H7 | 120.0° | 120.0° |
| C4 | C9 | C8 | C11 | 172.6° | 173.3° |
| C4 | C9 | C8 | C10 | 69.5° | 68.0° |
| C4 | C9 | H6 | H7 | 120.3° | 120.1° |
| C12 | C17 | C16 | C15 | 3.2° | 11.4° |
| C12 | C17 | C16 | H16 | 180.0° | 173.2° |
| C12 | C17 | C16 | N2 | 178.7° | 166.7° |
| C17 | C12 | C13 | H14 | 178.2° | 179.1° |
| C7 | C8 | C9 | C11 | 121.5° | 119.8° |
| C7 | C8 | C9 | C10 | 120.6° | 121.4° |
| C7 | C8 | C11 | C10 | 117.9° | 119.2° |
| C8 | C7 | H4 | H5 | 118.1° | 119.6° |
| C7 | C8 | C9 | H6 | 68.9° | 66.8° |
| C7 | C8 | C9 | H7 | 171.0° | 173.5° |
| C7 | C8 | C10 | H8 | 180.0° | 60.0° |
| C7 | C8 | C10 | H9 | 60.0° | 180.0° |
| C7 | C8 | C10 | H10 | 60.0° | 60.0° |
| C7 | C8 | C11 | H11 | 180.0° | 60.0° |
| C7 | C8 | C11 | H12 | 60.0° | 180.0° |
| C7 | C8 | C11 | H13 | 60.0° | 60.0° |
| C21 | N3 | C20 | C19 | 70.4° | 110.1° |
| C21 | N3 | C20 | H20 | 169.6° | 11.4° |
| C21 | N3 | C20 | H21 | 49.6° | 130.4° |
| N3 | C21 | H22 | H23 | 116.9° | 120.2° |
| N3 | C21 | C22 | H24 | 47.1° | 108.9° |
| N3 | C21 | C22 | H25 | 72.9° | 9.2° |
| C9 | C8 | C11 | C10 | 119.1° | 119.3° |
| C9 | C8 | C7 | H4 | 170.1° | 179.1° |
| C9 | C8 | C7 | H5 | 70.0° | 61.5° |
| C8 | C9 | H6 | H7 | 120.3° | 119.7° |
| C9 | C8 | C10 | H8 | 57.3° | 177.4° |
| C9 | C8 | C10 | H9 | 62.8° | 57.4° |
| C9 | C8 | C10 | H10 | 177.3° | 62.5° |
| C9 | C8 | C11 | H11 | 56.9° | 61.5° |
| C9 | C8 | C11 | H12 | 176.9° | 58.5° |
| C9 | C8 | C11 | H13 | 63.1° | 178.5° |
| N3 | C20 | C19 | C26 | 99.5° | 100.8° |
| N3 | C20 | C19 | H20 | 120.0° | 121.4° |
| N3 | C20 | C19 | H21 | 120.0° | 119.4° |
| N3 | C20 | C19 | C18 | 132.2° | 139.7° |
| N3 | C20 | C19 | H19 | 16.4° | 19.0° |
| N3 | C20 | H20 | H21 | 119.3° | 119.2° |
| C20 | N3 | C21 | H22 | 126.8° | 83.6° |
| C20 | N3 | C21 | H23 | 6.8° | 156.0° |
| C28 | C15 | C16 | C17 | 177.0° | 173.3° |
| C28 | C15 | C16 | N2 | 1.0° | 8.8° |
| C28 | C15 | C14 | H15 | 1.7° | 0.6° |
| C15 | C28 | N5 | H39 | 177.4° | 0.0° |
| C15 | C28 | N5 | H40 | 2.6° | 180.0° |
| C16 | C15 | C28 | O3 | 21.3° | 0.1° |
| C15 | C16 | C17 | N2 | 178.1° | 178.1° |
| C15 | C16 | N2 | C18 | 159.3° | 156.1° |
| C16 | C15 | C14 | H15 | 179.5° | 179.4° |
| C15 | C16 | C17 | H16 | 176.8° | 161.9° |
| C15 | C16 | N2 | H17 | 80.7° | 24.3° |
| C26 | C19 | C20 | C18 | 128.2° | 119.5° |
| C26 | C19 | C20 | H19 | 116.0° | 119.8° |
| C26 | C19 | C18 | H19 | 115.7° | 119.0° |
| C26 | C19 | C18 | N2 | 74.8° | 83.4° |
| C26 | C19 | C18 | C27 | 50.7° | 35.6° |
| C26 | C19 | C18 | H18 | 166.2° | 156.2° |
| C26 | C19 | C20 | H20 | 20.5° | 137.8° |
| C26 | C19 | C20 | H21 | 140.5° | 18.6° |
| C19 | C26 | H33 | H34 | 120.0° | 119.9° |
| C19 | C26 | H33 | H35 | 120.0° | 120.0° |
| C19 | C26 | H34 | H35 | 120.0° | 120.0° |
| O3 | C28 | N5 | H39 | 0.0° | 179.9° |
| O3 | C28 | N5 | H40 | 180.0° | 0.0° |
| C17 | C16 | N2 | C18 | 22.7° | 21.9° |
| C17 | C16 | N2 | H17 | 97.3° | 157.7° |
| C11 | C8 | C7 | H4 | 68.7° | 61.0° |
| C11 | C8 | C7 | H5 | 51.3° | 58.4° |
| C11 | C8 | C9 | H6 | 52.6° | 53.1° |
| C11 | C8 | C9 | H7 | 67.5° | 66.7° |
| C11 | C8 | C10 | H8 | 61.4° | 58.7° |
| C11 | C8 | C10 | H9 | 178.5° | 61.3° |
| C11 | C8 | C10 | H10 | 58.6° | 178.7° |
| C8 | C11 | H11 | H12 | 120.0° | 119.9° |
| C8 | C11 | H11 | H13 | 120.0° | 120.0° |
| C8 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C8 | C7 | H4 | 48.8° | 57.7° |
| C10 | C8 | C7 | H5 | 168.8° | 177.0° |
| C10 | C8 | C9 | H6 | 170.5° | 171.8° |
| C10 | C8 | C9 | H7 | 50.5° | 52.0° |
| C8 | C10 | H8 | H9 | 120.0° | 120.0° |
| C8 | C10 | H8 | H10 | 120.0° | 120.1° |
| C8 | C10 | H9 | H10 | 119.9° | 120.0° |
| C10 | C8 | C11 | H11 | 62.1° | 179.2° |
| C10 | C8 | C11 | H12 | 57.8° | 60.8° |
| C10 | C8 | C11 | H13 | 177.9° | 59.2° |
| C16 | N2 | C18 | C19 | 53.3° | 63.3° |
| C16 | N2 | C18 | H17 | 120.0° | 179.6° |
| C16 | N2 | C18 | C27 | 177.3° | 177.6° |
| N2 | C16 | C17 | H16 | 1.3° | 20.1° |
| C16 | N2 | C18 | H18 | 60.7° | 57.1° |
| C20 | C19 | C18 | H19 | 117.0° | 120.9° |
| C20 | C19 | C18 | N2 | 157.9° | 156.6° |
| C20 | C19 | C18 | C27 | 76.6° | 84.5° |
| C20 | C19 | C18 | H18 | 38.9° | 36.2° |
| C19 | C20 | H20 | H21 | 119.3° | 119.5° |
| C20 | C19 | C26 | H33 | 180.0° | 60.0° |
| C20 | C19 | C26 | H34 | 60.0° | 180.0° |
| C20 | C19 | C26 | H35 | 60.0° | 60.0° |
| C19 | C18 | N2 | C27 | 129.5° | 119.1° |
| C19 | C18 | N2 | H18 | 113.9° | 120.4° |
| C19 | C18 | C27 | H18 | 113.3° | 120.9° |
| C19 | C18 | N2 | H17 | 173.3° | 117.1° |
| C18 | C19 | C20 | H20 | 107.8° | 18.3° |
| C18 | C19 | C20 | H21 | 12.2° | 100.9° |
| C18 | C19 | C26 | H33 | 52.5° | 60.6° |
| C18 | C19 | C26 | H34 | 172.5° | 59.4° |
| C18 | C19 | C26 | H35 | 67.5° | 179.4° |
| C19 | C18 | C27 | H36 | 180.0° | 58.4° |
| C19 | C18 | C27 | H37 | 60.0° | 61.6° |
| C19 | C18 | C27 | H38 | 60.0° | 178.4° |
| N2 | C18 | C27 | H18 | 119.5° | 120.7° |
| N2 | C18 | C19 | H19 | 40.9° | 35.7° |
| N2 | C18 | C27 | H36 | 52.8° | 60.0° |
| N2 | C18 | C27 | H37 | 67.2° | 180.0° |
| N2 | C18 | C27 | H38 | 172.8° | 60.0° |
| C27 | C18 | N2 | H17 | 57.3° | 2.0° |
| C27 | C18 | C19 | H19 | 166.4° | 154.6° |
| C18 | C27 | H36 | H37 | 120.0° | 120.0° |
| C18 | C27 | H36 | H38 | 120.0° | 120.1° |
| C18 | C27 | H37 | H38 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H8 | C10 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | C14 | H15 | 0.4° | 3.9° |
| H17 | N2 | C18 | H18 | 59.3° | 122.5° |
| H18 | C18 | C19 | H19 | 78.1° | 84.7° |
| H18 | C18 | C27 | H36 | 66.7° | 179.3° |
| H18 | C18 | C27 | H37 | 173.3° | 59.3° |
| H18 | C18 | C27 | H38 | 53.3° | 60.7° |
| H19 | C19 | C20 | H20 | 136.5° | 102.4° |
| H19 | C19 | C20 | H21 | 103.6° | 138.3° |
| H19 | C19 | C26 | H33 | 63.0° | 179.8° |
| H19 | C19 | C26 | H34 | 57.0° | 59.9° |
| H19 | C19 | C26 | H35 | 177.0° | 60.1° |
| H22 | C21 | C22 | H24 | 167.1° | 10.5° |
| H22 | C21 | C22 | H25 | 47.1° | 128.6° |
| H23 | C21 | C22 | H24 | 72.9° | 131.4° |
| H23 | C21 | C22 | H25 | 167.1° | 110.6° |
| H26 | C24 | C25 | H27 | 56.9° | 61.6° |
| H26 | C24 | C25 | H28 | 63.1° | 58.4° |
| H26 | C24 | C25 | H29 | 176.9° | 178.4° |
| H26 | C24 | N4 | H30 | 58.0° | 59.9° |
| H26 | C24 | N4 | H31 | 62.0° | 63.9° |
| H27 | C25 | H28 | H29 | 120.0° | 119.9° |
| H33 | C26 | H34 | H35 | 120.0° | 120.1° |
| H36 | C27 | H37 | H38 | 120.0° | 120.0° |
