MJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C23 | C21 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C9 | sing | 1.53Å | 1.54Å | |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C8 | sing | 1.51Å | 1.51Å | |
| C1 | C5 | doub | 1.35Å | 1.34Å | |
| C1 | C2 | sing | 1.40Å | 1.39Å | |
| C5 | N1 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.37Å | 1.40Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.35Å | 1.40Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.41Å | 1.38Å | |
| C3 | N2 | sing | 1.40Å | 1.41Å | |
| C4 | O3 | doub | 1.22Å | 1.22Å | |
| N2 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| N3 | C11 | sing | 1.47Å | 1.45Å | |
| O1 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C18 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C19 | N5 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.55Å | 1.51Å | |
| C14 | C17 | sing | 1.51Å | 1.52Å | |
| O5 | C17 | doub | 1.21Å | 1.25Å | |
| C18 | N5 | sing | 1.35Å | 1.32Å | |
| C18 | O6 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C17 | N4 | sing | 1.34Å | 1.30Å | |
| N4 | C16 | sing | 1.47Å | 1.46Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 60.2° | 60.0° |
| C22 | C23 | C21 | 60.4° | 60.0° |
| C23 | C22 | H14 | 120.0° | 117.5° |
| C23 | C22 | H15 | 120.0° | 117.5° |
| C22 | C23 | H33 | 119.9° | 117.5° |
| C22 | C23 | H34 | 120.0° | 117.5° |
| C22 | C21 | C23 | 59.4° | 60.0° |
| C22 | C21 | C20 | 121.6° | 117.5° |
| C22 | C21 | H13 | 114.7° | 117.5° |
| C21 | C22 | H14 | 120.0° | 117.5° |
| C21 | C22 | H15 | 120.0° | 117.6° |
| C23 | C21 | C20 | 120.9° | 117.5° |
| C23 | C21 | H13 | 114.8° | 117.4° |
| C21 | C23 | H33 | 119.9° | 117.5° |
| C21 | C23 | H34 | 120.0° | 117.6° |
| C27 | C26 | C25 | 120.0° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C27 | C26 | H16 | 120.0° | 120.0° |
| C26 | C27 | H36 | 120.0° | 120.0° |
| C26 | C25 | C24 | 121.0° | 120.0° |
| C25 | C26 | H16 | 120.0° | 120.0° |
| C26 | C25 | H35 | 119.5° | 120.1° |
| C21 | C20 | C9 | 113.3° | 109.5° |
| C21 | C20 | H11 | 108.5° | 109.5° |
| C21 | C20 | H12 | 108.5° | 109.5° |
| C20 | C21 | H13 | 114.5° | 115.6° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H17 | 119.9° | 120.0° |
| C28 | C27 | H36 | 120.0° | 120.0° |
| C25 | C24 | C29 | 118.2° | 120.0° |
| C25 | C24 | C8 | 120.9° | 120.0° |
| C24 | C25 | H35 | 119.5° | 119.9° |
| C28 | C29 | C24 | 120.7° | 120.0° |
| C29 | C28 | H17 | 120.0° | 120.0° |
| C28 | C29 | H37 | 119.6° | 120.0° |
| C20 | C9 | N1 | 113.8° | 109.5° |
| C20 | C9 | C10 | 113.8° | 109.5° |
| C9 | C20 | H11 | 108.5° | 109.5° |
| C9 | C20 | H12 | 108.5° | 109.5° |
| C20 | C9 | H21 | 107.1° | 109.5° |
| C29 | C24 | C8 | 120.9° | 120.0° |
| C24 | C29 | H37 | 119.6° | 120.0° |
| C24 | C8 | C7 | 114.5° | 109.5° |
| C24 | C8 | H5 | 108.2° | 109.5° |
| C24 | C8 | H6 | 108.2° | 109.5° |
| C5 | C1 | C2 | 118.9° | 120.0° |
| C1 | C5 | N1 | 121.5° | 120.8° |
| C1 | C5 | H2 | 119.2° | 119.6° |
| C5 | C1 | H18 | 120.5° | 120.0° |
| C1 | C2 | C3 | 119.7° | 119.3° |
| C2 | C1 | H18 | 120.6° | 120.0° |
| C1 | C2 | H19 | 120.2° | 120.3° |
| C5 | N1 | C9 | 119.7° | 119.6° |
| C5 | N1 | C4 | 122.0° | 120.8° |
| N1 | C5 | H2 | 119.2° | 119.6° |
| C2 | C3 | C4 | 122.0° | 119.2° |
| C2 | C3 | N2 | 121.7° | 120.4° |
| C3 | C2 | H19 | 120.2° | 120.4° |
| C9 | N1 | C4 | 118.2° | 119.7° |
| N1 | C9 | C10 | 106.7° | 109.5° |
| N1 | C9 | H21 | 107.8° | 109.4° |
| N1 | C4 | C3 | 115.9° | 120.0° |
| N1 | C4 | O3 | 119.0° | 120.0° |
| C9 | C10 | N3 | 118.8° | 120.0° |
| C9 | C10 | O4 | 119.2° | 120.0° |
| C10 | C9 | H21 | 107.2° | 109.5° |
| C8 | C7 | C6 | 113.2° | 109.5° |
| C8 | C7 | H3 | 108.5° | 109.5° |
| C8 | C7 | H4 | 108.5° | 109.4° |
| C7 | C8 | H5 | 108.2° | 109.4° |
| C7 | C8 | H6 | 108.2° | 109.4° |
| C4 | C3 | N2 | 116.3° | 120.4° |
| C3 | C4 | O3 | 125.1° | 120.0° |
| C3 | N2 | C6 | 125.8° | 120.0° |
| C3 | N2 | H20 | 117.1° | 120.0° |
| N2 | C6 | O2 | 121.7° | 120.0° |
| N2 | C6 | C7 | 116.2° | 120.0° |
| C6 | N2 | H20 | 117.1° | 120.0° |
| O2 | C6 | C7 | 122.1° | 120.0° |
| C6 | C7 | H3 | 108.6° | 109.5° |
| C6 | C7 | H4 | 108.5° | 109.5° |
| N3 | C10 | O4 | 121.9° | 120.0° |
| C10 | N3 | C11 | 122.8° | 120.0° |
| C10 | N3 | H1 | 118.6° | 120.0° |
| N3 | C11 | C12 | 109.5° | 109.5° |
| N3 | C11 | C13 | 110.3° | 109.5° |
| C11 | N3 | H1 | 118.6° | 120.0° |
| N3 | C11 | H22 | 108.2° | 109.5° |
| O1 | C12 | C11 | 114.2° | 109.5° |
| O1 | C12 | C18 | 111.6° | 109.5° |
| O1 | C12 | H23 | 107.4° | 109.5° |
| C12 | O1 | H28 | 109.5° | 114.0° |
| C11 | C12 | C18 | 110.7° | 109.5° |
| C12 | C11 | C13 | 114.3° | 109.5° |
| C12 | C11 | H22 | 107.1° | 109.4° |
| C11 | C12 | H23 | 106.1° | 109.4° |
| C12 | C18 | N5 | 119.6° | 120.0° |
| C12 | C18 | O6 | 116.8° | 120.0° |
| C18 | C12 | H23 | 106.4° | 109.5° |
| C11 | C13 | C14 | 111.2° | 109.5° |
| C11 | C13 | H7 | 109.1° | 109.5° |
| C11 | C13 | H8 | 109.0° | 109.4° |
| C13 | C11 | H22 | 107.3° | 109.5° |
| C19 | N5 | C18 | 124.9° | 120.0° |
| C19 | N5 | H29 | 117.5° | 120.0° |
| N5 | C19 | H30 | 109.5° | 109.4° |
| N5 | C19 | H31 | 109.5° | 109.5° |
| N5 | C19 | H32 | 109.5° | 109.4° |
| C13 | C14 | C15 | 116.7° | 110.5° |
| C13 | C14 | C17 | 115.2° | 110.5° |
| C14 | C13 | H7 | 109.0° | 109.5° |
| C14 | C13 | H8 | 109.0° | 109.5° |
| C13 | C14 | H24 | 106.5° | 110.4° |
| C15 | C14 | C17 | 104.5° | 104.2° |
| C14 | C15 | C16 | 105.7° | 101.8° |
| C14 | C15 | H9 | 110.4° | 110.9° |
| C14 | C15 | H10 | 110.4° | 111.0° |
| C15 | C14 | H24 | 106.6° | 110.4° |
| C14 | C17 | O5 | 125.4° | 124.9° |
| C14 | C17 | N4 | 109.4° | 110.1° |
| C17 | C14 | H24 | 106.5° | 110.6° |
| O5 | C17 | N4 | 125.2° | 125.0° |
| N5 | C18 | O6 | 123.4° | 120.0° |
| C18 | N5 | H29 | 117.6° | 120.0° |
| C15 | C16 | N4 | 104.3° | 105.5° |
| C16 | C15 | H9 | 110.4° | 111.0° |
| C16 | C15 | H10 | 110.4° | 111.0° |
| C15 | C16 | H25 | 110.8° | 110.3° |
| C15 | C16 | H26 | 110.7° | 110.2° |
| C17 | N4 | C16 | 114.4° | 111.3° |
| C17 | N4 | H27 | 122.8° | 124.3° |
| N4 | C16 | H25 | 110.7° | 110.3° |
| N4 | C16 | H26 | 110.7° | 110.3° |
| C16 | N4 | H27 | 122.8° | 124.3° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 110.8° |
| H11 | C20 | H12 | 109.4° | 109.4° |
| H14 | C22 | H15 | 109.5° | 115.5° |
| H25 | C16 | H26 | 109.5° | 110.2° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H32 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H14 | 109.5° | 107.5° |
| C23 | C22 | C21 | H15 | 109.5° | 107.5° |
| C22 | C23 | C21 | H33 | 109.5° | 107.5° |
| C22 | C23 | C21 | H34 | 109.6° | 107.5° |
| C23 | C22 | C21 | C20 | 109.7° | 107.5° |
| C23 | C22 | C21 | H13 | 105.3° | 107.4° |
| C23 | C22 | H14 | H15 | 144.6° | 145.6° |
| C22 | C23 | H33 | H34 | 144.5° | 145.7° |
| C22 | C21 | C20 | H13 | 145.1° | 145.7° |
| C22 | C21 | C20 | C9 | 178.2° | 175.1° |
| C22 | C21 | C20 | H11 | 57.6° | 64.9° |
| C22 | C21 | C20 | H12 | 61.2° | 55.1° |
| C21 | C22 | H14 | H15 | 144.6° | 145.7° |
| C23 | C21 | C20 | H13 | 144.1° | 145.7° |
| C23 | C21 | C20 | C9 | 107.4° | 116.3° |
| C23 | C21 | C20 | H11 | 13.2° | 3.8° |
| C23 | C21 | C20 | H12 | 132.1° | 123.7° |
| C21 | C23 | H33 | H34 | 144.6° | 145.7° |
| C27 | C26 | C25 | H16 | 180.0° | 179.6° |
| C26 | C27 | C28 | H36 | 180.0° | 179.6° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.6° |
| C26 | C27 | C28 | H17 | 180.0° | 179.9° |
| C27 | C26 | C25 | H35 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C26 | C25 | C24 | H35 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.7° | 0.0° |
| C26 | C25 | C24 | C8 | 179.3° | 179.7° |
| C25 | C26 | C27 | H36 | 179.8° | 180.0° |
| C21 | C20 | C9 | H11 | 120.6° | 120.0° |
| C21 | C20 | C9 | H12 | 120.6° | 120.0° |
| C21 | C20 | C9 | N1 | 65.5° | 65.0° |
| C21 | C20 | C9 | C10 | 171.9° | 175.0° |
| C21 | C20 | H11 | H12 | 118.3° | 120.0° |
| C20 | C21 | C22 | H14 | 0.2° | 145.0° |
| C20 | C21 | C22 | H15 | 140.8° | 0.0° |
| C21 | C20 | C9 | H21 | 53.6° | 55.0° |
| C20 | C21 | C23 | H33 | 139.7° | 0.0° |
| C20 | C21 | C23 | H34 | 1.2° | 145.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.5° |
| C27 | C28 | C29 | C24 | 0.6° | 0.5° |
| C28 | C27 | C26 | H16 | 179.8° | 180.0° |
| C27 | C28 | C29 | H37 | 179.4° | 179.5° |
| C25 | C24 | C29 | C28 | 0.9° | 0.3° |
| C25 | C24 | C29 | C8 | 180.0° | 179.7° |
| C25 | C24 | C8 | C7 | 84.4° | 89.7° |
| C25 | C24 | C8 | H5 | 154.8° | 150.3° |
| C25 | C24 | C8 | H6 | 36.4° | 30.2° |
| C24 | C25 | C26 | H16 | 179.9° | 179.7° |
| C25 | C24 | C29 | H37 | 179.1° | 179.7° |
| C28 | C29 | C24 | H37 | 180.0° | 180.0° |
| C28 | C29 | C24 | C8 | 179.1° | 180.0° |
| C29 | C28 | C27 | H36 | 180.0° | 179.8° |
| C20 | C9 | N1 | C5 | 32.3° | 60.3° |
| C20 | C9 | N1 | C10 | 126.4° | 120.0° |
| C20 | C9 | N1 | H21 | 118.7° | 120.0° |
| C20 | C9 | N1 | C4 | 150.9° | 120.0° |
| C20 | C9 | C10 | H21 | 118.2° | 120.0° |
| C20 | C9 | C10 | N3 | 84.3° | 60.0° |
| C20 | C9 | C10 | O4 | 98.8° | 119.9° |
| C9 | C20 | H11 | H12 | 118.2° | 120.0° |
| C9 | C20 | C21 | H13 | 36.7° | 29.4° |
| C29 | C24 | C8 | C7 | 95.6° | 90.0° |
| C29 | C24 | C8 | H5 | 25.2° | 30.0° |
| C29 | C24 | C8 | H6 | 143.6° | 150.0° |
| C24 | C29 | C28 | H17 | 179.4° | 180.0° |
| C29 | C24 | C25 | H35 | 179.3° | 180.0° |
| C24 | C8 | C7 | H5 | 120.8° | 120.0° |
| C24 | C8 | C7 | H6 | 120.7° | 120.0° |
| C24 | C8 | C7 | C6 | 66.4° | NaN° |
| C24 | C8 | C7 | H3 | 54.2° | 60.0° |
| C24 | C8 | C7 | H4 | 173.1° | 60.0° |
| C24 | C8 | H5 | H6 | 117.6° | 120.1° |
| C8 | C24 | C25 | H35 | 0.7° | 0.3° |
| C8 | C24 | C29 | H37 | 0.9° | 0.0° |
| C5 | C1 | C2 | H18 | 180.0° | 180.0° |
| C1 | C5 | N1 | H2 | 180.0° | 180.0° |
| C5 | C1 | C2 | C3 | 1.5° | 0.3° |
| C1 | C5 | N1 | C9 | 179.0° | 179.9° |
| C1 | C5 | N1 | C4 | 2.3° | 0.2° |
| C5 | C1 | C2 | H19 | 178.5° | 180.0° |
| C2 | C1 | C5 | N1 | 0.5° | 0.0° |
| C1 | C2 | C3 | H19 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 1.8° | 0.3° |
| C1 | C2 | C3 | N2 | 178.6° | 180.0° |
| C2 | C1 | C5 | H2 | 179.5° | 180.0° |
| C5 | N1 | C9 | C4 | 176.8° | 179.7° |
| C5 | N1 | C9 | C10 | 94.1° | 59.7° |
| C5 | N1 | C4 | C3 | 2.0° | 0.2° |
| C5 | N1 | C4 | O3 | 179.4° | 179.8° |
| N1 | C5 | C1 | H18 | 179.5° | 180.0° |
| C5 | N1 | C9 | H21 | 151.0° | 179.7° |
| C2 | C3 | C4 | N1 | 0.1° | 0.0° |
| C2 | C3 | C4 | N2 | 179.6° | 179.7° |
| C2 | C3 | C4 | O3 | 178.5° | 180.0° |
| C2 | C3 | N2 | C6 | 24.2° | 121.1° |
| C3 | C2 | C1 | H18 | 178.5° | 179.8° |
| C2 | C3 | N2 | H20 | 155.8° | 58.9° |
| N1 | C9 | C10 | H21 | 115.3° | 120.0° |
| C9 | N1 | C4 | C3 | 178.7° | 179.9° |
| C9 | N1 | C4 | O3 | 2.7° | 0.1° |
| N1 | C9 | C10 | N3 | 149.3° | 180.0° |
| N1 | C9 | C10 | O4 | 27.6° | 0.1° |
| C9 | N1 | C5 | H2 | 1.0° | 0.0° |
| N1 | C9 | C20 | H11 | 173.9° | 175.0° |
| N1 | C9 | C20 | H12 | 55.1° | 55.1° |
| C4 | N1 | C9 | C10 | 82.7° | 120.0° |
| N1 | C4 | C3 | O3 | 178.5° | 180.0° |
| N1 | C4 | C3 | N2 | 179.7° | 179.7° |
| C4 | N1 | C5 | H2 | 177.7° | 179.7° |
| C4 | N1 | C9 | H21 | 32.3° | 0.0° |
| C9 | C10 | N3 | O4 | 176.8° | 179.9° |
| C9 | C10 | N3 | C11 | 176.3° | 180.0° |
| C9 | C10 | N3 | H1 | 3.7° | 0.1° |
| C10 | C9 | C20 | H11 | 51.3° | 55.0° |
| C10 | C9 | C20 | H12 | 67.5° | 65.0° |
| C8 | C7 | C6 | N2 | 73.6° | 180.0° |
| C8 | C7 | C6 | O2 | 103.4° | 0.0° |
| C8 | C7 | C6 | H3 | 120.5° | 120.0° |
| C8 | C7 | C6 | H4 | 120.6° | 120.0° |
| C8 | C7 | H3 | H4 | 118.3° | 119.9° |
| C7 | C8 | H5 | H6 | 117.7° | 120.0° |
| C4 | C3 | N2 | C6 | 156.2° | 59.2° |
| C4 | C3 | C2 | H19 | 178.2° | 179.9° |
| C4 | C3 | N2 | H20 | 23.8° | 120.9° |
| N2 | C3 | C4 | O3 | 1.1° | 0.3° |
| C3 | N2 | C6 | H20 | 180.0° | 180.0° |
| C3 | N2 | C6 | O2 | 0.6° | 4.8° |
| C3 | N2 | C6 | C7 | 177.6° | 175.2° |
| N2 | C3 | C2 | H19 | 1.4° | 0.3° |
| N2 | C6 | O2 | C7 | 176.9° | 180.0° |
| N2 | C6 | C7 | H3 | 165.8° | 60.0° |
| N2 | C6 | C7 | H4 | 46.9° | 60.0° |
| O2 | C6 | C7 | H3 | 17.1° | 120.0° |
| O2 | C6 | C7 | H4 | 136.0° | 119.9° |
| O2 | C6 | N2 | H20 | 179.4° | 175.2° |
| C6 | C7 | H3 | H4 | 118.3° | 120.1° |
| C6 | C7 | C8 | H5 | 172.9° | 60.0° |
| C6 | C7 | C8 | H6 | 54.4° | 60.0° |
| C7 | C6 | N2 | H20 | 2.3° | 4.9° |
| C10 | N3 | C11 | H1 | 180.0° | 179.9° |
| C10 | N3 | C11 | C12 | 117.7° | 90.6° |
| C10 | N3 | C11 | C13 | 115.7° | 149.3° |
| N3 | C10 | C9 | H21 | 33.9° | 60.0° |
| C10 | N3 | C11 | H22 | 1.3° | 29.3° |
| O4 | C10 | N3 | C11 | 6.9° | 0.1° |
| O4 | C10 | N3 | H1 | 173.1° | 180.0° |
| O4 | C10 | C9 | H21 | 143.0° | 120.0° |
| N3 | C11 | C12 | O1 | 43.5° | 61.1° |
| N3 | C11 | C12 | C13 | 124.3° | 120.0° |
| N3 | C11 | C12 | H22 | 117.0° | 120.0° |
| N3 | C11 | C12 | C18 | 170.4° | 178.8° |
| N3 | C11 | C13 | H22 | 117.6° | 120.0° |
| N3 | C11 | C13 | C14 | 50.6° | 61.2° |
| N3 | C11 | C13 | H7 | 69.7° | 58.8° |
| N3 | C11 | C13 | H8 | 170.8° | 178.7° |
| N3 | C11 | C12 | H23 | 74.6° | 58.8° |
| O1 | C12 | C11 | C18 | 126.9° | 120.0° |
| O1 | C12 | C11 | H23 | 118.1° | 120.0° |
| O1 | C12 | C18 | H23 | 116.9° | 120.0° |
| O1 | C12 | C11 | C13 | 167.8° | 178.8° |
| O1 | C12 | C18 | N5 | 8.7° | 167.9° |
| O1 | C12 | C18 | O6 | 166.8° | 12.1° |
| O1 | C12 | C11 | H22 | 73.6° | 58.8° |
| C11 | C12 | C18 | H23 | 114.8° | 119.9° |
| C12 | C11 | C13 | H22 | 118.6° | 120.0° |
| C12 | C11 | C13 | C14 | 174.4° | 178.7° |
| C11 | C12 | C18 | N5 | 119.6° | 72.1° |
| C11 | C12 | C18 | O6 | 64.8° | 107.9° |
| C12 | C11 | N3 | H1 | 62.3° | 89.5° |
| C12 | C11 | C13 | H7 | 54.1° | 61.2° |
| C12 | C11 | C13 | H8 | 65.3° | 58.7° |
| C11 | C12 | O1 | H28 | 180.0° | 60.0° |
| C18 | C12 | C11 | C13 | 65.3° | 58.8° |
| C12 | C18 | N5 | C19 | 29.4° | 175.6° |
| C12 | C18 | N5 | O6 | 175.2° | 180.0° |
| C18 | C12 | C11 | H22 | 53.3° | 61.2° |
| C18 | C12 | O1 | H28 | 53.6° | 179.9° |
| C12 | C18 | N5 | H29 | 150.6° | 4.3° |
| C11 | C13 | C14 | H7 | 120.3° | 120.0° |
| C11 | C13 | C14 | H8 | 120.3° | 120.0° |
| C11 | C13 | C14 | C15 | 65.9° | 63.8° |
| C11 | C13 | C14 | C17 | 170.9° | 178.6° |
| C13 | C11 | N3 | H1 | 64.3° | 30.6° |
| C11 | C13 | H7 | H8 | 119.2° | 119.9° |
| C13 | C11 | C12 | H23 | 49.7° | 61.2° |
| C11 | C13 | C14 | H24 | 53.0° | 58.7° |
| C19 | N5 | C18 | H29 | 180.0° | 179.9° |
| C19 | N5 | C18 | O6 | 155.4° | 4.4° |
| N5 | C19 | H30 | H31 | 120.0° | 120.0° |
| N5 | C19 | H30 | H32 | 120.0° | 120.0° |
| N5 | C19 | H31 | H32 | 120.0° | 120.0° |
| C13 | C14 | C15 | C17 | 128.6° | 118.7° |
| C13 | C14 | C15 | H24 | 118.8° | 122.5° |
| C13 | C14 | C17 | H24 | 117.9° | 122.6° |
| C13 | C14 | C17 | O5 | 61.1° | 45.1° |
| C13 | C14 | C15 | C16 | 116.0° | 143.5° |
| C13 | C14 | C17 | N4 | 120.0° | 135.0° |
| C14 | C13 | H7 | H8 | 119.2° | 120.0° |
| C13 | C14 | C15 | H9 | 3.4° | 25.4° |
| C13 | C14 | C15 | H10 | 124.6° | 98.3° |
| C14 | C13 | C11 | H22 | 67.0° | 58.8° |
| C15 | C14 | C17 | H24 | 112.7° | 118.7° |
| C15 | C14 | C17 | O5 | 169.4° | 163.8° |
| C14 | C15 | C16 | H9 | 119.4° | 118.1° |
| C14 | C15 | C16 | H10 | 119.4° | 118.2° |
| C15 | C14 | C17 | N4 | 9.5° | 16.2° |
| C14 | C15 | C16 | N4 | 11.4° | 25.4° |
| C15 | C14 | C13 | H7 | 173.8° | 176.1° |
| C15 | C14 | C13 | H8 | 54.4° | 56.1° |
| C14 | C15 | H9 | H10 | 121.8° | 123.8° |
| C14 | C15 | C16 | H25 | 107.8° | 144.4° |
| C14 | C15 | C16 | H26 | 130.6° | 93.7° |
| C14 | C17 | O5 | N4 | 178.7° | 179.9° |
| C17 | C14 | C15 | C16 | 12.6° | 24.8° |
| C14 | C17 | N4 | C16 | 2.3° | 0.4° |
| C17 | C14 | C13 | H7 | 50.6° | 61.3° |
| C17 | C14 | C13 | H8 | 68.9° | 58.7° |
| C17 | C14 | C15 | H9 | 132.0° | 93.3° |
| C17 | C14 | C15 | H10 | 106.8° | 143.0° |
| C14 | C17 | N4 | H27 | 177.7° | 179.6° |
| O5 | C17 | N4 | C16 | 176.6° | 179.6° |
| O5 | C17 | C14 | H24 | 56.7° | 77.5° |
| O5 | C17 | N4 | H27 | 3.4° | 0.5° |
| N5 | C18 | C12 | H23 | 125.6° | 47.9° |
| C18 | N5 | C19 | H30 | 180.0° | 60.0° |
| C18 | N5 | C19 | H31 | 60.0° | 60.0° |
| C18 | N5 | C19 | H32 | 60.0° | 180.0° |
| O6 | C18 | C12 | H23 | 50.0° | 132.1° |
| O6 | C18 | N5 | H29 | 24.6° | 175.7° |
| C15 | C16 | N4 | C17 | 5.9° | 17.0° |
| C15 | C16 | N4 | H25 | 119.2° | 119.1° |
| C15 | C16 | N4 | H26 | 119.2° | 119.0° |
| C16 | C15 | H9 | H10 | 121.7° | 123.8° |
| C16 | C15 | C14 | H24 | 125.2° | 94.0° |
| C15 | C16 | H25 | H26 | 122.4° | 121.9° |
| C15 | C16 | N4 | H27 | 174.1° | 163.0° |
| C17 | N4 | C16 | H27 | 180.0° | 179.9° |
| N4 | C17 | C14 | H24 | 122.2° | 102.4° |
| C17 | N4 | C16 | H25 | 113.3° | 136.0° |
| C17 | N4 | C16 | H26 | 125.1° | 102.0° |
| N4 | C16 | C15 | H9 | 130.8° | 92.7° |
| N4 | C16 | C15 | H10 | 108.0° | 143.6° |
| N4 | C16 | H25 | H26 | 122.4° | 122.0° |
| H1 | N3 | C11 | H22 | 178.7° | 150.6° |
| H2 | C5 | C1 | H18 | 0.5° | 0.1° |
| H3 | C7 | C8 | H5 | 66.6° | 180.0° |
| H3 | C7 | C8 | H6 | 174.9° | 60.0° |
| H4 | C7 | C8 | H5 | 52.3° | 60.0° |
| H4 | C7 | C8 | H6 | 66.2° | 180.0° |
| H7 | C13 | C11 | H22 | 172.7° | 178.8° |
| H7 | C13 | C14 | H24 | 67.3° | 61.4° |
| H8 | C13 | C11 | H22 | 53.2° | 61.2° |
| H8 | C13 | C14 | H24 | 173.3° | 178.7° |
| H9 | C15 | C14 | H24 | 115.4° | 147.9° |
| H9 | C15 | C16 | H25 | 11.6° | 26.4° |
| H9 | C15 | C16 | H26 | 110.0° | 148.2° |
| H10 | C15 | C14 | H24 | 5.8° | 24.2° |
| H10 | C15 | C16 | H25 | 132.8° | 97.4° |
| H10 | C15 | C16 | H26 | 11.2° | 24.5° |
| H11 | C20 | C21 | H13 | 157.3° | 149.4° |
| H11 | C20 | C9 | H21 | 67.0° | 65.1° |
| H12 | C20 | C21 | H13 | 83.9° | 90.6° |
| H12 | C20 | C9 | H21 | 174.2° | 175.0° |
| H13 | C21 | C22 | H14 | 145.2° | 0.1° |
| H13 | C21 | C22 | H15 | 4.3° | 145.1° |
| H13 | C21 | C23 | H33 | 4.3° | 145.0° |
| H13 | C21 | C23 | H34 | 145.2° | 0.0° |
| H14 | C22 | C23 | H33 | 140.9° | 145.0° |
| H14 | C22 | C23 | H34 | 0.1° | 0.0° |
| H15 | C22 | C23 | H33 | 0.0° | 0.1° |
| H15 | C22 | C23 | H34 | 140.9° | 144.9° |
| H16 | C26 | C25 | H35 | 0.1° | 0.4° |
| H16 | C26 | C27 | H36 | 0.2° | 0.4° |
| H17 | C28 | C27 | H36 | 0.0° | 0.3° |
| H17 | C28 | C29 | H37 | 0.6° | 0.1° |
| H18 | C1 | C2 | H19 | 1.5° | 0.1° |
| H22 | C11 | C12 | H23 | 168.3° | 178.8° |
| H23 | C12 | O1 | H28 | 62.7° | 59.9° |
| H25 | C16 | N4 | H27 | 66.7° | 43.9° |
| H26 | C16 | N4 | H27 | 54.9° | 78.0° |
| H29 | N5 | C19 | H30 | 0.0° | 120.1° |
| H29 | N5 | C19 | H31 | 120.0° | 120.0° |
| H29 | N5 | C19 | H32 | 120.0° | 0.1° |
| H30 | C19 | H31 | H32 | 120.0° | 120.1° |
