A1JTT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.50Å | 1.52Å | |
| C3 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | doub | 1.23Å | 1.23Å | |
| C6 | N1 | sing | 1.34Å | 1.34Å | |
| N1 | C12 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.51Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C18 | sing | 1.34Å | 1.33Å | |
| C15 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C19 | sing | 1.50Å | 1.49Å | |
| C19 | O3 | doub | 1.21Å | 1.21Å | |
| C19 | N3 | sing | 1.37Å | 1.33Å | |
| C11 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| N3 | C23 | sing | 1.48Å | 1.46Å | |
| C13 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C24 | sing | 1.35Å | 1.35Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | O5 | doub | 1.21Å | 1.26Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | H12 | sing | 0.99Å | 1.00Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C30 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.0° | 120.0° |
| C1 | C2 | C4 | 120.9° | 119.5° |
| C2 | C1 | C10 | 120.8° | 120.0° |
| C2 | C1 | H1 | 119.6° | 119.9° |
| C3 | C2 | C4 | 121.1° | 120.5° |
| C2 | C3 | C7 | 122.3° | 119.9° |
| C2 | C3 | H2 | 118.9° | 120.2° |
| C2 | C4 | C5 | 116.1° | 109.9° |
| C2 | C4 | H3 | 107.8° | 109.3° |
| C2 | C4 | H4 | 107.8° | 109.7° |
| C4 | C5 | C6 | 113.1° | 109.7° |
| C4 | C5 | N4 | 112.9° | 109.0° |
| C5 | C4 | H3 | 107.8° | 108.9° |
| C5 | C4 | H4 | 107.8° | 109.7° |
| C4 | C5 | H5 | 106.9° | 108.3° |
| C5 | C6 | O1 | 122.7° | 118.1° |
| C5 | C6 | N1 | 114.3° | 124.4° |
| C6 | C5 | N4 | 108.5° | 109.8° |
| C6 | C5 | H5 | 107.1° | 110.6° |
| C3 | C7 | C8 | 120.8° | 120.2° |
| C3 | C7 | C9 | 118.0° | 120.1° |
| C7 | C3 | H2 | 118.9° | 119.9° |
| C8 | C7 | C9 | 121.2° | 119.7° |
| C7 | C8 | C11 | 115.0° | 109.4° |
| C7 | C8 | H6 | 108.1° | 109.4° |
| C7 | C8 | H7 | 108.1° | 109.4° |
| C7 | C9 | C10 | 120.9° | 119.9° |
| C7 | C9 | H8 | 119.5° | 119.9° |
| C1 | C10 | C9 | 120.0° | 120.1° |
| C1 | C10 | H9 | 120.0° | 120.0° |
| C10 | C1 | H1 | 119.6° | 120.1° |
| C9 | C10 | H9 | 120.0° | 119.9° |
| C10 | C9 | H8 | 119.6° | 120.2° |
| C8 | C11 | C20 | 118.6° | 109.4° |
| C11 | C8 | H6 | 108.1° | 109.5° |
| C11 | C8 | H7 | 108.1° | 109.5° |
| C8 | C11 | H10 | 107.1° | 109.6° |
| C8 | C11 | H25 | 107.1° | 109.5° |
| O1 | C6 | N1 | 123.1° | 117.4° |
| C6 | N1 | C12 | 121.1° | 125.3° |
| C6 | N1 | H12 | 119.4° | 117.1° |
| N1 | C12 | C13 | 105.2° | 108.8° |
| N1 | C12 | C14 | 113.0° | 111.4° |
| C12 | N1 | H12 | 119.4° | 117.6° |
| N1 | C12 | H13 | 108.6° | 109.8° |
| C13 | C12 | C14 | 114.6° | 108.9° |
| C12 | C13 | C19 | 110.9° | 110.0° |
| C12 | C13 | O4 | 111.5° | 109.3° |
| C12 | C13 | H14 | 108.7° | 109.4° |
| C13 | C12 | H13 | 107.6° | 108.5° |
| C12 | C14 | C15 | 112.9° | 109.5° |
| C14 | C12 | H13 | 107.6° | 109.4° |
| C12 | C14 | H15 | 108.6° | 109.5° |
| C12 | C14 | H16 | 108.6° | 109.5° |
| C14 | C15 | C16 | 115.5° | 110.5° |
| C14 | C15 | C18 | 113.8° | 110.4° |
| C14 | C15 | H17 | 107.3° | 110.5° |
| C15 | C14 | H15 | 108.6° | 109.4° |
| C15 | C14 | H16 | 108.6° | 109.5° |
| C15 | C16 | C17 | 105.2° | 101.8° |
| C16 | C15 | C18 | 105.0° | 104.2° |
| C16 | C15 | H17 | 107.3° | 110.5° |
| C15 | C16 | H18 | 110.5° | 111.0° |
| C15 | C16 | H19 | 110.5° | 110.9° |
| C16 | C17 | N2 | 104.7° | 105.5° |
| C16 | C17 | H20 | 110.6° | 110.3° |
| C16 | C17 | H21 | 110.7° | 110.3° |
| C17 | C16 | H18 | 110.5° | 111.0° |
| C17 | C16 | H19 | 110.5° | 111.0° |
| C17 | N2 | C18 | 114.7° | 111.3° |
| N2 | C17 | H20 | 110.7° | 110.3° |
| N2 | C17 | H21 | 110.7° | 110.3° |
| C17 | N2 | H22 | 122.6° | 124.3° |
| N2 | C18 | C15 | 108.0° | 110.1° |
| N2 | C18 | O2 | 125.9° | 124.9° |
| C18 | N2 | H22 | 122.6° | 124.4° |
| C15 | C18 | O2 | 126.0° | 125.0° |
| C18 | C15 | H17 | 107.4° | 110.5° |
| C13 | C19 | O3 | 118.8° | 120.7° |
| C13 | C19 | N3 | 115.0° | 118.9° |
| C19 | C13 | O4 | 106.3° | 109.3° |
| C19 | C13 | H14 | 109.2° | 109.7° |
| O3 | C19 | N3 | 126.1° | 120.4° |
| C19 | N3 | C23 | 123.5° | 114.7° |
| C19 | N3 | H23 | 118.2° | 122.8° |
| C11 | C20 | C21 | 116.5° | 109.5° |
| C11 | C20 | H24 | 107.7° | 109.7° |
| C20 | C11 | H10 | 107.1° | 109.4° |
| C11 | C20 | H11 | 107.7° | 109.4° |
| C20 | C11 | H25 | 107.1° | 109.7° |
| C20 | C21 | C22 | 116.7° | 109.4° |
| C21 | C20 | H24 | 107.7° | 109.5° |
| C20 | C21 | H26 | 107.6° | 109.3° |
| C20 | C21 | H27 | 107.6° | 109.4° |
| C21 | C20 | H11 | 107.7° | 109.2° |
| C21 | C22 | C23 | 111.9° | 109.7° |
| C22 | C21 | H26 | 107.7° | 109.9° |
| C22 | C21 | H27 | 107.6° | 109.7° |
| C21 | C22 | H28 | 108.8° | 109.3° |
| C21 | C22 | H29 | 108.9° | 109.3° |
| C22 | C23 | N3 | 113.2° | 108.6° |
| C23 | C22 | H28 | 108.9° | 109.6° |
| C23 | C22 | H29 | 108.8° | 109.5° |
| C22 | C23 | H30 | 108.5° | 109.5° |
| C22 | C23 | H31 | 108.5° | 109.5° |
| C23 | N3 | H23 | 118.3° | 122.5° |
| N3 | C23 | H30 | 108.5° | 109.8° |
| N3 | C23 | H31 | 108.5° | 109.8° |
| O4 | C13 | H14 | 110.3° | 109.2° |
| C13 | O4 | H32 | 109.5° | 114.0° |
| C5 | N4 | C24 | 120.1° | 120.0° |
| N4 | C5 | H5 | 107.9° | 109.4° |
| C5 | N4 | H33 | 120.0° | 120.0° |
| N4 | C24 | C25 | 115.9° | 120.0° |
| N4 | C24 | O5 | 121.3° | 120.0° |
| C24 | N4 | H33 | 120.0° | 120.0° |
| C25 | C24 | O5 | 122.8° | 120.0° |
| C24 | C25 | C26 | 115.3° | 109.5° |
| C24 | C25 | H34 | 108.0° | 109.4° |
| C24 | C25 | H35 | 108.0° | 109.5° |
| C25 | C26 | C27 | 121.0° | 120.0° |
| C25 | C26 | C31 | 120.8° | 120.0° |
| C26 | C25 | H34 | 108.0° | 109.5° |
| C26 | C25 | H35 | 108.0° | 109.4° |
| C26 | C27 | C28 | 120.8° | 120.0° |
| C27 | C26 | C31 | 118.3° | 120.0° |
| C26 | C27 | H36 | 119.6° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H37 | 119.9° | 120.0° |
| C28 | C27 | H36 | 119.6° | 120.0° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C29 | C28 | H37 | 120.0° | 120.0° |
| C28 | C29 | H38 | 120.0° | 120.0° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H38 | 120.0° | 120.0° |
| C29 | C30 | H39 | 120.1° | 120.0° |
| C30 | C31 | C26 | 120.9° | 120.0° |
| C31 | C30 | H39 | 120.0° | 120.0° |
| C30 | C31 | H40 | 119.5° | 120.0° |
| C26 | C31 | H40 | 119.6° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.7° |
| H20 | C17 | H21 | 109.5° | 110.2° |
| H24 | C20 | H11 | 109.5° | 109.4° |
| H26 | C21 | H27 | 109.4° | 109.2° |
| H28 | C22 | H29 | 109.5° | 109.4° |
| H10 | C11 | H25 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 110.9° |
| H30 | C23 | H31 | 109.4° | 109.6° |
| H34 | C25 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 179.9° | 179.8° |
| C1 | C2 | C4 | C5 | 61.0° | 127.9° |
| C1 | C2 | C3 | C7 | 0.3° | 0.1° |
| C2 | C1 | C10 | H1 | 180.0° | 179.9° |
| C2 | C1 | C10 | C9 | 0.5° | 0.1° |
| C1 | C2 | C4 | H3 | 59.9° | 8.5° |
| C1 | C2 | C4 | H4 | 178.0° | 111.4° |
| C2 | C1 | C10 | H9 | 179.5° | 180.0° |
| C1 | C2 | C3 | H2 | 179.7° | 179.9° |
| C3 | C2 | C4 | C5 | 119.0° | 52.3° |
| C2 | C3 | C7 | H2 | 180.0° | 179.8° |
| C2 | C3 | C7 | C8 | 179.3° | 179.8° |
| C2 | C3 | C7 | C9 | 0.5° | 0.2° |
| C3 | C2 | C1 | C10 | 0.2° | 0.1° |
| C3 | C2 | C4 | H3 | 120.0° | 171.8° |
| C3 | C2 | C4 | H4 | 2.0° | 68.4° |
| C3 | C2 | C1 | H1 | 179.8° | 179.8° |
| C2 | C4 | C5 | H3 | 120.9° | 119.7° |
| C2 | C4 | C5 | H4 | 121.0° | 120.6° |
| C2 | C4 | C5 | C6 | 46.1° | 103.1° |
| C4 | C2 | C3 | C7 | 179.6° | 179.7° |
| C4 | C2 | C1 | C10 | 179.8° | 179.8° |
| C2 | C4 | C5 | N4 | 77.6° | 136.6° |
| C2 | C4 | H3 | H4 | 117.0° | 120.1° |
| C2 | C4 | C5 | H5 | 163.8° | 17.7° |
| C4 | C2 | C1 | H1 | 0.2° | 0.0° |
| C4 | C2 | C3 | H2 | 0.4° | 0.2° |
| C4 | C5 | C6 | N4 | 126.2° | 119.8° |
| C4 | C5 | C6 | H5 | 117.6° | 119.4° |
| C4 | C5 | C6 | O1 | 85.3° | 21.6° |
| C4 | C5 | C6 | N1 | 94.7° | 159.3° |
| C4 | C5 | N4 | H5 | 118.0° | 118.2° |
| C4 | C5 | N4 | C24 | 174.6° | 80.0° |
| C5 | C4 | H3 | H4 | 117.0° | 119.9° |
| C4 | C5 | N4 | H33 | 5.5° | 100.0° |
| C5 | C6 | O1 | N1 | 180.0° | 179.1° |
| C5 | C6 | N1 | C12 | 171.5° | 17.1° |
| C6 | C5 | N4 | H5 | 115.8° | 121.6° |
| C6 | C5 | N4 | C24 | 59.2° | 159.8° |
| C5 | C6 | N1 | H12 | 8.6° | 162.6° |
| C6 | C5 | C4 | H3 | 167.1° | 137.2° |
| C6 | C5 | C4 | H4 | 74.8° | 17.5° |
| C6 | C5 | N4 | H33 | 120.8° | 20.2° |
| C3 | C7 | C8 | C9 | 179.8° | 179.9° |
| C3 | C7 | C9 | C10 | 0.2° | 0.2° |
| C3 | C7 | C8 | C11 | 150.2° | 69.5° |
| C3 | C7 | C8 | H6 | 29.4° | 170.6° |
| C3 | C7 | C8 | H7 | 89.0° | 50.4° |
| C3 | C7 | C9 | H8 | 179.8° | 179.6° |
| C8 | C7 | C9 | C10 | 179.6° | 179.8° |
| C7 | C8 | C11 | H6 | 120.8° | 119.8° |
| C7 | C8 | C11 | H7 | 120.8° | 119.8° |
| C7 | C8 | C11 | C20 | 90.5° | 120.5° |
| C7 | C8 | H6 | H7 | 117.5° | 119.9° |
| C8 | C7 | C3 | H2 | 0.7° | 0.0° |
| C8 | C7 | C9 | H8 | 0.4° | 0.3° |
| C7 | C8 | C11 | H10 | 148.2° | 0.7° |
| C7 | C8 | C11 | H25 | 30.8° | 119.3° |
| C7 | C9 | C10 | C1 | 0.3° | 0.1° |
| C7 | C9 | C10 | H8 | 180.0° | 179.9° |
| C9 | C7 | C8 | C11 | 30.0° | 110.4° |
| C9 | C7 | C8 | H6 | 150.8° | 9.5° |
| C9 | C7 | C8 | H7 | 90.8° | 129.6° |
| C7 | C9 | C10 | H9 | 179.7° | 179.8° |
| C9 | C7 | C3 | H2 | 179.5° | 179.9° |
| C1 | C10 | C9 | H9 | 180.0° | 179.9° |
| C1 | C10 | C9 | H8 | 179.7° | 179.8° |
| C9 | C10 | C1 | H1 | 179.5° | 179.8° |
| C8 | C11 | C20 | H10 | 121.3° | 120.0° |
| C8 | C11 | C20 | H25 | 121.3° | 120.1° |
| C8 | C11 | C20 | C21 | 3.5° | 172.3° |
| C11 | C8 | H6 | H7 | 117.5° | 120.2° |
| C8 | C11 | C20 | H24 | 124.5° | 67.5° |
| C8 | C11 | H10 | H25 | 115.8° | 120.0° |
| C8 | C11 | C20 | H11 | 117.5° | 52.6° |
| O1 | C6 | N1 | C12 | 8.5° | 162.0° |
| O1 | C6 | C5 | N4 | 40.9° | 98.2° |
| O1 | C6 | N1 | H12 | 171.5° | 18.3° |
| O1 | C6 | C5 | H5 | 157.2° | 141.0° |
| C6 | N1 | C12 | H12 | 180.0° | 179.7° |
| C6 | N1 | C12 | C13 | 120.7° | 168.4° |
| C6 | N1 | C12 | C14 | 113.6° | 71.5° |
| N1 | C6 | C5 | N4 | 139.2° | 80.9° |
| N1 | C6 | C5 | H5 | 22.9° | 39.9° |
| C6 | N1 | C12 | H13 | 5.7° | 49.8° |
| N1 | C12 | C13 | C14 | 124.8° | 121.6° |
| N1 | C12 | C13 | H13 | 115.6° | 119.4° |
| N1 | C12 | C14 | H13 | 119.9° | 121.6° |
| N1 | C12 | C14 | C15 | 58.9° | 173.4° |
| N1 | C12 | C13 | C19 | 155.8° | 102.2° |
| N1 | C12 | C13 | O4 | 37.5° | 137.8° |
| N1 | C12 | C13 | H14 | 84.2° | 18.3° |
| N1 | C12 | C14 | H15 | 61.6° | 66.6° |
| N1 | C12 | C14 | H16 | 179.4° | 53.4° |
| C13 | C12 | C14 | H13 | 119.6° | 118.4° |
| C13 | C12 | C14 | C15 | 179.4° | 66.5° |
| C12 | C13 | C19 | O4 | 121.3° | 120.0° |
| C12 | C13 | C19 | H14 | 119.7° | 120.3° |
| C12 | C13 | C19 | O3 | 66.2° | 109.4° |
| C12 | C13 | C19 | N3 | 109.6° | 71.3° |
| C12 | C13 | O4 | H14 | 120.8° | 119.6° |
| C13 | C12 | N1 | H12 | 59.3° | 11.9° |
| C13 | C12 | C14 | H15 | 58.9° | 53.4° |
| C13 | C12 | C14 | H16 | 60.1° | 173.5° |
| C12 | C13 | O4 | H32 | 180.0° | 179.6° |
| C12 | C14 | C15 | H15 | 120.5° | 120.0° |
| C12 | C14 | C15 | H16 | 120.5° | 120.0° |
| C12 | C14 | C15 | C16 | 66.9° | 173.7° |
| C12 | C14 | C15 | C18 | 171.4° | 71.6° |
| C14 | C12 | C13 | C19 | 79.5° | 19.4° |
| C14 | C12 | C13 | O4 | 162.3° | 100.6° |
| C14 | C12 | N1 | H12 | 66.4° | 108.2° |
| C14 | C12 | C13 | H14 | 40.5° | 139.9° |
| C12 | C14 | C15 | H17 | 52.7° | 51.0° |
| C12 | C14 | H15 | H16 | 118.4° | 120.1° |
| C14 | C15 | C16 | C18 | 126.3° | 118.6° |
| C14 | C15 | C16 | H17 | 119.6° | 122.7° |
| C14 | C15 | C16 | C17 | 141.5° | 143.4° |
| C14 | C15 | C18 | N2 | 138.4° | 134.9° |
| C14 | C15 | C18 | H17 | 118.6° | 122.6° |
| C14 | C15 | C18 | O2 | 45.8° | 45.1° |
| C15 | C14 | C12 | H13 | 61.0° | 51.8° |
| C15 | C14 | H15 | H16 | 118.4° | 120.0° |
| C14 | C15 | C16 | H18 | 22.1° | 25.3° |
| C14 | C15 | C16 | H19 | 99.2° | 98.4° |
| C15 | C16 | C17 | H18 | 119.3° | 118.1° |
| C15 | C16 | C17 | H19 | 119.3° | 118.1° |
| C15 | C16 | C17 | N2 | 13.9° | 25.4° |
| C16 | C15 | C18 | N2 | 11.1° | 16.3° |
| C16 | C15 | C18 | H17 | 114.0° | 118.7° |
| C16 | C15 | C18 | O2 | 173.1° | 163.8° |
| C15 | C16 | C17 | H20 | 133.2° | 144.4° |
| C15 | C16 | C17 | H21 | 105.4° | 93.6° |
| C16 | C15 | C14 | H15 | 172.6° | 53.6° |
| C16 | C15 | C14 | H16 | 53.6° | 66.4° |
| C15 | C16 | H18 | H19 | 121.9° | 123.7° |
| C16 | C17 | N2 | H20 | 119.2° | 119.0° |
| C16 | C17 | N2 | H21 | 119.3° | 119.1° |
| C16 | C17 | N2 | C18 | 7.7° | 17.0° |
| C17 | C16 | C15 | C18 | 15.2° | 24.8° |
| C17 | C16 | C15 | H17 | 98.9° | 93.9° |
| C16 | C17 | H20 | H21 | 122.2° | 122.0° |
| C17 | C16 | H18 | H19 | 122.0° | 123.8° |
| C16 | C17 | N2 | H22 | 172.3° | 163.0° |
| C17 | N2 | C18 | H22 | 180.0° | 180.0° |
| C17 | N2 | C18 | C15 | 2.2° | 0.4° |
| C17 | N2 | C18 | O2 | 178.1° | 179.6° |
| N2 | C17 | H20 | H21 | 122.2° | 122.0° |
| N2 | C17 | C16 | H18 | 105.4° | 92.7° |
| N2 | C17 | C16 | H19 | 133.2° | 143.5° |
| N2 | C18 | C15 | O2 | 175.9° | 179.9° |
| N2 | C18 | C15 | H17 | 103.0° | 102.4° |
| C18 | N2 | C17 | H20 | 126.9° | 136.0° |
| C18 | N2 | C17 | H21 | 111.6° | 102.1° |
| C18 | C15 | C14 | H15 | 50.9° | 168.4° |
| C18 | C15 | C14 | H16 | 68.1° | 48.4° |
| C18 | C15 | C16 | H18 | 104.2° | 93.3° |
| C18 | C15 | C16 | H19 | 134.5° | 143.0° |
| C15 | C18 | N2 | H22 | 177.8° | 179.6° |
| O2 | C18 | C15 | H17 | 72.9° | 77.5° |
| O2 | C18 | N2 | H22 | 2.0° | 0.5° |
| C13 | C19 | O3 | N3 | 175.3° | 179.3° |
| C13 | C19 | N3 | C23 | 177.6° | 174.8° |
| C19 | C13 | O4 | H14 | 118.2° | 120.0° |
| C13 | C19 | N3 | H23 | 2.4° | 5.1° |
| C19 | C13 | C12 | H13 | 40.1° | 138.3° |
| C19 | C13 | O4 | H32 | 59.0° | 60.0° |
| O3 | C19 | N3 | C23 | 2.2° | 5.9° |
| O3 | C19 | C13 | O4 | 172.4° | 10.6° |
| O3 | C19 | N3 | H23 | 177.8° | 174.2° |
| O3 | C19 | C13 | H14 | 53.5° | 130.3° |
| C19 | N3 | C23 | C22 | 166.8° | 159.3° |
| C19 | N3 | C23 | H23 | 180.0° | 179.9° |
| N3 | C19 | C13 | O4 | 11.8° | 168.7° |
| N3 | C19 | C13 | H14 | 130.7° | 49.0° |
| C19 | N3 | C23 | H30 | 72.6° | 81.0° |
| C19 | N3 | C23 | H31 | 46.2° | 39.6° |
| C11 | C20 | C21 | H24 | 121.0° | 120.3° |
| C11 | C20 | C21 | H11 | 121.0° | 119.8° |
| C11 | C20 | C21 | C22 | 145.1° | 173.1° |
| C20 | C11 | C8 | H6 | 30.3° | 119.6° |
| C20 | C11 | C8 | H7 | 148.7° | 0.7° |
| C11 | C20 | H24 | H11 | 116.8° | 120.1° |
| C11 | C20 | C21 | H26 | 93.8° | 52.8° |
| C11 | C20 | C21 | H27 | 24.0° | 66.7° |
| C20 | C11 | H10 | H25 | 115.9° | 120.1° |
| C20 | C21 | C22 | H26 | 121.0° | 119.9° |
| C20 | C21 | C22 | H27 | 121.1° | 120.0° |
| C20 | C21 | C22 | C23 | 163.9° | 122.8° |
| C21 | C20 | H24 | H11 | 116.8° | 119.7° |
| C20 | C21 | H26 | H27 | 116.7° | 119.7° |
| C20 | C21 | C22 | H28 | 75.8° | 116.9° |
| C20 | C21 | C22 | H29 | 43.5° | 2.9° |
| C21 | C20 | C11 | H10 | 117.8° | 67.7° |
| C21 | C20 | C11 | H25 | 124.8° | 52.2° |
| C21 | C22 | C23 | H28 | 120.4° | 120.1° |
| C21 | C22 | C23 | H29 | 120.4° | 119.9° |
| C21 | C22 | C23 | N3 | 20.1° | 87.4° |
| C22 | C21 | C20 | H24 | 24.1° | 52.8° |
| C22 | C21 | H26 | H27 | 116.7° | 120.3° |
| C21 | C22 | H28 | H29 | 118.9° | 119.7° |
| C21 | C22 | C23 | H30 | 140.6° | 152.7° |
| C21 | C22 | C23 | H31 | 100.5° | 32.5° |
| C22 | C21 | C20 | H11 | 93.9° | 67.0° |
| C22 | C23 | N3 | H30 | 120.6° | 119.7° |
| C22 | C23 | N3 | H31 | 120.6° | 119.7° |
| C22 | C23 | N3 | H23 | 13.2° | 20.6° |
| C23 | C22 | C21 | H26 | 42.8° | 2.9° |
| C23 | C22 | C21 | H27 | 75.1° | 117.2° |
| C23 | C22 | H28 | H29 | 118.9° | 120.1° |
| C22 | C23 | H30 | H31 | 118.3° | 120.1° |
| N3 | C23 | C22 | H28 | 100.3° | 152.5° |
| N3 | C23 | C22 | H29 | 140.5° | 32.4° |
| N3 | C23 | H30 | H31 | 118.3° | 120.7° |
| O4 | C13 | C12 | H13 | 78.2° | 18.3° |
| C5 | N4 | C24 | H33 | 180.0° | 180.0° |
| C5 | N4 | C24 | C25 | 178.5° | 174.9° |
| C5 | N4 | C24 | O5 | 0.1° | 5.1° |
| N4 | C5 | C4 | H3 | 43.3° | 16.9° |
| N4 | C5 | C4 | H4 | 161.4° | 102.7° |
| N4 | C24 | C25 | O5 | 178.7° | 179.9° |
| N4 | C24 | C25 | C26 | 148.2° | 180.0° |
| C24 | N4 | C5 | H5 | 56.6° | 38.2° |
| N4 | C24 | C25 | H34 | 27.3° | 60.0° |
| N4 | C24 | C25 | H35 | 91.0° | 60.0° |
| C24 | C25 | C26 | H34 | 120.9° | 120.0° |
| C24 | C25 | C26 | H35 | 120.9° | 120.0° |
| C24 | C25 | C26 | C27 | 48.7° | 90.0° |
| C24 | C25 | C26 | C31 | 131.9° | 90.3° |
| C25 | C24 | N4 | H33 | 1.5° | 5.1° |
| C24 | C25 | H34 | H35 | 117.4° | 120.0° |
| O5 | C24 | C25 | C26 | 30.5° | 0.0° |
| O5 | C24 | N4 | H33 | 179.9° | 174.9° |
| O5 | C24 | C25 | H34 | 151.3° | 120.0° |
| O5 | C24 | C25 | H35 | 90.4° | 120.0° |
| C25 | C26 | C27 | C31 | 179.5° | 179.8° |
| C25 | C26 | C27 | C28 | 179.3° | 179.7° |
| C25 | C26 | C31 | C30 | 179.8° | 179.7° |
| C26 | C25 | H34 | H35 | 117.4° | 120.0° |
| C25 | C26 | C27 | H36 | 0.7° | 0.3° |
| C25 | C26 | C31 | H40 | 0.2° | 0.2° |
| C26 | C27 | C28 | H36 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.0° | 0.0° |
| C27 | C26 | C31 | C30 | 0.7° | 0.0° |
| C26 | C27 | C28 | H37 | 179.0° | 180.0° |
| C27 | C26 | C25 | H34 | 72.2° | 30.0° |
| C27 | C26 | C25 | H35 | 169.5° | 150.0° |
| C27 | C26 | C31 | H40 | 179.3° | 180.0° |
| C27 | C28 | C29 | H37 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C28 | C27 | C26 | C31 | 1.2° | 0.0° |
| C27 | C28 | C29 | H38 | 179.8° | 179.9° |
| C28 | C29 | C30 | H38 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C29 | C28 | C27 | H36 | 179.0° | 180.0° |
| C28 | C29 | C30 | H39 | 179.7° | 180.0° |
| C29 | C30 | C31 | H39 | 180.0° | 179.9° |
| C29 | C30 | C31 | C26 | 0.0° | 0.0° |
| C30 | C29 | C28 | H37 | 179.8° | 180.0° |
| C29 | C30 | C31 | H40 | 180.0° | 179.9° |
| C30 | C31 | C26 | H40 | 180.0° | 179.9° |
| C31 | C30 | C29 | H38 | 179.7° | 179.9° |
| C31 | C26 | C25 | H34 | 107.2° | 149.8° |
| C31 | C26 | C25 | H35 | 11.0° | 29.7° |
| C31 | C26 | C27 | H36 | 178.7° | 179.9° |
| C26 | C31 | C30 | H39 | 180.0° | 179.9° |
| H12 | N1 | C12 | H13 | 174.3° | 130.5° |
| H23 | N3 | C23 | H30 | 107.4° | 99.1° |
| H23 | N3 | C23 | H31 | 133.8° | 140.4° |
| H3 | C4 | C5 | H5 | 75.3° | 101.9° |
| H4 | C4 | C5 | H5 | 42.8° | 138.4° |
| H5 | C5 | N4 | H33 | 123.4° | 141.8° |
| H6 | C8 | C11 | H10 | 91.0° | 120.5° |
| H6 | C8 | C11 | H25 | 151.6° | 0.6° |
| H7 | C8 | C11 | H10 | 27.4° | 119.2° |
| H7 | C8 | C11 | H25 | 90.0° | 120.9° |
| H9 | C10 | C1 | H1 | 0.5° | 0.1° |
| H9 | C10 | C9 | H8 | 0.3° | 0.3° |
| H14 | C13 | C12 | H13 | 160.1° | 101.2° |
| H14 | C13 | O4 | H32 | 59.2° | 60.0° |
| H17 | C15 | C14 | H15 | 67.8° | 69.0° |
| H17 | C15 | C14 | H16 | 173.2° | 171.0° |
| H17 | C15 | C16 | H18 | 141.8° | 148.0° |
| H17 | C15 | C16 | H19 | 20.4° | 24.2° |
| H20 | C17 | C16 | H18 | 13.8° | 26.3° |
| H20 | C17 | C16 | H19 | 107.5° | 97.5° |
| H20 | C17 | N2 | H22 | 53.1° | 44.0° |
| H21 | C17 | C16 | H18 | 135.3° | 148.2° |
| H21 | C17 | C16 | H19 | 14.0° | 24.5° |
| H21 | C17 | N2 | H22 | 68.5° | 78.0° |
| H24 | C20 | C21 | H26 | 145.1° | 67.5° |
| H24 | C20 | C21 | H27 | 97.0° | 172.9° |
| H24 | C20 | C11 | H10 | 3.2° | 52.5° |
| H24 | C20 | C11 | H25 | 114.2° | 172.4° |
| H26 | C21 | C22 | H28 | 163.2° | 123.2° |
| H26 | C21 | C22 | H29 | 77.5° | 117.1° |
| H26 | C21 | C20 | H11 | 27.2° | 172.7° |
| H27 | C21 | C22 | H28 | 45.3° | 3.1° |
| H27 | C21 | C22 | H29 | 164.6° | 122.9° |
| H27 | C21 | C20 | H11 | 145.0° | 53.1° |
| H28 | C22 | C23 | H30 | 20.3° | 32.6° |
| H28 | C22 | C23 | H31 | 139.2° | 87.6° |
| H29 | C22 | C23 | H30 | 99.0° | 87.5° |
| H29 | C22 | C23 | H31 | 19.9° | 152.4° |
| H37 | C28 | C27 | H36 | 1.0° | 0.1° |
| H37 | C28 | C29 | H38 | 0.2° | 0.1° |
| H10 | C11 | C20 | H11 | 121.2° | 172.6° |
| H13 | C12 | C14 | H15 | 178.5° | 171.8° |
| H13 | C12 | C14 | H16 | 59.5° | 68.1° |
| H38 | C29 | C30 | H39 | 0.3° | 0.1° |
| H39 | C30 | C31 | H40 | 0.0° | 0.0° |
| H11 | C20 | C11 | H25 | 3.8° | 67.5° |
