A1JT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | O1 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.36Å | 1.34Å | |
| N1 | C10 | sing | 1.48Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N2 | sing | 1.36Å | 1.33Å | |
| C2 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.31Å | 1.33Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N2 | C18 | sing | 1.48Å | 1.47Å | |
| C11 | O2 | sing | 1.43Å | 1.42Å | |
| C12 | O3 | doub | 1.21Å | 1.21Å | |
| C10 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C22 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C23 | sing | 1.34Å | 1.33Å | |
| C20 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | O4 | doub | 1.21Å | 1.24Å | |
| C8 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C24 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | O5 | doub | 1.21Å | 1.23Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | 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 | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.0° | 120.0° |
| C2 | C1 | C6 | 122.1° | 120.1° |
| C1 | C2 | C13 | 120.7° | 120.1° |
| C2 | C1 | H1 | 118.9° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | C13 | 121.3° | 119.9° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.8° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | C1 | 118.7° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C6 | C5 | H4 | 119.9° | 120.2° |
| C1 | C6 | C7 | 120.5° | 120.0° |
| C6 | C1 | H1 | 118.9° | 119.8° |
| C6 | C7 | C8 | 114.1° | 109.4° |
| C6 | C7 | H5 | 108.3° | 109.5° |
| C6 | C7 | H6 | 108.3° | 109.5° |
| C7 | C8 | C9 | 109.7° | 109.5° |
| C7 | C8 | N4 | 104.8° | 109.5° |
| C8 | C7 | H5 | 108.3° | 109.5° |
| C8 | C7 | H6 | 108.3° | 109.5° |
| C7 | C8 | H7 | 108.3° | 109.4° |
| C8 | C9 | O1 | 118.5° | 120.5° |
| C8 | C9 | N1 | 119.6° | 119.0° |
| C9 | C8 | N4 | 115.7° | 109.5° |
| C9 | C8 | H7 | 108.5° | 109.5° |
| O1 | C9 | N1 | 121.8° | 120.5° |
| C9 | N1 | C10 | 120.7° | 116.2° |
| C9 | N1 | H8 | 119.7° | 121.9° |
| N1 | C10 | C11 | 107.8° | 108.9° |
| N1 | C10 | C19 | 110.8° | 109.6° |
| C10 | N1 | H8 | 119.7° | 121.9° |
| N1 | C10 | H9 | 108.5° | 109.6° |
| C10 | C11 | C12 | 112.7° | 109.5° |
| C10 | C11 | O2 | 109.9° | 109.5° |
| C11 | C10 | C19 | 114.1° | 109.6° |
| C11 | C10 | H9 | 107.6° | 109.6° |
| C10 | C11 | H10 | 108.9° | 109.4° |
| C11 | C12 | N2 | 115.7° | 118.9° |
| C12 | C11 | O2 | 105.6° | 109.5° |
| C11 | C12 | O3 | 120.7° | 120.5° |
| C12 | C11 | H10 | 109.2° | 109.5° |
| C12 | N2 | C18 | 122.7° | 116.2° |
| N2 | C12 | O3 | 123.6° | 120.6° |
| C12 | N2 | H11 | 118.7° | 121.9° |
| C2 | C13 | C14 | 115.8° | 109.5° |
| C2 | C13 | H12 | 107.9° | 109.4° |
| C2 | C13 | H13 | 107.9° | 109.5° |
| C13 | C14 | C15 | 125.5° | 120.0° |
| C14 | C13 | H12 | 107.9° | 109.4° |
| C14 | C13 | H13 | 107.9° | 109.5° |
| C13 | C14 | H14 | 117.3° | 120.0° |
| C14 | C15 | C16 | 127.0° | 120.1° |
| C14 | C15 | H15 | 116.5° | 120.0° |
| C15 | C14 | H14 | 117.2° | 119.9° |
| C15 | C16 | C17 | 114.4° | 109.4° |
| C16 | C15 | H15 | 116.5° | 119.9° |
| C15 | C16 | H16 | 108.2° | 109.4° |
| C15 | C16 | H17 | 108.2° | 109.5° |
| C16 | C17 | C18 | 113.6° | 109.5° |
| C16 | C17 | H18 | 108.4° | 109.4° |
| C16 | C17 | H19 | 108.4° | 109.4° |
| C17 | C16 | H16 | 108.2° | 109.5° |
| C17 | C16 | H17 | 108.2° | 109.5° |
| C17 | C18 | N2 | 114.1° | 108.8° |
| C18 | C17 | H18 | 108.4° | 109.5° |
| C18 | C17 | H19 | 108.4° | 109.5° |
| C17 | C18 | H20 | 108.3° | 109.6° |
| C17 | C18 | H21 | 108.3° | 109.6° |
| C18 | N2 | H11 | 118.6° | 121.9° |
| N2 | C18 | H20 | 108.3° | 109.6° |
| N2 | C18 | H21 | 108.3° | 109.6° |
| O2 | C11 | H10 | 110.6° | 109.5° |
| C11 | O2 | H22 | 109.5° | 114.0° |
| C10 | C19 | C20 | 115.5° | 109.5° |
| C19 | C10 | H9 | 107.8° | 109.7° |
| C10 | C19 | H23 | 108.0° | 109.4° |
| C10 | C19 | H24 | 107.9° | 109.5° |
| C19 | C20 | C21 | 118.3° | 110.5° |
| C19 | C20 | C23 | 111.2° | 110.2° |
| C19 | C20 | H25 | 107.4° | 110.5° |
| C20 | C19 | H23 | 107.9° | 109.4° |
| C20 | C19 | H24 | 107.9° | 109.5° |
| C20 | C21 | C22 | 105.3° | 101.7° |
| C21 | C20 | C23 | 104.5° | 104.1° |
| C21 | C20 | H25 | 107.4° | 110.5° |
| C20 | C21 | H26 | 110.5° | 111.0° |
| C20 | C21 | H27 | 110.5° | 111.0° |
| C21 | C22 | N3 | 103.7° | 105.4° |
| C22 | C21 | H26 | 110.5° | 111.3° |
| C22 | C21 | H27 | 110.5° | 110.7° |
| C21 | C22 | H28 | 110.9° | 110.2° |
| C21 | C22 | H29 | 110.9° | 110.3° |
| C22 | N3 | C23 | 114.8° | 111.4° |
| C22 | N3 | H30 | 122.6° | 124.3° |
| N3 | C22 | H28 | 110.9° | 110.3° |
| N3 | C22 | H29 | 110.9° | 110.3° |
| N3 | C23 | C20 | 108.8° | 110.1° |
| N3 | C23 | O4 | 126.0° | 125.0° |
| C23 | N3 | H30 | 122.6° | 124.3° |
| C20 | C23 | O4 | 125.1° | 124.9° |
| C23 | C20 | H25 | 107.6° | 110.8° |
| C8 | N4 | C24 | 120.0° | 120.0° |
| N4 | C8 | H7 | 109.5° | 109.5° |
| C8 | N4 | H31 | 120.0° | 119.9° |
| N4 | C24 | C25 | 116.3° | 120.0° |
| N4 | C24 | O5 | 121.6° | 120.0° |
| C24 | N4 | H31 | 120.0° | 120.0° |
| C24 | C25 | C26 | 110.2° | 109.5° |
| C25 | C24 | O5 | 122.1° | 120.0° |
| C24 | C25 | H32 | 109.3° | 109.5° |
| C24 | C25 | H33 | 109.3° | 109.5° |
| C25 | C26 | C27 | 115.1° | 109.4° |
| C25 | C26 | H34 | 108.1° | 109.4° |
| C25 | C26 | H35 | 108.0° | 109.5° |
| C26 | C25 | H32 | 109.3° | 109.5° |
| C26 | C25 | H33 | 109.3° | 109.5° |
| C26 | C27 | C28 | 120.6° | 120.1° |
| C26 | C27 | C32 | 121.2° | 120.0° |
| C27 | C26 | H34 | 108.0° | 109.5° |
| C27 | C26 | H35 | 108.1° | 109.5° |
| C27 | C28 | C29 | 121.1° | 120.0° |
| C28 | C27 | C32 | 118.2° | 120.0° |
| C27 | C28 | H36 | 119.4° | 119.9° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | H36 | 119.4° | 120.1° |
| C28 | C29 | H37 | 120.0° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | H37 | 120.0° | 120.0° |
| C29 | C30 | H38 | 120.1° | 120.0° |
| C30 | C31 | C32 | 120.3° | 120.0° |
| C31 | C30 | H38 | 120.1° | 120.0° |
| C30 | C31 | H39 | 119.8° | 120.0° |
| C31 | C32 | C27 | 120.6° | 120.0° |
| C32 | C31 | H39 | 119.9° | 120.0° |
| C31 | C32 | H40 | 119.7° | 120.0° |
| C27 | C32 | H40 | 119.7° | 119.9° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 110.9° |
| H28 | C22 | H29 | 109.4° | 110.2° |
| H34 | C26 | H35 | 109.4° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.7° |
| H23 | C19 | H24 | 109.4° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C13 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 1.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C7 | 178.4° | 179.0° |
| C1 | C2 | C13 | C14 | 43.9° | 106.9° |
| C1 | C2 | C13 | H12 | 164.8° | 13.1° |
| C1 | C2 | C13 | H13 | 77.0° | 133.1° |
| C1 | C2 | C3 | H2 | 179.5° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.9° |
| C3 | C2 | C1 | C6 | 0.2° | 0.1° |
| C3 | C2 | C13 | C14 | 136.4° | 73.1° |
| C2 | C3 | C4 | H3 | 179.5° | 179.0° |
| C3 | C2 | C13 | H12 | 15.5° | 167.0° |
| C3 | C2 | C13 | H13 | 102.7° | 47.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.8° |
| C3 | C4 | C5 | H3 | 180.0° | 178.1° |
| C3 | C4 | C5 | C6 | 0.1° | 1.9° |
| C4 | C3 | C2 | C13 | 179.7° | 179.9° |
| C3 | C4 | C5 | H4 | 179.9° | 178.1° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 1.9° |
| C4 | C5 | C6 | C7 | 178.5° | 178.0° |
| C5 | C4 | C3 | H2 | 179.5° | 179.0° |
| C5 | C6 | C1 | C7 | 178.2° | 180.0° |
| C5 | C6 | C7 | C8 | 99.9° | 109.6° |
| C6 | C5 | C4 | H3 | 179.9° | 180.0° |
| C5 | C6 | C7 | H5 | 139.4° | 10.4° |
| C5 | C6 | C7 | H6 | 20.7° | 130.5° |
| C5 | C6 | C1 | H1 | 179.8° | 179.2° |
| C1 | C6 | C7 | C8 | 78.3° | 70.4° |
| C6 | C1 | C2 | C13 | 180.0° | 179.9° |
| C1 | C6 | C5 | H4 | 179.7° | 178.0° |
| C1 | C6 | C7 | H5 | 42.4° | 169.6° |
| C1 | C6 | C7 | H6 | 161.1° | 49.5° |
| C6 | C7 | C8 | H5 | 120.7° | 120.0° |
| C6 | C7 | C8 | H6 | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 79.9° | 96.2° |
| C6 | C7 | C8 | N4 | 155.2° | 143.8° |
| C7 | C6 | C5 | H4 | 1.5° | 2.0° |
| C6 | C7 | H5 | H6 | 117.9° | 120.0° |
| C6 | C7 | C8 | H7 | 38.3° | 23.8° |
| C7 | C6 | C1 | H1 | 1.6° | 0.8° |
| C7 | C8 | C9 | N4 | 118.3° | 120.0° |
| C7 | C8 | C9 | H7 | 118.2° | 120.0° |
| C7 | C8 | C9 | O1 | 44.0° | 18.7° |
| C7 | C8 | C9 | N1 | 137.2° | 161.3° |
| C7 | C8 | N4 | H7 | 116.0° | 119.9° |
| C7 | C8 | N4 | C24 | 91.9° | 155.0° |
| C8 | C7 | H5 | H6 | 117.8° | 120.0° |
| C7 | C8 | N4 | H31 | 88.1° | 25.1° |
| C8 | C9 | O1 | N1 | 178.8° | 180.0° |
| C8 | C9 | N1 | C10 | 170.5° | 180.0° |
| C9 | C8 | N4 | H7 | 123.0° | 120.0° |
| C9 | C8 | N4 | C24 | 147.1° | 85.0° |
| C8 | C9 | N1 | H8 | 9.5° | 0.4° |
| C9 | C8 | C7 | H5 | 159.4° | 143.7° |
| C9 | C8 | C7 | H6 | 40.8° | 23.7° |
| C9 | C8 | N4 | H31 | 32.9° | 95.0° |
| O1 | C9 | N1 | C10 | 10.7° | 0.0° |
| O1 | C9 | C8 | N4 | 74.3° | 138.7° |
| O1 | C9 | N1 | H8 | 169.3° | 179.6° |
| O1 | C9 | C8 | H7 | 162.2° | 101.3° |
| C9 | N1 | C10 | H8 | 180.0° | 179.7° |
| C9 | N1 | C10 | C11 | 118.4° | 113.2° |
| C9 | N1 | C10 | C19 | 116.0° | 127.0° |
| N1 | C9 | C8 | N4 | 104.5° | 41.3° |
| N1 | C9 | C8 | H7 | 19.0° | 78.8° |
| C9 | N1 | C10 | H9 | 2.1° | 6.6° |
| N1 | C10 | C11 | C19 | 123.6° | 119.8° |
| N1 | C10 | C11 | H9 | 116.9° | 119.8° |
| N1 | C10 | C11 | C12 | 52.7° | 121.2° |
| N1 | C10 | C11 | O2 | 64.8° | 118.7° |
| N1 | C10 | C19 | H9 | 118.6° | 120.3° |
| N1 | C10 | C19 | C20 | 60.5° | 65.0° |
| N1 | C10 | C11 | H10 | 174.0° | 1.2° |
| N1 | C10 | C19 | H23 | 178.6° | 175.0° |
| N1 | C10 | C19 | H24 | 60.4° | 55.1° |
| C10 | C11 | C12 | O2 | 119.9° | 120.1° |
| C10 | C11 | C12 | H10 | 121.1° | 119.9° |
| C10 | C11 | C12 | N2 | 106.1° | 109.4° |
| C10 | C11 | O2 | H10 | 120.2° | 119.9° |
| C10 | C11 | C12 | O3 | 73.5° | 70.6° |
| C11 | C10 | C19 | H9 | 119.5° | 120.3° |
| C11 | C10 | C19 | C20 | 177.6° | 175.6° |
| C11 | C10 | N1 | H8 | 61.6° | 67.1° |
| C10 | C11 | O2 | H22 | 180.0° | 180.0° |
| C11 | C10 | C19 | H23 | 56.7° | 55.7° |
| C11 | C10 | C19 | H24 | 61.6° | 64.3° |
| C11 | C12 | N2 | O3 | 179.7° | 180.0° |
| C11 | C12 | N2 | C18 | 177.2° | 179.7° |
| C12 | C11 | O2 | H10 | 118.0° | 120.0° |
| C12 | C11 | C10 | C19 | 70.9° | 119.0° |
| C12 | C11 | C10 | H9 | 169.5° | 1.4° |
| C11 | C12 | N2 | H11 | 2.8° | 0.3° |
| C12 | C11 | O2 | H22 | 58.2° | 59.9° |
| C12 | N2 | C18 | C17 | 177.0° | 168.6° |
| C12 | N2 | C18 | H11 | 180.0° | 180.0° |
| N2 | C12 | C11 | O2 | 13.8° | 130.5° |
| N2 | C12 | C11 | H10 | 132.7° | 10.5° |
| C12 | N2 | C18 | H20 | 62.4° | 48.8° |
| C12 | N2 | C18 | H21 | 56.3° | 71.6° |
| C2 | C13 | C14 | H12 | 120.9° | 119.9° |
| C2 | C13 | C14 | H13 | 120.9° | 120.0° |
| C2 | C13 | C14 | C15 | 43.3° | 117.1° |
| C2 | C13 | H12 | H13 | 117.1° | 120.0° |
| C13 | C2 | C1 | H1 | 0.0° | 0.1° |
| C13 | C2 | C3 | H2 | 0.3° | 0.2° |
| C2 | C13 | C14 | H14 | 136.7° | 62.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 4.9° | 0.0° |
| C14 | C13 | H12 | H13 | 117.1° | 120.0° |
| C13 | C14 | C15 | H15 | 175.1° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 135.7° | 171.1° |
| C15 | C14 | C13 | H12 | 77.6° | 2.8° |
| C15 | C14 | C13 | H13 | 164.2° | 122.8° |
| C14 | C15 | C16 | H16 | 103.6° | 68.9° |
| C14 | C15 | C16 | H17 | 15.0° | 51.1° |
| C15 | C16 | C17 | H16 | 120.7° | 119.9° |
| C15 | C16 | C17 | H17 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 141.7° | 148.8° |
| C15 | C16 | C17 | H18 | 97.6° | 91.2° |
| C15 | C16 | C17 | H19 | 21.1° | 28.7° |
| C16 | C15 | C14 | H14 | 175.1° | 180.0° |
| C15 | C16 | H16 | H17 | 117.7° | 120.0° |
| C16 | C17 | C18 | H18 | 120.6° | 120.0° |
| C16 | C17 | C18 | H19 | 120.6° | 120.0° |
| C16 | C17 | C18 | N2 | 43.3° | 62.3° |
| C17 | C16 | C15 | H15 | 44.3° | 9.0° |
| C16 | C17 | H18 | H19 | 118.1° | 119.9° |
| C17 | C16 | H16 | H17 | 117.8° | 120.1° |
| C16 | C17 | C18 | H20 | 164.0° | 57.5° |
| C16 | C17 | C18 | H21 | 77.4° | 177.9° |
| C17 | C18 | N2 | H20 | 120.7° | 119.8° |
| C17 | C18 | N2 | H21 | 120.7° | 119.8° |
| C18 | C17 | H18 | H19 | 118.1° | 120.0° |
| C17 | C18 | N2 | H11 | 3.1° | 11.4° |
| C18 | C17 | C16 | H16 | 21.0° | 28.8° |
| C18 | C17 | C16 | H17 | 97.6° | 91.2° |
| C17 | C18 | H20 | H21 | 117.9° | 120.3° |
| C18 | N2 | C12 | O3 | 2.5° | 0.2° |
| N2 | C18 | C17 | H18 | 77.3° | 177.7° |
| N2 | C18 | C17 | H19 | 163.9° | 57.7° |
| N2 | C18 | H20 | H21 | 117.9° | 120.4° |
| O2 | C11 | C12 | O3 | 166.5° | 49.4° |
| O2 | C11 | C10 | C19 | 171.6° | 1.1° |
| O2 | C11 | C10 | H9 | 52.1° | 121.5° |
| O3 | C12 | C11 | H10 | 47.6° | 169.4° |
| O3 | C12 | N2 | H11 | 177.5° | 179.7° |
| C10 | C19 | C20 | H23 | 120.9° | 120.0° |
| C10 | C19 | C20 | H24 | 120.9° | 120.1° |
| C10 | C19 | C20 | C21 | 79.1° | 175.0° |
| C10 | C19 | C20 | C23 | 160.0° | 70.4° |
| C19 | C10 | N1 | H8 | 64.0° | 52.7° |
| C10 | C19 | C20 | H25 | 42.5° | 52.4° |
| C19 | C10 | C11 | H10 | 50.4° | 121.0° |
| C10 | C19 | H23 | H24 | 117.3° | 120.0° |
| C19 | C20 | C21 | C23 | 124.3° | 118.4° |
| C19 | C20 | C21 | H25 | 121.6° | 122.6° |
| C19 | C20 | C21 | C22 | 138.1° | 143.5° |
| C19 | C20 | C23 | N3 | 134.4° | 135.2° |
| C19 | C20 | C23 | H25 | 117.4° | 122.6° |
| C19 | C20 | C23 | O4 | 46.5° | 44.7° |
| C20 | C19 | C10 | H9 | 58.1° | 55.3° |
| C19 | C20 | C21 | H26 | 18.7° | 25.0° |
| C19 | C20 | C21 | H27 | 102.5° | 98.7° |
| C20 | C19 | H23 | H24 | 117.2° | 120.0° |
| C20 | C21 | C22 | H26 | 119.4° | 118.2° |
| C20 | C21 | C22 | H27 | 119.3° | 118.0° |
| C20 | C21 | C22 | N3 | 16.6° | 25.6° |
| C21 | C20 | C23 | N3 | 5.7° | 16.6° |
| C21 | C20 | C23 | H25 | 113.9° | 118.8° |
| C21 | C20 | C23 | O4 | 175.3° | 163.3° |
| C20 | C21 | H26 | H27 | 121.9° | 123.9° |
| C20 | C21 | C22 | H28 | 135.7° | 93.4° |
| C20 | C21 | C22 | H29 | 102.5° | 144.6° |
| C21 | C20 | C19 | H23 | 160.0° | 65.0° |
| C21 | C20 | C19 | H24 | 41.8° | 54.9° |
| C21 | C22 | N3 | H28 | 119.1° | 119.0° |
| C21 | C22 | N3 | H29 | 119.1° | 119.0° |
| C21 | C22 | N3 | C23 | 14.3° | 17.0° |
| C22 | C21 | C20 | C23 | 13.8° | 25.1° |
| C21 | C22 | N3 | H30 | 165.6° | 162.7° |
| C22 | C21 | C20 | H25 | 100.3° | 93.9° |
| C22 | C21 | H26 | H27 | 121.9° | 123.7° |
| C21 | C22 | H28 | H29 | 122.7° | 122.0° |
| C22 | N3 | C23 | H30 | 180.0° | 179.7° |
| C22 | N3 | C23 | C20 | 5.6° | 0.2° |
| C22 | N3 | C23 | O4 | 173.5° | 179.9° |
| N3 | C22 | C21 | H26 | 102.8° | 92.6° |
| N3 | C22 | C21 | H27 | 135.9° | 143.6° |
| N3 | C22 | H28 | H29 | 122.7° | 122.0° |
| N3 | C23 | C20 | O4 | 179.0° | 179.9° |
| N3 | C23 | C20 | H25 | 108.2° | 102.2° |
| C23 | N3 | C22 | H28 | 133.4° | 102.0° |
| C23 | N3 | C22 | H29 | 104.7° | 136.0° |
| C20 | C23 | N3 | H30 | 174.4° | 179.6° |
| C23 | C20 | C21 | H26 | 105.6° | 93.3° |
| C23 | C20 | C21 | H27 | 133.2° | 142.9° |
| C23 | C20 | C19 | H23 | 39.1° | 49.5° |
| C23 | C20 | C19 | H24 | 79.1° | 169.5° |
| O4 | C23 | N3 | H30 | 6.6° | 0.3° |
| O4 | C23 | C20 | H25 | 70.8° | 77.9° |
| C8 | N4 | C24 | H31 | 180.0° | 179.9° |
| C8 | N4 | C24 | C25 | 141.1° | 180.0° |
| C8 | N4 | C24 | O5 | 41.0° | 0.0° |
| N4 | C8 | C7 | H5 | 34.5° | 23.7° |
| N4 | C8 | C7 | H6 | 84.1° | 96.3° |
| N4 | C24 | C25 | O5 | 177.9° | 180.0° |
| N4 | C24 | C25 | C26 | 99.2° | 180.0° |
| C24 | N4 | C8 | H7 | 24.2° | 35.0° |
| N4 | C24 | C25 | H32 | 20.9° | 60.0° |
| N4 | C24 | C25 | H33 | 140.7° | 60.0° |
| C24 | C25 | C26 | H32 | 120.1° | 120.0° |
| C24 | C25 | C26 | H33 | 120.1° | 120.0° |
| C24 | C25 | C26 | C27 | 150.2° | 180.0° |
| C24 | C25 | C26 | H34 | 89.0° | 60.0° |
| C24 | C25 | C26 | H35 | 29.4° | 60.0° |
| C25 | C24 | N4 | H31 | 38.9° | 0.0° |
| C24 | C25 | H32 | H33 | 119.7° | 120.0° |
| C25 | C26 | C27 | H34 | 120.8° | 119.9° |
| C25 | C26 | C27 | H35 | 120.8° | 120.0° |
| C25 | C26 | C27 | C28 | 52.4° | 90.0° |
| C25 | C26 | C27 | C32 | 127.8° | 90.1° |
| C26 | C25 | C24 | O5 | 82.9° | 0.0° |
| C25 | C26 | H34 | H35 | 117.4° | 120.0° |
| C26 | C25 | H32 | H33 | 119.6° | 120.0° |
| C26 | C27 | C28 | C32 | 179.8° | 179.9° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C26 | C27 | C32 | C31 | 179.8° | 179.4° |
| C27 | C26 | H34 | H35 | 117.4° | 120.1° |
| C26 | C27 | C28 | H36 | 0.2° | 0.3° |
| C27 | C26 | C25 | H32 | 30.1° | 60.0° |
| C27 | C26 | C25 | H33 | 89.7° | 60.0° |
| C26 | C27 | C32 | H40 | 0.2° | 0.1° |
| C27 | C28 | C29 | H36 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C28 | C27 | C32 | C31 | 0.4° | 0.5° |
| C28 | C27 | C26 | H34 | 68.5° | 29.9° |
| C28 | C27 | C26 | H35 | 173.2° | 150.0° |
| C27 | C28 | C29 | H37 | 179.8° | 179.7° |
| C28 | C27 | C32 | H40 | 179.6° | 180.0° |
| C28 | C29 | C30 | H37 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C29 | C28 | C27 | C32 | 0.4° | 0.1° |
| C28 | C29 | C30 | H38 | 179.8° | 180.0° |
| C29 | C30 | C31 | H38 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.5° |
| C30 | C29 | C28 | H36 | 179.9° | 180.0° |
| C29 | C30 | C31 | H39 | 179.7° | 180.0° |
| C30 | C31 | C32 | H39 | 180.0° | 179.4° |
| C30 | C31 | C32 | C27 | 0.0° | 0.8° |
| C31 | C30 | C29 | H37 | 179.8° | 180.0° |
| C30 | C31 | C32 | H40 | 180.0° | 179.8° |
| C31 | C32 | C27 | H40 | 180.0° | 179.5° |
| C32 | C31 | C30 | H38 | 179.7° | 179.4° |
| C32 | C27 | C26 | H34 | 111.3° | 150.0° |
| C32 | C27 | C26 | H35 | 7.0° | 29.9° |
| C32 | C27 | C28 | H36 | 179.6° | 179.8° |
| C27 | C32 | C31 | H39 | 180.0° | 179.8° |
| O5 | C24 | N4 | H31 | 139.1° | 179.9° |
| O5 | C24 | C25 | H32 | 157.0° | 120.0° |
| O5 | C24 | C25 | H33 | 37.2° | 120.0° |
| H8 | N1 | C10 | H9 | 177.9° | 173.1° |
| H30 | N3 | C22 | H28 | 46.5° | 78.3° |
| H30 | N3 | C22 | H29 | 75.3° | 43.7° |
| H3 | C4 | C5 | H4 | 0.1° | 0.0° |
| H3 | C4 | C3 | H2 | 0.5° | 0.9° |
| H5 | C7 | C8 | H7 | 82.3° | 96.2° |
| H6 | C7 | C8 | H7 | 159.0° | 143.8° |
| H7 | C8 | N4 | H31 | 155.9° | 145.0° |
| H9 | C10 | C11 | H10 | 69.1° | 118.6° |
| H9 | C10 | C19 | H23 | 62.8° | 64.6° |
| H9 | C10 | C19 | H24 | 179.0° | 175.4° |
| H12 | C13 | C14 | H14 | 102.4° | 177.2° |
| H13 | C13 | C14 | H14 | 15.8° | 57.2° |
| H15 | C15 | C14 | H14 | 4.9° | 0.0° |
| H15 | C15 | C16 | H16 | 76.4° | 111.0° |
| H15 | C15 | C16 | H17 | 165.0° | 129.0° |
| H18 | C17 | C16 | H16 | 141.6° | 148.9° |
| H18 | C17 | C16 | H17 | 23.1° | 28.8° |
| H18 | C17 | C18 | H20 | 43.4° | 62.5° |
| H18 | C17 | C18 | H21 | 162.0° | 57.9° |
| H19 | C17 | C16 | H16 | 99.6° | 91.2° |
| H19 | C17 | C16 | H17 | 141.8° | 148.7° |
| H19 | C17 | C18 | H20 | 75.4° | 177.4° |
| H19 | C17 | C18 | H21 | 43.2° | 62.2° |
| H25 | C20 | C21 | H26 | 140.4° | 147.7° |
| H25 | C20 | C21 | H27 | 19.1° | 23.9° |
| H25 | C20 | C19 | H23 | 78.4° | 172.4° |
| H25 | C20 | C19 | H24 | 163.4° | 67.7° |
| H26 | C21 | C22 | H28 | 16.3° | 148.4° |
| H26 | C21 | C22 | H29 | 138.1° | 26.4° |
| H27 | C21 | C22 | H28 | 105.0° | 24.6° |
| H27 | C21 | C22 | H29 | 16.8° | 97.4° |
| H34 | C26 | C25 | H32 | 150.9° | 180.0° |
| H34 | C26 | C25 | H33 | 31.1° | 60.0° |
| H35 | C26 | C25 | H32 | 90.8° | 60.0° |
| H35 | C26 | C25 | H33 | 149.5° | 180.0° |
| H36 | C28 | C29 | H37 | 0.2° | 0.0° |
| H10 | C11 | O2 | H22 | 59.8° | 60.1° |
| H11 | N2 | C18 | H20 | 117.6° | 131.2° |
| H11 | N2 | C18 | H21 | 123.7° | 108.4° |
| H37 | C29 | C30 | H38 | 0.2° | 0.0° |
| H38 | C30 | C31 | H39 | 0.3° | 0.0° |
| H39 | C31 | C32 | H40 | 0.0° | 0.3° |
