A1I6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C23 | sing | 1.36Å | 1.37Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C4 | doub | 1.21Å | 1.23Å | |
| C23 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C10 | doub | 1.22Å | 1.23Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C18 | C3 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.54Å | 1.55Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C9 | C5 | sing | 1.54Å | 1.55Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.50Å | 1.50Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.48Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C17 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | N4 | sing | 1.34Å | 1.33Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| N1 | H29 | sing | 0.97Å | 1.00Å | |
| N | H30 | sing | 0.97Å | 1.00Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O3 | C23 | 117.8° | 117.0° |
| O3 | C24 | H21 | 109.5° | 109.4° |
| O3 | C24 | H22 | 109.5° | 109.5° |
| O3 | C24 | H23 | 109.5° | 109.5° |
| O3 | C23 | C22 | 123.8° | 120.1° |
| O3 | C23 | C18 | 115.3° | 120.1° |
| C23 | C22 | C21 | 119.7° | 119.9° |
| C22 | C23 | C18 | 120.9° | 119.9° |
| C23 | C22 | H20 | 120.2° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.1° |
| C22 | C21 | H19 | 119.9° | 120.0° |
| C21 | C22 | H20 | 120.2° | 120.0° |
| O1 | C4 | C5 | 121.4° | 120.0° |
| O1 | C4 | N1 | 122.9° | 120.0° |
| C23 | C18 | C3 | 121.1° | 120.0° |
| C23 | C18 | C19 | 118.0° | 119.9° |
| C21 | C20 | C19 | 120.2° | 120.1° |
| C21 | C20 | H18 | 119.9° | 119.9° |
| C20 | C21 | H19 | 119.9° | 120.0° |
| O2 | C10 | N2 | 123.0° | 120.0° |
| O2 | C10 | C11 | 119.9° | 120.0° |
| C6 | C7 | C8 | 106.3° | 104.2° |
| C7 | C6 | C5 | 106.6° | 106.6° |
| C6 | C7 | H4 | 110.2° | 110.5° |
| C6 | C7 | H5 | 110.3° | 110.5° |
| C7 | C6 | H26 | 110.2° | 110.0° |
| C7 | C6 | H27 | 110.2° | 110.0° |
| C7 | C8 | C9 | 103.7° | 102.8° |
| C8 | C7 | H4 | 110.3° | 110.5° |
| C8 | C7 | H5 | 110.3° | 110.4° |
| C7 | C8 | H6 | 110.9° | 110.7° |
| C7 | C8 | H7 | 110.9° | 110.7° |
| C3 | C18 | C19 | 120.9° | 120.0° |
| C18 | C3 | N1 | 112.6° | 109.5° |
| C18 | C3 | C2 | 112.8° | 109.5° |
| C18 | C3 | H3 | 107.5° | 109.4° |
| C18 | C19 | C20 | 121.0° | 120.0° |
| C18 | C19 | H17 | 119.5° | 119.9° |
| C5 | C4 | N1 | 115.6° | 120.1° |
| C4 | C5 | C6 | 113.2° | 110.0° |
| C4 | C5 | C9 | 110.4° | 110.1° |
| C4 | C5 | H28 | 109.8° | 110.0° |
| C4 | N1 | C3 | 122.8° | 120.0° |
| C4 | N1 | H29 | 118.5° | 120.0° |
| C6 | C5 | C9 | 104.6° | 106.6° |
| C5 | C6 | H26 | 110.2° | 110.0° |
| C5 | C6 | H27 | 110.2° | 110.1° |
| C6 | C5 | H28 | 109.4° | 110.0° |
| C20 | C19 | H17 | 119.5° | 120.0° |
| C19 | C20 | H18 | 119.9° | 119.9° |
| N1 | C3 | C2 | 108.2° | 109.5° |
| N1 | C3 | H3 | 108.2° | 109.5° |
| C3 | N1 | H29 | 118.6° | 120.0° |
| C3 | C2 | C1 | 110.8° | 109.5° |
| C3 | C2 | H1 | 109.1° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | H3 | 107.3° | 109.5° |
| C8 | C9 | C5 | 104.0° | 104.2° |
| C8 | C9 | N2 | 113.4° | 110.5° |
| C9 | C8 | H6 | 110.9° | 110.8° |
| C9 | C8 | H7 | 110.9° | 111.0° |
| C8 | C9 | H8 | 108.7° | 110.5° |
| C5 | C9 | N2 | 112.5° | 110.5° |
| C5 | C9 | H8 | 108.5° | 110.5° |
| C9 | C5 | H28 | 109.4° | 110.1° |
| C9 | N2 | C10 | 120.5° | 120.0° |
| N2 | C9 | H8 | 109.7° | 110.6° |
| C9 | N2 | H25 | 119.8° | 120.0° |
| O | C1 | C2 | 121.8° | 119.9° |
| O | C1 | N | 122.5° | 120.1° |
| C15 | C16 | C17 | 111.5° | 108.3° |
| C16 | C15 | C14 | 112.5° | 109.6° |
| C16 | C15 | H13 | 108.7° | 109.3° |
| C16 | C15 | H14 | 108.7° | 109.5° |
| C15 | C16 | H15 | 109.0° | 109.7° |
| C15 | C16 | H16 | 109.0° | 109.7° |
| C16 | C17 | C11 | 131.4° | 129.4° |
| C16 | C17 | C12 | 123.9° | 124.6° |
| C17 | C16 | H15 | 109.0° | 109.8° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| N2 | C10 | C11 | 117.0° | 120.0° |
| C10 | N2 | H25 | 119.7° | 120.0° |
| C10 | C11 | C17 | 129.6° | 126.7° |
| C10 | C11 | N3 | 124.0° | 126.7° |
| C15 | C14 | C13 | 112.5° | 109.7° |
| C15 | C14 | H11 | 108.7° | 109.5° |
| C15 | C14 | H12 | 108.7° | 109.4° |
| C14 | C15 | H13 | 108.7° | 109.4° |
| C14 | C15 | H14 | 108.7° | 109.5° |
| C2 | C1 | N | 115.8° | 120.0° |
| C1 | C2 | H1 | 109.2° | 109.4° |
| C1 | C2 | H2 | 109.1° | 109.4° |
| C1 | N | C | 122.1° | 120.0° |
| C1 | N | H30 | 118.9° | 120.0° |
| C11 | C17 | C12 | 104.7° | 106.0° |
| C17 | C11 | N3 | 106.1° | 106.6° |
| C17 | C12 | C13 | 122.7° | 123.9° |
| C17 | C12 | N4 | 112.1° | 107.2° |
| C11 | N3 | N4 | 112.2° | 110.1° |
| C14 | C13 | C12 | 111.0° | 108.3° |
| C14 | C13 | H9 | 109.1° | 109.7° |
| C14 | C13 | H10 | 109.1° | 109.8° |
| C13 | C14 | H11 | 108.7° | 109.4° |
| C13 | C14 | H12 | 108.7° | 109.4° |
| C | N | H30 | 118.9° | 120.0° |
| N | C | H31 | 109.5° | 109.5° |
| N | C | H32 | 109.4° | 109.5° |
| N | C | H33 | 109.4° | 109.5° |
| C13 | C12 | N4 | 125.2° | 128.9° |
| C12 | C13 | H9 | 109.1° | 109.7° |
| C12 | C13 | H10 | 109.1° | 109.7° |
| C12 | N4 | N3 | 104.8° | 110.1° |
| C12 | N4 | H24 | 127.6° | 124.9° |
| N3 | N4 | H24 | 127.6° | 125.0° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H4 | C7 | H5 | 109.5° | 110.6° |
| H6 | C8 | H7 | 109.5° | 110.6° |
| H9 | C13 | H10 | 109.5° | 109.7° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.4° | 109.8° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H23 | 109.4° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H26 | C6 | H27 | 109.5° | 110.1° |
| H31 | C | H32 | 109.5° | 109.4° |
| H31 | C | H33 | 109.5° | 109.5° |
| H32 | C | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | O3 | C23 | C22 | 7.1° | 0.1° |
| C24 | O3 | C23 | C18 | 171.3° | 179.7° |
| O3 | C24 | H21 | H22 | 120.0° | 120.0° |
| O3 | C24 | H21 | H23 | 120.0° | 119.9° |
| O3 | C24 | H22 | H23 | 120.0° | 120.0° |
| O3 | C23 | C22 | C18 | 178.3° | 179.6° |
| O3 | C23 | C22 | C21 | 178.3° | 180.0° |
| O3 | C23 | C18 | C3 | 1.4° | 0.1° |
| O3 | C23 | C18 | C19 | 179.2° | 179.8° |
| O3 | C23 | C22 | H20 | 1.6° | 0.4° |
| C23 | O3 | C24 | H21 | 180.0° | 60.0° |
| C23 | O3 | C24 | H22 | 60.0° | 179.9° |
| C23 | O3 | C24 | H23 | 60.0° | 59.9° |
| C23 | C22 | C21 | H20 | 180.0° | 179.6° |
| C23 | C22 | C21 | C20 | 1.3° | 0.1° |
| C22 | C23 | C18 | C3 | 179.9° | 179.7° |
| C22 | C23 | C18 | C19 | 0.8° | 0.6° |
| C23 | C22 | C21 | H19 | 178.8° | 179.9° |
| C21 | C22 | C23 | C18 | 0.0° | 0.4° |
| C22 | C21 | C20 | H19 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.7° | 0.1° |
| C22 | C21 | C20 | H18 | 178.3° | 180.0° |
| O1 | C4 | C5 | N1 | 178.4° | 179.9° |
| O1 | C4 | C5 | C6 | 56.9° | 117.2° |
| O1 | C4 | N1 | C3 | 3.6° | 0.1° |
| O1 | C4 | C5 | C9 | 59.9° | 0.1° |
| O1 | C4 | C5 | H28 | 179.5° | 121.4° |
| O1 | C4 | N1 | H29 | 176.4° | 179.9° |
| C23 | C18 | C3 | C19 | 179.4° | 179.7° |
| C23 | C18 | C19 | C20 | 0.3° | 0.5° |
| C23 | C18 | C3 | N1 | 160.9° | 160.3° |
| C23 | C18 | C3 | C2 | 76.2° | 79.7° |
| C23 | C18 | C3 | H3 | 41.8° | 40.3° |
| C23 | C18 | C19 | H17 | 179.8° | 179.7° |
| C18 | C23 | C22 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.0° | 0.3° |
| C21 | C20 | C19 | H18 | 180.0° | 179.9° |
| C21 | C20 | C19 | H17 | 179.0° | 180.0° |
| C20 | C21 | C22 | H20 | 178.8° | 179.8° |
| O2 | C10 | N2 | C9 | 4.6° | 0.1° |
| O2 | C10 | N2 | C11 | 175.9° | 179.9° |
| O2 | C10 | C11 | C17 | 10.0° | 0.2° |
| O2 | C10 | C11 | N3 | 176.6° | 180.0° |
| O2 | C10 | N2 | H25 | 175.4° | 180.0° |
| C6 | C7 | C8 | H4 | 119.5° | 118.7° |
| C6 | C7 | C8 | H5 | 119.5° | 118.6° |
| C7 | C6 | C5 | C4 | 132.6° | 119.3° |
| C7 | C6 | C5 | H26 | 119.5° | 119.2° |
| C7 | C6 | C5 | H27 | 119.6° | 119.3° |
| C6 | C7 | C8 | C9 | 31.5° | 37.9° |
| C7 | C6 | C5 | C9 | 12.4° | 0.0° |
| C6 | C7 | H4 | H5 | 121.5° | 122.6° |
| C6 | C7 | C8 | H6 | 150.5° | 156.3° |
| C6 | C7 | C8 | H7 | 87.6° | 80.6° |
| C7 | C6 | H26 | H27 | 121.3° | 121.4° |
| C7 | C6 | C5 | H28 | 104.6° | 119.3° |
| C8 | C7 | C6 | C5 | 11.7° | 23.6° |
| C7 | C8 | C9 | H6 | 119.1° | 118.3° |
| C7 | C8 | C9 | H7 | 119.1° | 118.4° |
| C7 | C8 | C9 | C5 | 39.2° | 38.0° |
| C7 | C8 | C9 | N2 | 161.6° | 156.6° |
| C8 | C7 | H4 | H5 | 121.5° | 122.6° |
| C7 | C8 | H6 | H7 | 122.7° | 123.1° |
| C7 | C8 | C9 | H8 | 76.2° | 80.7° |
| C8 | C7 | C6 | H26 | 107.8° | 95.7° |
| C8 | C7 | C6 | H27 | 131.3° | 142.9° |
| C18 | C3 | N1 | C4 | 88.5° | 84.9° |
| C3 | C18 | C19 | C20 | 179.6° | 179.8° |
| C18 | C3 | N1 | C2 | 125.3° | 120.0° |
| C18 | C3 | N1 | H3 | 118.7° | 120.0° |
| C18 | C3 | C2 | H3 | 118.2° | 120.0° |
| C18 | C3 | C2 | C1 | 169.8° | 175.0° |
| C18 | C3 | C2 | H1 | 70.0° | 55.0° |
| C18 | C3 | C2 | H2 | 49.6° | 65.0° |
| C3 | C18 | C19 | H17 | 0.4° | 0.0° |
| C18 | C3 | N1 | H29 | 91.5° | 95.0° |
| C18 | C19 | C20 | H17 | 180.0° | 179.7° |
| C19 | C18 | C3 | N1 | 18.4° | 20.0° |
| C19 | C18 | C3 | C2 | 104.4° | 100.0° |
| C19 | C18 | C3 | H3 | 137.5° | 140.0° |
| C18 | C19 | C20 | H18 | 179.1° | 179.8° |
| C4 | C5 | C6 | C9 | 120.2° | 119.3° |
| C4 | C5 | C6 | H28 | 122.8° | 121.4° |
| C5 | C4 | N1 | C3 | 174.7° | 180.0° |
| C4 | C5 | C9 | C8 | 153.8° | 142.9° |
| C4 | C5 | C9 | H28 | 120.9° | 121.4° |
| C4 | C5 | C9 | N2 | 83.2° | 98.5° |
| C4 | C5 | C9 | H8 | 38.3° | 24.2° |
| C4 | C5 | C6 | H26 | 107.8° | 121.4° |
| C4 | C5 | C6 | H27 | 13.0° | 0.0° |
| C5 | C4 | N1 | H29 | 5.3° | 0.0° |
| N1 | C4 | C5 | C6 | 121.4° | 62.8° |
| C4 | N1 | C3 | H29 | 180.0° | 180.0° |
| C4 | N1 | C3 | C2 | 146.2° | 155.0° |
| N1 | C4 | C5 | C9 | 121.7° | 180.0° |
| C4 | N1 | C3 | H3 | 30.2° | 35.0° |
| N1 | C4 | C5 | H28 | 1.1° | 58.5° |
| C6 | C5 | C9 | C8 | 31.7° | 23.6° |
| C6 | C5 | C9 | H28 | 117.0° | 119.3° |
| C6 | C5 | C9 | N2 | 154.7° | 142.3° |
| C5 | C6 | C7 | H4 | 107.8° | 142.3° |
| C5 | C6 | C7 | H5 | 131.2° | 95.0° |
| C6 | C5 | C9 | H8 | 83.8° | 95.1° |
| C5 | C6 | H26 | H27 | 121.3° | 121.5° |
| C19 | C20 | C21 | H19 | 178.3° | 180.0° |
| N1 | C3 | C2 | H3 | 116.6° | 120.0° |
| N1 | C3 | C2 | C1 | 64.9° | 65.0° |
| N1 | C3 | C2 | H1 | 55.3° | 175.0° |
| N1 | C3 | C2 | H2 | 174.9° | 55.0° |
| C3 | C2 | C1 | O | 33.6° | 0.2° |
| C3 | C2 | C1 | H1 | 120.2° | 120.1° |
| C3 | C2 | C1 | H2 | 120.2° | 120.0° |
| C3 | C2 | C1 | N | 145.6° | 180.0° |
| C3 | C2 | H1 | H2 | 119.4° | 120.0° |
| C2 | C3 | N1 | H29 | 33.8° | 25.0° |
| C8 | C9 | C5 | N2 | 123.0° | 118.6° |
| C8 | C9 | C5 | H8 | 115.5° | 118.7° |
| C8 | C9 | N2 | H8 | 121.6° | 122.6° |
| C8 | C9 | N2 | C10 | 135.0° | 86.5° |
| C9 | C8 | C7 | H4 | 88.0° | 156.6° |
| C9 | C8 | C7 | H5 | 151.0° | 80.7° |
| C9 | C8 | H6 | H7 | 122.7° | 123.5° |
| C8 | C9 | N2 | H25 | 45.0° | 93.6° |
| C8 | C9 | C5 | H28 | 85.3° | 95.7° |
| C5 | C9 | N2 | H8 | 120.8° | 122.6° |
| C5 | C9 | N2 | C10 | 107.4° | 158.8° |
| C5 | C9 | C8 | H6 | 158.3° | 156.3° |
| C5 | C9 | C8 | H7 | 79.9° | 80.4° |
| C5 | C9 | N2 | H25 | 72.6° | 21.2° |
| C9 | C5 | C6 | H26 | 132.0° | 119.3° |
| C9 | C5 | C6 | H27 | 107.2° | 119.3° |
| C9 | N2 | C10 | H25 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 179.5° | 180.0° |
| N2 | C9 | C8 | H6 | 79.3° | 85.1° |
| N2 | C9 | C8 | H7 | 42.5° | 38.2° |
| N2 | C9 | C5 | H28 | 37.7° | 23.0° |
| O | C1 | C2 | N | 179.2° | 179.8° |
| O | C1 | N | C | 4.9° | 0.3° |
| O | C1 | C2 | H1 | 153.8° | 120.3° |
| O | C1 | C2 | H2 | 86.6° | 119.8° |
| O | C1 | N | H30 | 175.1° | 179.7° |
| C15 | C16 | C17 | H15 | 120.3° | 119.8° |
| C15 | C16 | C17 | H16 | 120.3° | 119.6° |
| C16 | C15 | C14 | H13 | 120.5° | 119.9° |
| C16 | C15 | C14 | H14 | 120.5° | 120.1° |
| C15 | C16 | C17 | C11 | 166.8° | 163.9° |
| C15 | C16 | C17 | C12 | 11.8° | 16.0° |
| C16 | C15 | C14 | C13 | 60.4° | 70.0° |
| C16 | C15 | C14 | H11 | 179.1° | 170.0° |
| C16 | C15 | C14 | H12 | 60.0° | 50.1° |
| C16 | C15 | H13 | H14 | 118.6° | 120.0° |
| C15 | C16 | H15 | H16 | 119.1° | 120.6° |
| C16 | C17 | C11 | C10 | 4.5° | 0.1° |
| C17 | C16 | C15 | C14 | 41.1° | 49.3° |
| C16 | C17 | C11 | C12 | 178.8° | 180.0° |
| C16 | C17 | C11 | N3 | 178.9° | 179.7° |
| C16 | C17 | C12 | C13 | 0.4° | 0.4° |
| C16 | C17 | C12 | N4 | 179.5° | 179.7° |
| C17 | C16 | C15 | H13 | 79.4° | 70.7° |
| C17 | C16 | C15 | H14 | 161.6° | 169.4° |
| C17 | C16 | H15 | H16 | 119.1° | 120.5° |
| N2 | C10 | C11 | C17 | 166.1° | 179.7° |
| N2 | C10 | C11 | N3 | 7.4° | 0.0° |
| C10 | N2 | C9 | H8 | 13.4° | 36.2° |
| C10 | C11 | C17 | N3 | 174.4° | 179.8° |
| C10 | C11 | C17 | C12 | 176.7° | 180.0° |
| C10 | C11 | N3 | N4 | 177.1° | 180.0° |
| C11 | C10 | N2 | H25 | 0.5° | 0.1° |
| C15 | C14 | C13 | H11 | 120.5° | 120.1° |
| C15 | C14 | C13 | H12 | 120.4° | 120.1° |
| C15 | C14 | C13 | C12 | 45.8° | 50.0° |
| C15 | C14 | C13 | H9 | 74.4° | 69.7° |
| C15 | C14 | C13 | H10 | 166.1° | 169.8° |
| C15 | C14 | H11 | H12 | 118.7° | 119.9° |
| C14 | C15 | H13 | H14 | 118.6° | 120.0° |
| C14 | C15 | C16 | H15 | 79.2° | 169.1° |
| C14 | C15 | C16 | H16 | 161.4° | 70.2° |
| C2 | C1 | N | C | 174.3° | 180.0° |
| C1 | C2 | H1 | H2 | 119.4° | 119.9° |
| C1 | C2 | C3 | H3 | 51.6° | 55.0° |
| C2 | C1 | N | H30 | 5.7° | 0.0° |
| C1 | N | C | H30 | 180.0° | 180.0° |
| N | C1 | C2 | H1 | 25.4° | 59.9° |
| N | C1 | C2 | H2 | 94.2° | 60.0° |
| C1 | N | C | H31 | 180.0° | 59.9° |
| C1 | N | C | H32 | 60.0° | 60.0° |
| C1 | N | C | H33 | 60.0° | 180.0° |
| C11 | C17 | C12 | C13 | 179.3° | 179.7° |
| C11 | C17 | C12 | N4 | 1.6° | 0.2° |
| C17 | C11 | N3 | N4 | 2.4° | 0.2° |
| C11 | C17 | C16 | H15 | 72.9° | 44.2° |
| C11 | C17 | C16 | H16 | 46.5° | 76.5° |
| C12 | C17 | C11 | N3 | 2.3° | 0.3° |
| C17 | C12 | C13 | C14 | 16.5° | 16.6° |
| C17 | C12 | C13 | N4 | 178.9° | 179.9° |
| C17 | C12 | N4 | N3 | 0.2° | 0.1° |
| C17 | C12 | C13 | H9 | 103.8° | 103.1° |
| C17 | C12 | C13 | H10 | 136.7° | 136.4° |
| C12 | C17 | C16 | H15 | 108.5° | 135.8° |
| C12 | C17 | C16 | H16 | 132.2° | 103.6° |
| C17 | C12 | N4 | H24 | 179.8° | 179.9° |
| C11 | N3 | N4 | C12 | 1.4° | 0.1° |
| C11 | N3 | N4 | H24 | 178.6° | 179.9° |
| C14 | C13 | C12 | H9 | 120.2° | 119.7° |
| C14 | C13 | C12 | H10 | 120.2° | 119.8° |
| C14 | C13 | C12 | N4 | 162.5° | 163.3° |
| C14 | C13 | H9 | H10 | 119.3° | 120.6° |
| C13 | C14 | H11 | H12 | 118.6° | 119.9° |
| C13 | C14 | C15 | H13 | 60.1° | 49.9° |
| C13 | C14 | C15 | H14 | 179.1° | 169.9° |
| N | C | H31 | H32 | 120.0° | 120.0° |
| N | C | H31 | H33 | 120.0° | 120.0° |
| N | C | H32 | H33 | 120.0° | 120.0° |
| C13 | C12 | N4 | N3 | 179.2° | 179.8° |
| C12 | C13 | H9 | H10 | 119.3° | 120.5° |
| C12 | C13 | C14 | H11 | 166.3° | 170.1° |
| C12 | C13 | C14 | H12 | 74.6° | 70.1° |
| C13 | C12 | N4 | H24 | 0.7° | 0.2° |
| C12 | N4 | N3 | H24 | 180.0° | 179.9° |
| N4 | C12 | C13 | H9 | 77.3° | 77.0° |
| N4 | C12 | C13 | H10 | 42.2° | 43.5° |
| H1 | C2 | C3 | H3 | 171.8° | 65.0° |
| H2 | C2 | C3 | H3 | 68.6° | 175.0° |
| H3 | C3 | N1 | H29 | 149.8° | 145.0° |
| H4 | C7 | C8 | H6 | 31.1° | 85.0° |
| H4 | C7 | C8 | H7 | 152.9° | 38.1° |
| H4 | C7 | C6 | H26 | 132.7° | 23.0° |
| H4 | C7 | C6 | H27 | 11.8° | 98.4° |
| H5 | C7 | C8 | H6 | 89.9° | 37.7° |
| H5 | C7 | C8 | H7 | 31.9° | 160.8° |
| H5 | C7 | C6 | H26 | 11.7° | 145.7° |
| H5 | C7 | C6 | H27 | 109.2° | 24.3° |
| H6 | C8 | C9 | H8 | 42.9° | 37.6° |
| H7 | C8 | C9 | H8 | 164.7° | 160.9° |
| H8 | C9 | N2 | H25 | 166.6° | 143.8° |
| H8 | C9 | C5 | H28 | 159.2° | 145.6° |
| H9 | C13 | C14 | H11 | 46.1° | 50.4° |
| H9 | C13 | C14 | H12 | 165.1° | 170.2° |
| H10 | C13 | C14 | H11 | 73.5° | 70.2° |
| H10 | C13 | C14 | H12 | 45.6° | 49.7° |
| H11 | C14 | C15 | H13 | 60.4° | 70.1° |
| H11 | C14 | C15 | H14 | 58.7° | 49.9° |
| H12 | C14 | C15 | H13 | 179.5° | 170.0° |
| H12 | C14 | C15 | H14 | 60.4° | 70.0° |
| H13 | C15 | C16 | H15 | 160.3° | 49.2° |
| H13 | C15 | C16 | H16 | 41.0° | 169.8° |
| H14 | C15 | C16 | H15 | 41.2° | 70.8° |
| H14 | C15 | C16 | H16 | 78.1° | 49.9° |
| H17 | C19 | C20 | H18 | 1.0° | 0.1° |
| H18 | C20 | C21 | H19 | 1.7° | 0.1° |
| H19 | C21 | C22 | H20 | 1.2° | 0.3° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
| H26 | C6 | C5 | H28 | 14.9° | 0.1° |
| H27 | C6 | C5 | H28 | 135.8° | 121.4° |
| H30 | N | C | H31 | 0.0° | 120.1° |
| H30 | N | C | H32 | 120.0° | 120.0° |
| H30 | N | C | H33 | 120.0° | 0.0° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
