A1IIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | N6 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N7 | C18 | sing | 1.47Å | 1.47Å | |
| N7 | C20 | sing | 1.47Å | 1.47Å | |
| C25 | O1 | sing | 1.43Å | 1.43Å | |
| N6 | C19 | sing | 1.47Å | 1.45Å | |
| N6 | C12 | sing | 1.38Å | 1.37Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C24 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.51Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | |
| C11 | C10 | sing | 1.40Å | 1.40Å | |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | sing | 1.41Å | 1.39Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| O2 | C10 | doub | 1.22Å | 1.24Å | |
| C10 | N5 | sing | 1.35Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C14 | sing | 1.36Å | 1.37Å | |
| N5 | C8 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | doub | 1.37Å | 1.36Å | Aromatic |
| C7 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| C8 | N4 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N4 | N3 | sing | 1.29Å | 1.37Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N7 | H26 | sing | 1.01Å | 1.00Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N6 | 105.1° | 108.8° |
| C15 | C16 | C17 | 111.4° | 109.3° |
| C16 | C15 | H16 | 110.5° | 109.6° |
| C16 | C15 | H17 | 110.6° | 109.6° |
| C15 | C16 | H19 | 109.0° | 109.5° |
| C15 | C16 | H20 | 109.0° | 109.5° |
| C15 | N6 | C19 | 109.4° | 118.7° |
| C15 | N6 | C12 | 124.5° | 120.6° |
| N6 | C15 | H16 | 110.6° | 109.6° |
| N6 | C15 | H17 | 110.6° | 109.5° |
| C16 | C17 | C18 | 113.0° | 109.5° |
| C17 | C16 | H19 | 109.0° | 109.5° |
| C17 | C16 | H20 | 109.0° | 109.5° |
| C16 | C17 | H21 | 108.6° | 109.4° |
| C16 | C17 | H22 | 108.6° | 109.4° |
| C17 | C18 | N7 | 110.6° | 109.5° |
| C17 | C18 | C19 | 114.0° | 109.3° |
| C18 | C17 | H21 | 108.6° | 109.5° |
| C18 | C17 | H22 | 108.6° | 109.5° |
| C17 | C18 | H23 | 107.5° | 109.4° |
| C18 | N7 | C20 | 112.9° | 111.0° |
| N7 | C18 | C19 | 109.0° | 109.5° |
| N7 | C18 | H23 | 108.3° | 109.5° |
| C18 | N7 | H26 | 108.6° | 111.0° |
| N7 | C20 | C21 | 109.3° | 109.5° |
| N7 | C20 | H3 | 109.5° | 109.5° |
| N7 | C20 | H4 | 109.5° | 109.4° |
| C20 | N7 | H26 | 108.6° | 111.0° |
| C25 | O1 | C2 | 118.7° | 117.0° |
| O1 | C25 | H32 | 109.5° | 109.5° |
| O1 | C25 | H33 | 109.5° | 109.5° |
| O1 | C25 | H34 | 109.5° | 109.4° |
| C19 | N6 | C12 | 124.6° | 120.7° |
| N6 | C19 | C18 | 108.3° | 108.8° |
| N6 | C19 | H24 | 109.8° | 109.6° |
| N6 | C19 | H25 | 109.8° | 109.5° |
| N6 | C12 | C11 | 119.0° | 120.5° |
| N6 | C12 | C13 | 121.4° | 120.6° |
| C19 | C18 | H23 | 107.3° | 109.5° |
| C18 | C19 | H24 | 109.8° | 109.6° |
| C18 | C19 | H25 | 109.8° | 109.6° |
| C20 | C21 | C22 | 115.9° | 113.6° |
| C20 | C21 | C24 | 115.2° | 113.6° |
| C21 | C20 | H3 | 109.5° | 109.5° |
| C21 | C20 | H4 | 109.5° | 109.5° |
| C20 | C21 | H6 | 111.9° | 112.9° |
| C22 | C21 | C24 | 88.2° | 87.1° |
| C21 | C22 | C23 | 88.5° | 87.1° |
| C22 | C21 | H6 | 111.8° | 113.6° |
| C21 | C22 | H28 | 114.4° | 113.6° |
| C21 | C22 | H29 | 114.5° | 113.6° |
| C21 | C24 | C23 | 88.2° | 87.1° |
| C24 | C21 | H6 | 111.9° | 113.7° |
| C21 | C24 | H14 | 114.5° | 113.6° |
| C21 | C24 | H15 | 114.5° | 113.6° |
| C22 | C23 | C24 | 89.1° | 87.1° |
| C23 | C22 | H28 | 114.4° | 113.7° |
| C23 | C22 | H29 | 114.4° | 113.6° |
| C22 | C23 | H30 | 114.3° | 113.6° |
| C22 | C23 | H31 | 114.3° | 113.5° |
| C12 | C11 | C10 | 120.7° | 119.1° |
| C11 | C12 | C13 | 119.5° | 118.9° |
| C12 | C11 | H12 | 119.7° | 120.4° |
| C11 | C10 | O2 | 123.9° | 119.9° |
| C11 | C10 | N5 | 116.5° | 120.2° |
| C10 | C11 | H12 | 119.6° | 120.5° |
| O1 | C2 | C3 | 124.6° | 120.5° |
| O1 | C2 | C1 | 116.6° | 120.4° |
| C12 | C13 | C14 | 120.2° | 119.8° |
| C12 | C13 | H11 | 119.9° | 120.1° |
| C23 | C24 | H14 | 114.5° | 113.6° |
| C23 | C24 | H15 | 114.5° | 113.8° |
| C24 | C23 | H30 | 114.3° | 113.7° |
| C24 | C23 | H31 | 114.3° | 113.6° |
| O2 | C10 | N5 | 119.6° | 120.0° |
| C10 | N5 | C14 | 122.2° | 121.2° |
| C10 | N5 | C8 | 118.8° | 119.4° |
| C3 | C2 | C1 | 118.8° | 119.1° |
| C2 | C3 | C4 | 119.3° | 118.3° |
| C2 | C3 | H5 | 120.4° | 120.8° |
| C2 | C1 | N1 | 123.3° | 121.0° |
| C2 | C1 | H1 | 118.4° | 119.5° |
| C13 | C14 | N5 | 120.9° | 120.9° |
| C13 | C14 | H10 | 119.6° | 119.6° |
| C14 | C13 | H11 | 119.9° | 120.1° |
| C3 | C4 | C6 | 121.0° | 120.5° |
| C3 | C4 | C5 | 117.9° | 119.0° |
| C4 | C3 | H5 | 120.4° | 120.9° |
| C1 | N1 | C5 | 117.1° | 121.9° |
| N1 | C1 | H1 | 118.3° | 119.5° |
| C14 | N5 | C8 | 118.9° | 119.4° |
| N5 | C14 | H10 | 119.5° | 119.6° |
| N5 | C8 | N4 | 108.4° | 109.5° |
| N5 | C8 | C9 | 111.4° | 109.5° |
| N5 | C8 | H13 | 108.1° | 109.5° |
| C6 | C7 | N4 | 105.3° | 106.0° |
| C7 | C6 | C4 | 130.3° | 126.9° |
| C7 | C6 | N2 | 108.0° | 106.2° |
| C6 | C7 | H18 | 127.3° | 127.0° |
| C7 | N4 | C8 | 127.5° | 125.7° |
| C7 | N4 | N3 | 111.0° | 108.6° |
| N4 | C7 | H18 | 127.3° | 127.0° |
| C6 | C4 | C5 | 121.1° | 120.5° |
| C4 | C6 | N2 | 121.7° | 126.9° |
| C4 | C5 | N1 | 123.6° | 120.7° |
| C4 | C5 | H2 | 118.2° | 119.6° |
| N1 | C5 | H2 | 118.2° | 119.6° |
| C6 | N2 | N3 | 109.8° | 108.8° |
| N4 | C8 | C9 | 113.0° | 109.5° |
| C8 | N4 | N3 | 121.5° | 125.7° |
| N4 | C8 | H13 | 108.3° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.4° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C9 | C8 | H13 | 107.4° | 109.5° |
| N4 | N3 | N2 | 105.9° | 110.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 112.9° |
| H16 | C15 | H17 | 109.5° | 109.7° |
| H19 | C16 | H20 | 109.5° | 109.6° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.7° |
| H28 | C22 | H29 | 109.5° | 112.9° |
| H30 | C23 | H31 | 109.5° | 112.9° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N6 | H16 | 119.3° | 119.8° |
| C16 | C15 | N6 | H17 | 119.3° | 119.8° |
| C15 | C16 | C17 | H19 | 120.3° | 120.0° |
| C15 | C16 | C17 | H20 | 120.3° | 119.9° |
| C15 | C16 | C17 | C18 | 45.1° | 61.4° |
| C16 | C15 | N6 | C19 | 74.6° | 53.6° |
| C16 | C15 | N6 | C12 | 91.6° | 126.4° |
| C16 | C15 | H16 | H17 | 122.0° | 120.4° |
| C15 | C16 | H19 | H20 | 119.1° | 120.1° |
| C15 | C16 | C17 | H21 | 165.6° | 178.6° |
| C15 | C16 | C17 | H22 | 75.5° | 58.6° |
| N6 | C15 | C16 | C17 | 61.4° | 54.6° |
| C15 | N6 | C19 | C12 | 166.2° | 180.0° |
| C15 | N6 | C19 | C18 | 67.2° | 53.6° |
| C15 | N6 | C12 | C11 | 3.3° | 173.5° |
| C15 | N6 | C12 | C13 | 173.8° | 6.5° |
| N6 | C15 | H16 | H17 | 122.1° | 120.3° |
| N6 | C15 | C16 | H19 | 58.9° | 65.3° |
| N6 | C15 | C16 | H20 | 178.3° | 174.6° |
| C15 | N6 | C19 | H24 | 52.6° | 66.2° |
| C15 | N6 | C19 | H25 | 172.9° | 173.4° |
| C16 | C17 | C18 | H21 | 120.5° | 120.0° |
| C16 | C17 | C18 | H22 | 120.5° | 120.0° |
| C16 | C17 | C18 | N7 | 160.9° | 178.7° |
| C16 | C17 | C18 | C19 | 37.8° | 61.4° |
| C17 | C16 | C15 | H16 | 57.9° | 174.4° |
| C17 | C16 | C15 | H17 | 179.3° | 65.1° |
| C17 | C16 | H19 | H20 | 119.1° | 120.1° |
| C16 | C17 | H21 | H22 | 118.4° | 119.9° |
| C16 | C17 | C18 | H23 | 81.0° | 58.6° |
| C17 | C18 | N7 | C19 | 126.1° | 119.9° |
| C17 | C18 | N7 | H23 | 117.5° | 120.0° |
| C17 | C18 | N7 | C20 | 73.1° | 85.0° |
| C17 | C18 | C19 | N6 | 47.7° | 54.6° |
| C17 | C18 | C19 | H23 | 118.9° | 119.9° |
| C18 | C17 | C16 | H19 | 75.3° | 58.6° |
| C18 | C17 | C16 | H20 | 165.3° | 178.7° |
| C18 | C17 | H21 | H22 | 118.4° | 120.0° |
| C17 | C18 | C19 | H24 | 72.1° | 65.2° |
| C17 | C18 | C19 | H25 | 167.5° | 174.4° |
| C17 | C18 | N7 | H26 | 47.4° | 39.0° |
| C18 | N7 | C20 | H26 | 120.5° | 123.9° |
| N7 | C18 | C19 | N6 | 171.8° | 174.6° |
| N7 | C18 | C19 | H23 | 117.0° | 120.1° |
| C18 | N7 | C20 | C21 | 177.5° | 180.0° |
| C18 | N7 | C20 | H3 | 57.5° | 60.0° |
| C18 | N7 | C20 | H4 | 62.6° | 60.0° |
| N7 | C18 | C17 | H21 | 78.5° | 58.6° |
| N7 | C18 | C17 | H22 | 40.4° | 61.4° |
| N7 | C18 | C19 | H24 | 52.0° | 54.8° |
| N7 | C18 | C19 | H25 | 68.4° | 65.6° |
| C20 | N7 | C18 | C19 | 160.8° | 155.2° |
| N7 | C20 | C21 | H3 | 119.9° | 120.0° |
| N7 | C20 | C21 | H4 | 120.0° | 120.0° |
| N7 | C20 | C21 | C22 | 174.6° | 175.0° |
| N7 | C20 | C21 | C24 | 84.4° | 87.5° |
| N7 | C20 | H3 | H4 | 120.1° | 120.0° |
| N7 | C20 | C21 | H6 | 44.9° | 43.8° |
| C20 | N7 | C18 | H23 | 44.4° | 35.0° |
| C25 | O1 | C2 | C3 | 8.1° | 180.0° |
| C25 | O1 | C2 | C1 | 170.3° | 0.3° |
| O1 | C25 | H32 | H33 | 120.0° | 120.1° |
| O1 | C25 | H32 | H34 | 120.0° | 120.0° |
| O1 | C25 | H33 | H34 | 120.0° | 120.0° |
| N6 | C19 | C18 | H24 | 119.8° | 119.8° |
| N6 | C19 | C18 | H25 | 119.8° | 119.8° |
| C19 | N6 | C12 | C11 | 167.4° | 6.5° |
| C19 | N6 | C12 | C13 | 9.6° | 173.5° |
| C19 | N6 | C15 | H16 | 44.6° | 173.4° |
| C19 | N6 | C15 | H17 | 166.0° | 66.2° |
| N6 | C19 | C18 | H23 | 71.2° | 65.3° |
| N6 | C19 | H24 | H25 | 120.5° | 120.3° |
| C12 | N6 | C19 | C18 | 98.9° | 126.4° |
| N6 | C12 | C11 | C13 | 177.1° | 180.0° |
| N6 | C12 | C11 | C10 | 178.7° | 180.0° |
| N6 | C12 | C13 | C14 | 177.4° | 180.0° |
| N6 | C12 | C13 | H11 | 2.6° | 0.0° |
| N6 | C12 | C11 | H12 | 1.3° | 0.0° |
| C12 | N6 | C15 | H16 | 149.2° | 6.6° |
| C12 | N6 | C15 | H17 | 27.8° | 113.8° |
| C12 | N6 | C19 | H24 | 141.2° | 113.8° |
| C12 | N6 | C19 | H25 | 20.9° | 6.6° |
| C19 | C18 | C17 | H21 | 158.3° | 178.6° |
| C19 | C18 | C17 | H22 | 82.8° | 58.6° |
| C18 | C19 | H24 | H25 | 120.6° | 120.4° |
| C19 | C18 | N7 | H26 | 78.7° | 80.9° |
| C20 | C21 | C22 | C24 | 117.3° | 114.5° |
| C20 | C21 | C22 | H6 | 129.8° | 130.8° |
| C20 | C21 | C24 | H6 | 129.3° | 130.9° |
| C20 | C21 | C22 | C23 | 135.7° | 140.0° |
| C20 | C21 | C24 | C23 | 136.1° | 140.0° |
| C21 | C20 | H3 | H4 | 120.1° | 120.0° |
| C20 | C21 | C24 | H14 | 107.7° | 105.5° |
| C20 | C21 | C24 | H15 | 19.9° | 25.3° |
| C21 | C20 | N7 | H26 | 62.0° | 56.1° |
| C20 | C21 | C22 | H28 | 19.4° | 25.4° |
| C20 | C21 | C22 | H29 | 108.0° | 105.5° |
| C22 | C21 | C24 | H6 | 112.8° | 114.6° |
| C21 | C22 | C23 | H28 | 116.2° | 114.5° |
| C21 | C22 | C23 | H29 | 116.3° | 114.5° |
| C22 | C21 | C24 | C23 | 18.2° | 25.5° |
| C22 | C21 | C20 | H3 | 65.4° | 55.0° |
| C22 | C21 | C20 | H4 | 54.7° | 65.0° |
| C22 | C21 | C24 | H14 | 134.3° | 140.0° |
| C22 | C21 | C24 | H15 | 98.0° | 89.2° |
| C21 | C22 | H28 | H29 | 130.0° | 131.2° |
| C21 | C22 | C23 | H30 | 134.7° | 89.2° |
| C21 | C22 | C23 | H31 | 98.0° | 140.0° |
| C21 | C24 | C23 | H14 | 116.2° | 114.5° |
| C21 | C24 | C23 | H15 | 116.2° | 114.5° |
| C24 | C21 | C20 | H3 | 35.6° | 152.5° |
| C24 | C21 | C20 | H4 | 155.7° | 32.5° |
| C21 | C24 | H14 | H15 | 130.2° | 131.2° |
| C24 | C21 | C22 | H28 | 97.9° | 89.1° |
| C24 | C21 | C22 | H29 | 134.6° | 140.0° |
| C21 | C24 | C23 | H30 | 134.9° | 89.1° |
| C21 | C24 | C23 | H31 | 98.0° | 139.9° |
| C22 | C23 | C24 | H30 | 116.4° | 114.6° |
| C22 | C23 | C24 | H31 | 116.4° | 114.5° |
| C23 | C22 | C21 | H6 | 94.5° | 89.2° |
| C22 | C23 | C24 | H14 | 134.7° | 140.0° |
| C22 | C23 | C24 | H15 | 97.8° | 89.1° |
| C23 | C22 | H28 | H29 | 130.0° | 131.3° |
| C22 | C23 | H30 | H31 | 129.7° | 131.2° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | O2 | 178.4° | 180.0° |
| C12 | C11 | C10 | N5 | 0.7° | 0.3° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H11 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 1.6° | 0.0° |
| C11 | C10 | O2 | N5 | 179.1° | 179.8° |
| C11 | C10 | N5 | C14 | 1.3° | 0.5° |
| C11 | C10 | N5 | C8 | 177.7° | 179.7° |
| O1 | C2 | C3 | C1 | 178.4° | 179.7° |
| O1 | C2 | C3 | C4 | 179.2° | 179.7° |
| O1 | C2 | C1 | N1 | 179.5° | 179.8° |
| O1 | C2 | C1 | H1 | 0.5° | 0.4° |
| O1 | C2 | C3 | H5 | 0.8° | 0.3° |
| C2 | O1 | C25 | H32 | 180.0° | 60.0° |
| C2 | O1 | C25 | H33 | 60.0° | 60.0° |
| C2 | O1 | C25 | H34 | 60.0° | 180.0° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | N5 | 1.6° | 0.2° |
| C12 | C13 | C14 | H10 | 178.4° | 179.9° |
| C13 | C12 | C11 | H12 | 178.4° | 180.0° |
| C23 | C24 | C21 | H6 | 94.6° | 89.1° |
| C23 | C24 | H14 | H15 | 130.1° | 131.4° |
| C24 | C23 | C22 | H28 | 97.9° | 89.1° |
| C24 | C23 | C22 | H29 | 134.7° | 140.0° |
| C24 | C23 | H30 | H31 | 129.6° | 131.3° |
| O2 | C10 | N5 | C14 | 179.5° | 179.7° |
| O2 | C10 | N5 | C8 | 3.1° | 0.1° |
| O2 | C10 | C11 | H12 | 1.6° | 0.0° |
| C10 | N5 | C14 | C13 | 2.5° | 0.5° |
| C10 | N5 | C14 | C8 | 176.4° | 179.7° |
| C10 | N5 | C8 | N4 | 100.7° | 60.3° |
| C10 | N5 | C8 | C9 | 134.3° | 59.7° |
| C10 | N5 | C14 | H10 | 177.5° | 179.7° |
| N5 | C10 | C11 | H12 | 179.3° | 179.7° |
| C10 | N5 | C8 | H13 | 16.5° | 179.7° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 1.0° | 0.1° |
| C2 | C3 | C4 | C6 | 178.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | H1 | 179.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | N1 | H1 | 180.0° | 179.9° |
| C2 | C1 | N1 | C5 | 0.6° | 0.1° |
| C1 | C2 | C3 | H5 | 179.2° | 180.0° |
| C13 | C14 | N5 | H10 | 180.0° | 179.8° |
| C13 | C14 | N5 | C8 | 178.9° | 179.7° |
| C3 | C4 | C6 | C7 | 7.0° | 175.3° |
| C3 | C4 | C6 | C5 | 177.2° | 179.9° |
| C3 | C4 | C5 | N1 | 2.5° | 0.1° |
| C3 | C4 | C6 | N2 | 171.2° | 5.0° |
| C3 | C4 | C5 | H2 | 177.5° | 180.0° |
| C1 | N1 | C5 | C4 | 2.4° | 0.0° |
| C1 | N1 | C5 | H2 | 177.7° | 179.9° |
| C14 | N5 | C8 | N4 | 82.7° | 120.0° |
| C14 | N5 | C8 | C9 | 42.2° | 120.0° |
| N5 | C14 | C13 | H11 | 178.4° | 179.8° |
| C14 | N5 | C8 | H13 | 160.0° | 0.0° |
| N5 | C8 | N4 | C7 | 50.3° | 155.3° |
| N5 | C8 | N4 | C9 | 124.0° | 120.0° |
| N5 | C8 | N4 | H13 | 117.1° | 120.0° |
| N5 | C8 | C9 | H13 | 118.3° | 120.0° |
| N5 | C8 | N4 | N3 | 132.8° | 25.0° |
| N5 | C8 | C9 | H7 | 180.0° | 179.9° |
| N5 | C8 | C9 | H8 | 60.0° | 60.0° |
| N5 | C8 | C9 | H9 | 60.0° | 60.1° |
| C8 | N5 | C14 | H10 | 1.1° | 0.1° |
| C6 | C7 | N4 | H18 | 180.0° | 179.9° |
| C7 | C6 | C4 | N2 | 178.2° | 179.7° |
| C7 | C6 | C4 | C5 | 175.7° | 4.8° |
| C6 | C7 | N4 | C8 | 178.4° | 179.8° |
| C6 | C7 | N4 | N3 | 1.1° | 0.4° |
| C7 | C6 | N2 | N3 | 0.7° | 0.3° |
| N4 | C7 | C6 | C4 | 179.6° | 179.9° |
| N4 | C7 | C6 | N2 | 1.1° | 0.4° |
| C7 | N4 | C8 | N3 | 176.9° | 179.8° |
| C7 | N4 | C8 | C9 | 174.3° | 84.7° |
| C7 | N4 | N3 | N2 | 0.7° | 0.2° |
| C7 | N4 | C8 | H13 | 66.8° | 35.2° |
| C6 | C4 | C5 | N1 | 179.8° | 180.0° |
| C4 | C6 | N2 | N3 | 179.3° | 180.0° |
| C6 | C4 | C5 | H2 | 0.2° | 0.1° |
| C6 | C4 | C3 | H5 | 1.8° | 0.0° |
| C4 | C6 | C7 | H18 | 0.4° | 0.0° |
| C4 | C5 | N1 | H2 | 180.0° | 179.9° |
| C5 | C4 | C6 | N2 | 6.0° | 174.9° |
| C5 | C4 | C3 | H5 | 179.2° | 180.0° |
| C5 | N1 | C1 | H1 | 179.4° | 179.9° |
| C6 | N2 | N3 | N4 | 0.0° | 0.0° |
| N2 | C6 | C7 | H18 | 178.8° | 179.7° |
| N4 | C8 | C9 | H13 | 119.4° | 120.0° |
| C8 | N4 | N3 | N2 | 178.1° | 179.9° |
| N4 | C8 | C9 | H7 | 57.7° | 60.0° |
| N4 | C8 | C9 | H8 | 177.7° | 180.0° |
| N4 | C8 | C9 | H9 | 62.3° | 60.0° |
| C8 | N4 | C7 | H18 | 1.6° | 0.1° |
| C9 | C8 | N4 | N3 | 8.7° | 95.1° |
| C8 | C9 | H7 | H8 | 120.0° | 120.0° |
| C8 | C9 | H7 | H9 | 120.0° | 120.0° |
| C8 | C9 | H8 | H9 | 120.0° | 120.0° |
| N3 | N4 | C8 | H13 | 110.1° | 145.0° |
| N3 | N4 | C7 | H18 | 178.8° | 179.7° |
| H3 | C20 | C21 | H6 | 164.8° | 76.2° |
| H3 | C20 | N7 | H26 | 178.0° | 63.9° |
| H4 | C20 | C21 | H6 | 75.1° | 163.8° |
| H4 | C20 | N7 | H26 | 57.9° | 176.1° |
| H6 | C21 | C24 | H14 | 21.5° | 25.4° |
| H6 | C21 | C24 | H15 | 149.2° | 156.2° |
| H6 | C21 | C22 | H28 | 149.2° | 156.2° |
| H6 | C21 | C22 | H29 | 21.7° | 25.4° |
| H7 | C9 | H8 | H9 | 120.0° | 120.0° |
| H7 | C9 | C8 | H13 | 61.8° | 60.0° |
| H8 | C9 | C8 | H13 | 58.3° | 60.0° |
| H9 | C9 | C8 | H13 | 178.2° | 179.9° |
| H10 | C14 | C13 | H11 | 1.6° | 0.1° |
| H14 | C24 | C23 | H30 | 108.9° | 25.4° |
| H14 | C24 | C23 | H31 | 18.3° | 105.5° |
| H15 | C24 | C23 | H30 | 18.7° | 156.3° |
| H15 | C24 | C23 | H31 | 145.8° | 25.4° |
| H16 | C15 | C16 | H19 | 178.2° | 54.5° |
| H16 | C15 | C16 | H20 | 62.3° | 65.6° |
| H17 | C15 | C16 | H19 | 60.4° | 174.9° |
| H17 | C15 | C16 | H20 | 59.0° | 54.8° |
| H19 | C16 | C17 | H21 | 45.3° | 61.5° |
| H19 | C16 | C17 | H22 | 164.2° | 178.6° |
| H20 | C16 | C17 | H21 | 74.1° | 58.7° |
| H20 | C16 | C17 | H22 | 44.8° | 61.3° |
| H21 | C17 | C18 | H23 | 39.5° | 61.4° |
| H22 | C17 | C18 | H23 | 158.5° | 178.6° |
| H23 | C18 | C19 | H24 | 169.0° | 174.9° |
| H23 | C18 | C19 | H25 | 48.6° | 54.5° |
| H23 | C18 | N7 | H26 | 164.9° | 159.0° |
| H28 | C22 | C23 | H30 | 18.5° | 156.3° |
| H28 | C22 | C23 | H31 | 145.7° | 25.5° |
| H29 | C22 | C23 | H30 | 109.0° | 25.4° |
| H29 | C22 | C23 | H31 | 18.2° | 105.5° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
