AJT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.55Å | 1.51Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C22 | N6 | sing | 1.49Å | 1.47Å | |
| C20 | C19 | sing | 1.54Å | 1.54Å | |
| N6 | C19 | sing | 1.48Å | 1.47Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | O1 | doub | 1.21Å | 1.23Å | |
| C18 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C17 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | C23 | sing | 1.53Å | 1.52Å | |
| C15 | N4 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N4 | C24 | sing | 1.47Å | 1.47Å | |
| N4 | C14 | sing | 1.35Å | 1.36Å | |
| O2 | C14 | doub | 1.22Å | 1.22Å | |
| C14 | N3 | sing | 1.35Å | 1.36Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C1 | sing | 1.54Å | 1.54Å | |
| O | C | doub | 1.22Å | 1.23Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.39Å | 1.40Å | |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C | C10 | sing | 1.48Å | 1.50Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| N6 | H31 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 103.7° | 102.9° |
| C21 | C22 | N6 | 103.7° | 103.2° |
| C22 | C21 | H11 | 110.9° | 110.7° |
| C22 | C21 | H12 | 110.9° | 110.7° |
| C21 | C22 | H13 | 110.9° | 110.7° |
| C21 | C22 | H14 | 110.9° | 110.7° |
| C21 | C20 | C19 | 104.7° | 105.1° |
| C21 | C20 | H9 | 110.7° | 110.3° |
| C21 | C20 | H10 | 110.6° | 110.4° |
| C20 | C21 | H11 | 110.9° | 110.8° |
| C20 | C21 | H12 | 110.9° | 110.7° |
| C22 | N6 | C19 | 107.4° | 105.8° |
| N6 | C22 | H13 | 110.9° | 110.7° |
| N6 | C22 | H14 | 110.9° | 110.7° |
| C22 | N6 | H31 | 110.0° | 111.0° |
| C20 | C19 | N6 | 106.4° | 107.0° |
| C20 | C19 | C18 | 111.0° | 109.9° |
| C19 | C20 | H9 | 110.6° | 110.3° |
| C19 | C20 | H10 | 110.6° | 110.3° |
| C20 | C19 | H23 | 108.9° | 110.0° |
| N6 | C19 | C18 | 111.7° | 109.9° |
| N6 | C19 | H23 | 109.8° | 110.1° |
| C19 | N6 | H31 | 110.0° | 111.1° |
| C19 | C18 | O1 | 120.6° | 120.0° |
| C19 | C18 | N5 | 116.2° | 120.0° |
| C18 | C19 | H23 | 109.0° | 109.9° |
| O1 | C18 | N5 | 123.2° | 120.0° |
| C18 | N5 | C17 | 123.4° | 120.0° |
| C18 | N5 | H30 | 118.3° | 120.0° |
| N5 | C17 | C16 | 110.3° | 109.4° |
| N5 | C17 | C23 | 110.1° | 109.5° |
| N5 | C17 | H8 | 109.0° | 109.5° |
| C17 | N5 | H30 | 118.3° | 120.0° |
| C17 | C16 | C15 | 110.7° | 109.3° |
| C16 | C17 | C23 | 110.8° | 109.5° |
| C16 | C17 | H8 | 108.3° | 109.5° |
| C17 | C16 | H21 | 109.2° | 109.5° |
| C17 | C16 | H22 | 109.2° | 109.5° |
| C16 | C15 | N4 | 110.8° | 108.8° |
| C16 | C15 | H6 | 109.2° | 109.6° |
| C16 | C15 | H7 | 109.1° | 109.7° |
| C15 | C16 | H21 | 109.1° | 109.5° |
| C15 | C16 | H22 | 109.2° | 109.5° |
| C17 | C23 | C24 | 110.8° | 109.3° |
| C23 | C17 | H8 | 108.3° | 109.5° |
| C17 | C23 | H26 | 109.1° | 109.5° |
| C17 | C23 | H27 | 109.1° | 109.5° |
| C15 | N4 | C24 | 112.1° | 118.7° |
| C15 | N4 | C14 | 121.7° | 120.6° |
| N4 | C15 | H6 | 109.1° | 109.6° |
| N4 | C15 | H7 | 109.2° | 109.7° |
| C23 | C24 | N4 | 110.7° | 108.7° |
| C23 | C24 | H15 | 109.2° | 109.6° |
| C23 | C24 | H16 | 109.1° | 109.6° |
| C24 | C23 | H26 | 109.1° | 109.5° |
| C24 | C23 | H27 | 109.2° | 109.5° |
| C24 | N4 | C14 | 121.9° | 120.6° |
| N4 | C24 | H15 | 109.2° | 109.7° |
| N4 | C24 | H16 | 109.2° | 109.7° |
| N4 | C14 | O2 | 121.2° | 120.0° |
| N4 | C14 | N3 | 115.9° | 120.0° |
| O2 | C14 | N3 | 122.9° | 120.0° |
| C14 | N3 | C13 | 130.1° | 120.0° |
| C14 | N3 | H1 | 114.9° | 120.0° |
| C8 | C9 | C1 | 102.9° | 105.2° |
| C9 | C8 | C7 | 129.8° | 130.4° |
| C9 | C8 | C3 | 110.6° | 109.7° |
| C8 | C9 | H28 | 111.1° | 110.3° |
| C8 | C9 | H29 | 111.1° | 110.3° |
| C9 | C1 | N | 111.9° | 110.8° |
| C9 | C1 | C2 | 104.9° | 102.4° |
| C9 | C1 | H18 | 109.1° | 110.9° |
| C1 | C9 | H28 | 111.1° | 110.3° |
| C1 | C9 | H29 | 111.1° | 110.3° |
| O | C | N | 123.0° | 119.9° |
| O | C | C10 | 121.7° | 120.0° |
| C8 | C7 | C6 | 120.0° | 120.2° |
| C7 | C8 | C3 | 119.7° | 119.9° |
| C8 | C7 | H5 | 120.0° | 119.9° |
| C7 | C6 | C5 | 120.2° | 119.9° |
| C7 | C6 | H4 | 119.9° | 120.0° |
| C6 | C7 | H5 | 120.0° | 119.9° |
| N3 | C13 | C10 | 121.8° | 120.2° |
| N3 | C13 | N2 | 116.4° | 120.1° |
| C13 | N3 | H1 | 115.0° | 120.0° |
| C8 | C3 | C2 | 110.2° | 109.8° |
| C8 | C3 | C4 | 120.1° | 119.8° |
| N | C1 | C2 | 111.7° | 110.8° |
| C1 | N | C | 122.5° | 120.0° |
| C1 | N | H17 | 118.8° | 120.0° |
| N | C1 | H18 | 110.1° | 110.8° |
| C1 | C2 | C3 | 102.9° | 105.2° |
| C2 | C1 | H18 | 109.1° | 110.8° |
| C1 | C2 | H24 | 111.1° | 110.3° |
| C1 | C2 | H25 | 111.1° | 110.3° |
| N | C | C10 | 115.3° | 120.0° |
| C | N | H17 | 118.7° | 120.0° |
| C | C10 | C13 | 123.3° | 120.1° |
| C | C10 | N1 | 115.0° | 120.2° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C6 | C5 | H3 | 120.0° | 120.0° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C10 | C13 | N2 | 121.8° | 119.7° |
| C13 | C10 | N1 | 121.6° | 119.7° |
| C13 | N2 | C12 | 116.0° | 120.0° |
| C10 | N1 | C11 | 116.1° | 120.0° |
| C2 | C3 | C4 | 129.7° | 130.4° |
| C3 | C2 | H24 | 111.1° | 110.3° |
| C3 | C2 | H25 | 111.1° | 110.4° |
| C3 | C4 | C5 | 120.0° | 120.2° |
| C3 | C4 | H2 | 120.0° | 119.9° |
| N2 | C12 | C11 | 122.2° | 120.3° |
| N2 | C12 | H20 | 118.9° | 119.8° |
| C5 | C4 | H2 | 120.1° | 119.9° |
| C4 | C5 | H3 | 120.0° | 120.1° |
| N1 | C11 | C12 | 122.2° | 120.3° |
| N1 | C11 | H19 | 118.9° | 119.8° |
| C12 | C11 | H19 | 118.9° | 119.9° |
| C11 | C12 | H20 | 118.9° | 119.9° |
| H6 | C15 | H7 | 109.5° | 109.6° |
| H9 | C20 | H10 | 109.5° | 110.3° |
| H11 | C21 | H12 | 109.5° | 110.8° |
| H13 | C22 | H14 | 109.5° | 110.7° |
| H15 | C24 | H16 | 109.4° | 109.6° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H24 | C2 | H25 | 109.5° | 110.3° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H28 | C9 | H29 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H11 | 119.1° | 118.4° |
| C22 | C21 | C20 | H12 | 119.1° | 118.3° |
| C21 | C22 | N6 | H13 | 119.1° | 118.4° |
| C21 | C22 | N6 | H14 | 119.1° | 118.5° |
| C22 | C21 | C20 | C19 | 27.0° | 22.0° |
| C21 | C22 | N6 | C19 | 34.0° | 39.3° |
| C22 | C21 | C20 | H9 | 92.3° | 96.9° |
| C22 | C21 | C20 | H10 | 146.2° | 140.9° |
| C22 | C21 | H11 | H12 | 122.7° | 123.2° |
| C21 | C22 | H13 | H14 | 122.6° | 123.1° |
| C21 | C22 | N6 | H31 | 85.7° | 81.3° |
| C20 | C21 | C22 | N6 | 37.5° | 37.5° |
| C21 | C20 | C19 | H9 | 119.3° | 118.9° |
| C21 | C20 | C19 | H10 | 119.2° | 119.0° |
| C21 | C20 | C19 | N6 | 6.8° | 1.2° |
| C21 | C20 | C19 | C18 | 114.9° | 120.5° |
| C21 | C20 | H9 | H10 | 122.2° | 122.2° |
| C20 | C21 | H11 | H12 | 122.7° | 123.3° |
| C20 | C21 | C22 | H13 | 156.6° | 155.9° |
| C20 | C21 | C22 | H14 | 81.6° | 81.0° |
| C21 | C20 | C19 | H23 | 125.1° | 118.4° |
| C22 | N6 | C19 | C20 | 16.9° | 25.4° |
| C22 | N6 | C19 | H31 | 119.7° | 120.6° |
| C22 | N6 | C19 | C18 | 138.2° | 144.7° |
| N6 | C22 | C21 | H11 | 156.5° | 80.9° |
| N6 | C22 | C21 | H12 | 81.6° | 155.8° |
| N6 | C22 | H13 | H14 | 122.7° | 123.1° |
| C22 | N6 | C19 | H23 | 100.8° | 94.1° |
| C20 | C19 | N6 | C18 | 121.3° | 119.3° |
| C20 | C19 | N6 | H23 | 117.7° | 119.5° |
| C20 | C19 | C18 | H23 | 119.9° | 121.1° |
| C20 | C19 | C18 | O1 | 139.9° | 100.0° |
| C20 | C19 | C18 | N5 | 40.6° | 80.0° |
| C19 | C20 | H9 | H10 | 122.2° | 122.0° |
| C19 | C20 | C21 | H11 | 146.0° | 96.4° |
| C19 | C20 | C21 | H12 | 92.1° | 140.3° |
| C20 | C19 | N6 | H31 | 102.8° | 95.2° |
| N6 | C19 | C18 | H23 | 121.5° | 121.3° |
| N6 | C19 | C18 | O1 | 21.3° | 17.6° |
| N6 | C19 | C18 | N5 | 159.2° | 162.4° |
| N6 | C19 | C20 | H9 | 112.5° | 120.2° |
| N6 | C19 | C20 | H10 | 126.1° | 117.7° |
| C19 | N6 | C22 | H13 | 153.1° | 157.7° |
| C19 | N6 | C22 | H14 | 85.1° | 79.2° |
| C19 | C18 | O1 | N5 | 179.4° | 180.0° |
| C19 | C18 | N5 | C17 | 174.2° | 180.0° |
| C18 | C19 | C20 | H9 | 125.8° | 120.5° |
| C18 | C19 | C20 | H10 | 4.3° | 1.5° |
| C19 | C18 | N5 | H30 | 5.8° | 0.0° |
| C18 | C19 | N6 | H31 | 18.5° | 24.1° |
| O1 | C18 | N5 | C17 | 5.2° | 0.0° |
| O1 | C18 | C19 | H23 | 100.2° | 138.9° |
| O1 | C18 | N5 | H30 | 174.8° | 180.0° |
| C18 | N5 | C17 | H30 | 180.0° | 180.0° |
| C18 | N5 | C17 | C16 | 159.4° | 85.0° |
| C18 | N5 | C17 | C23 | 78.1° | 155.0° |
| C18 | N5 | C17 | H8 | 40.6° | 35.0° |
| N5 | C18 | C19 | H23 | 79.3° | 41.1° |
| N5 | C17 | C16 | C23 | 122.1° | 120.0° |
| N5 | C17 | C16 | H8 | 119.3° | 120.0° |
| N5 | C17 | C16 | C15 | 175.8° | 178.6° |
| N5 | C17 | C23 | H8 | 119.1° | 120.0° |
| N5 | C17 | C23 | C24 | 176.0° | 178.6° |
| N5 | C17 | C16 | H21 | 55.6° | 58.7° |
| N5 | C17 | C16 | H22 | 64.0° | 61.4° |
| N5 | C17 | C23 | H26 | 63.8° | 58.7° |
| N5 | C17 | C23 | H27 | 55.8° | 61.4° |
| C17 | C16 | C15 | H21 | 120.2° | 120.0° |
| C17 | C16 | C15 | H22 | 120.2° | 120.0° |
| C16 | C17 | C23 | H8 | 118.7° | 120.0° |
| C17 | C16 | C15 | N4 | 55.7° | 54.7° |
| C16 | C17 | C23 | C24 | 53.8° | 61.4° |
| C17 | C16 | C15 | H6 | 175.9° | 174.5° |
| C17 | C16 | C15 | H7 | 64.5° | 65.2° |
| C17 | C16 | H21 | H22 | 119.4° | 120.1° |
| C16 | C17 | C23 | H26 | 174.0° | 178.6° |
| C16 | C17 | C23 | H27 | 66.4° | 58.6° |
| C16 | C17 | N5 | H30 | 20.6° | 95.0° |
| C15 | C16 | C17 | C23 | 53.7° | 61.4° |
| C16 | C15 | N4 | H6 | 120.2° | 119.8° |
| C16 | C15 | N4 | H7 | 120.2° | 119.9° |
| C16 | C15 | N4 | C24 | 58.7° | 53.7° |
| C16 | C15 | N4 | C14 | 98.5° | 126.4° |
| C16 | C15 | H6 | H7 | 119.4° | 120.4° |
| C15 | C16 | C17 | H8 | 65.0° | 58.6° |
| C15 | C16 | H21 | H22 | 119.4° | 120.0° |
| C17 | C23 | C24 | H26 | 120.2° | 120.0° |
| C17 | C23 | C24 | H27 | 120.2° | 120.0° |
| C17 | C23 | C24 | N4 | 55.8° | 54.7° |
| C17 | C23 | C24 | H15 | 64.4° | 65.2° |
| C17 | C23 | C24 | H16 | 176.0° | 174.6° |
| C23 | C17 | C16 | H21 | 66.5° | 178.7° |
| C23 | C17 | C16 | H22 | 173.9° | 58.6° |
| C17 | C23 | H26 | H27 | 119.4° | 120.1° |
| C23 | C17 | N5 | H30 | 101.8° | 25.0° |
| C15 | N4 | C24 | C23 | 58.7° | 53.7° |
| C15 | N4 | C24 | C14 | 157.2° | 179.9° |
| C15 | N4 | C14 | O2 | 18.0° | 5.4° |
| C15 | N4 | C14 | N3 | 161.9° | 174.6° |
| N4 | C15 | H6 | H7 | 119.4° | 120.4° |
| C15 | N4 | C24 | H15 | 61.5° | 66.1° |
| C15 | N4 | C24 | H16 | 178.9° | 173.5° |
| N4 | C15 | C16 | H21 | 64.5° | 174.7° |
| N4 | C15 | C16 | H22 | 175.9° | 65.3° |
| C23 | C24 | N4 | H15 | 120.2° | 119.8° |
| C23 | C24 | N4 | H16 | 120.2° | 119.8° |
| C23 | C24 | N4 | C14 | 98.4° | 126.4° |
| C24 | C23 | C17 | H8 | 64.9° | 58.6° |
| C23 | C24 | H15 | H16 | 119.4° | 120.3° |
| C24 | C23 | H26 | H27 | 119.4° | 120.1° |
| C24 | N4 | C14 | O2 | 173.0° | 174.7° |
| C24 | N4 | C14 | N3 | 6.9° | 5.3° |
| C24 | N4 | C15 | H6 | 178.9° | 173.4° |
| C24 | N4 | C15 | H7 | 61.5° | 66.2° |
| N4 | C24 | H15 | H16 | 119.5° | 120.4° |
| N4 | C24 | C23 | H26 | 176.0° | 174.6° |
| N4 | C24 | C23 | H27 | 64.4° | 65.3° |
| N4 | C14 | O2 | N3 | 179.9° | 180.0° |
| N4 | C14 | N3 | C13 | 179.1° | 175.0° |
| N4 | C14 | N3 | H1 | 0.8° | 5.0° |
| C14 | N4 | C15 | H6 | 21.7° | 6.7° |
| C14 | N4 | C15 | H7 | 141.3° | 113.7° |
| C14 | N4 | C24 | H15 | 141.4° | 113.8° |
| C14 | N4 | C24 | H16 | 21.7° | 6.6° |
| O2 | C14 | N3 | C13 | 0.9° | 5.0° |
| O2 | C14 | N3 | H1 | 179.1° | 175.0° |
| C14 | N3 | C13 | H1 | 180.0° | 180.0° |
| C14 | N3 | C13 | C10 | 144.4° | 174.7° |
| C14 | N3 | C13 | N2 | 37.1° | 5.3° |
| C8 | C9 | C1 | H28 | 118.9° | 118.9° |
| C8 | C9 | C1 | H29 | 118.9° | 118.9° |
| C9 | C8 | C7 | C3 | 179.3° | 179.8° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C8 | C9 | C1 | N | 93.5° | 144.5° |
| C8 | C9 | C1 | C2 | 27.8° | 26.2° |
| C9 | C8 | C3 | C2 | 0.3° | 0.2° |
| C9 | C8 | C3 | C4 | 179.3° | 179.7° |
| C9 | C8 | C7 | H5 | 0.8° | 0.2° |
| C8 | C9 | C1 | H18 | 144.5° | 92.1° |
| C8 | C9 | H28 | H29 | 123.1° | 122.1° |
| C1 | C9 | C8 | C7 | 161.9° | 162.8° |
| C1 | C9 | C8 | C3 | 17.5° | 17.0° |
| C9 | C1 | N | C2 | 117.3° | 113.0° |
| C9 | C1 | N | H18 | 121.4° | 123.6° |
| C9 | C1 | C2 | H18 | 116.7° | 118.4° |
| C9 | C1 | N | C | 82.8° | 92.0° |
| C9 | C1 | C2 | C3 | 28.0° | 26.3° |
| C9 | C1 | N | H17 | 97.2° | 88.0° |
| C9 | C1 | C2 | H24 | 146.9° | 92.6° |
| C9 | C1 | C2 | H25 | 91.0° | 145.3° |
| C1 | C9 | H28 | H29 | 123.0° | 122.1° |
| O | C | N | C1 | 4.1° | 0.0° |
| O | C | N | C10 | 179.3° | 180.0° |
| O | C | C10 | C13 | 10.7° | 5.4° |
| O | C | C10 | N1 | 168.6° | 174.5° |
| O | C | N | H17 | 175.9° | 180.0° |
| C8 | C7 | C6 | H5 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C8 | C3 | C2 | 179.7° | 180.0° |
| C7 | C8 | C3 | C4 | 0.1° | 0.5° |
| C8 | C7 | C6 | H4 | 179.9° | 180.0° |
| C7 | C8 | C9 | H28 | 42.9° | 78.2° |
| C7 | C8 | C9 | H29 | 79.2° | 43.9° |
| C6 | C7 | C8 | C3 | 0.1° | 0.2° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C7 | C6 | C5 | H3 | 179.9° | 179.9° |
| N3 | C13 | C10 | C | 2.9° | 0.0° |
| N3 | C13 | C10 | N2 | 178.4° | 180.0° |
| N3 | C13 | C10 | N1 | 177.8° | 180.0° |
| N3 | C13 | N2 | C12 | 178.0° | 180.0° |
| C8 | C3 | C2 | C1 | 17.9° | 17.3° |
| C8 | C3 | C2 | C4 | 179.6° | 179.4° |
| C8 | C3 | C4 | C5 | 0.0° | 0.5° |
| C8 | C3 | C4 | H2 | 180.0° | 179.8° |
| C3 | C8 | C7 | H5 | 179.9° | 180.0° |
| C8 | C3 | C2 | H24 | 136.9° | 101.6° |
| C8 | C3 | C2 | H25 | 101.0° | 136.2° |
| C3 | C8 | C9 | H28 | 136.4° | 102.0° |
| C3 | C8 | C9 | H29 | 101.4° | 136.0° |
| N | C1 | C2 | H18 | 121.9° | 123.4° |
| C1 | N | C | H17 | 180.0° | 180.0° |
| C1 | N | C | C10 | 175.2° | 180.0° |
| N | C1 | C2 | C3 | 93.4° | 144.6° |
| N | C1 | C2 | H24 | 25.5° | 25.7° |
| N | C1 | C2 | H25 | 147.6° | 96.4° |
| N | C1 | C9 | H28 | 25.4° | 25.5° |
| N | C1 | C9 | H29 | 147.6° | 96.6° |
| C2 | C1 | N | C | 159.9° | 155.0° |
| C1 | C2 | C3 | H24 | 118.9° | 118.9° |
| C1 | C2 | C3 | H25 | 119.0° | 118.9° |
| C1 | C2 | C3 | C4 | 161.6° | 163.3° |
| C2 | C1 | N | H17 | 20.1° | 25.0° |
| C1 | C2 | H24 | H25 | 123.1° | 122.1° |
| C2 | C1 | C9 | H28 | 146.8° | 92.7° |
| C2 | C1 | C9 | H29 | 91.1° | 145.2° |
| N | C | C10 | C13 | 170.0° | 174.6° |
| N | C | C10 | N1 | 10.7° | 5.4° |
| C | N | C1 | H18 | 38.6° | 31.6° |
| C | C10 | C13 | N1 | 179.3° | 180.0° |
| C | C10 | C13 | N2 | 178.7° | 180.0° |
| C | C10 | N1 | C11 | 179.0° | 180.0° |
| C10 | C | N | H17 | 4.8° | 0.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.4° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C5 | C6 | C7 | H5 | 179.9° | 179.8° |
| C10 | C13 | N2 | C12 | 0.5° | 0.0° |
| C13 | C10 | N1 | C11 | 0.3° | 0.0° |
| C10 | C13 | N3 | H1 | 35.6° | 5.3° |
| N2 | C13 | C10 | N1 | 0.6° | 0.0° |
| C13 | N2 | C12 | C11 | 0.1° | 0.0° |
| N2 | C13 | N3 | H1 | 142.9° | 174.7° |
| C13 | N2 | C12 | H20 | 179.8° | 180.0° |
| C10 | N1 | C11 | C12 | 0.0° | 0.1° |
| C10 | N1 | C11 | H19 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.5° | 179.9° |
| C2 | C3 | C4 | H2 | 0.5° | 0.5° |
| C3 | C2 | C1 | H18 | 144.7° | 92.0° |
| C3 | C2 | H24 | H25 | 123.0° | 122.2° |
| C3 | C4 | C5 | H2 | 180.0° | 179.6° |
| C3 | C4 | C5 | H3 | 179.9° | 179.8° |
| C4 | C3 | C2 | H24 | 42.7° | 77.8° |
| C4 | C3 | C2 | H25 | 79.4° | 44.4° |
| N2 | C12 | C11 | N1 | 0.1° | 0.1° |
| N2 | C12 | C11 | H20 | 180.0° | 179.9° |
| N2 | C12 | C11 | H19 | 179.9° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| N1 | C11 | C12 | H19 | 180.0° | 179.9° |
| N1 | C11 | C12 | H20 | 179.9° | 180.0° |
| H2 | C4 | C5 | H3 | 0.1° | 0.2° |
| H3 | C5 | C6 | H4 | 0.1° | 0.1° |
| H4 | C6 | C7 | H5 | 0.1° | 0.2° |
| H6 | C15 | C16 | H21 | 55.7° | 65.6° |
| H6 | C15 | C16 | H22 | 63.9° | 54.4° |
| H7 | C15 | C16 | H21 | 175.3° | 54.7° |
| H7 | C15 | C16 | H22 | 55.7° | 174.8° |
| H8 | C17 | C16 | H21 | 174.8° | 61.3° |
| H8 | C17 | C16 | H22 | 55.2° | 178.6° |
| H8 | C17 | C23 | H26 | 55.3° | 61.4° |
| H8 | C17 | C23 | H27 | 174.9° | 178.6° |
| H8 | C17 | N5 | H30 | 139.5° | 145.0° |
| H9 | C20 | C21 | H11 | 26.8° | 144.7° |
| H9 | C20 | C21 | H12 | 148.7° | 21.4° |
| H9 | C20 | C19 | H23 | 5.8° | 0.6° |
| H10 | C20 | C21 | H11 | 94.8° | 22.5° |
| H10 | C20 | C21 | H12 | 27.1° | 100.8° |
| H10 | C20 | C19 | H23 | 115.7° | 122.7° |
| H11 | C21 | C22 | H13 | 84.4° | 37.5° |
| H11 | C21 | C22 | H14 | 37.4° | 160.6° |
| H12 | C21 | C22 | H13 | 37.5° | 85.8° |
| H12 | C21 | C22 | H14 | 159.3° | 37.4° |
| H13 | C22 | N6 | H31 | 33.4° | 37.1° |
| H14 | C22 | N6 | H31 | 155.2° | 160.2° |
| H15 | C24 | C23 | H26 | 55.8° | 54.8° |
| H15 | C24 | C23 | H27 | 175.4° | 174.8° |
| H16 | C24 | C23 | H26 | 63.8° | 65.5° |
| H16 | C24 | C23 | H27 | 55.8° | 54.6° |
| H17 | N | C1 | H18 | 141.4° | 148.4° |
| H18 | C1 | C2 | H24 | 96.4° | 149.0° |
| H18 | C1 | C2 | H25 | 25.7° | 27.0° |
| H18 | C1 | C9 | H28 | 96.5° | 149.0° |
| H18 | C1 | C9 | H29 | 25.6° | 26.9° |
| H19 | C11 | C12 | H20 | 0.1° | 0.1° |
| H23 | C19 | N6 | H31 | 139.5° | 145.3° |
