A1IC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.38Å | 1.32Å | |
| C1 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C3 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | O1 | sing | 1.44Å | 1.42Å | |
| O1 | C7 | sing | 1.44Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C9 | sing | 1.47Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C11 | N7 | sing | 1.47Å | 1.48Å | |
| N7 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| N6 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | N8 | sing | 1.47Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | O2 | doub | 1.21Å | 1.24Å | |
| C23 | O3 | sing | 1.34Å | 1.26Å | |
| C7 | C24 | sing | 1.54Å | 1.54Å | |
| C24 | O4 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C25 | O5 | sing | 1.43Å | 1.41Å | |
| C1 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C25 | sing | 1.54Å | 1.53Å | |
| C3 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| N7 | H15 | sing | 1.01Å | 1.00Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| N8 | H30 | sing | 1.01Å | 1.00Å | |
| N8 | H31 | sing | 1.01Å | 1.00Å | |
| O3 | H39 | sing | 0.97Å | 0.95Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| O4 | H34 | sing | 0.97Å | 0.95Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 119.6° | 120.8° |
| N1 | C1 | C4 | 123.1° | 120.8° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.4° | 120.0° |
| C1 | N2 | C2 | 118.3° | 121.2° |
| N2 | C1 | C4 | 117.2° | 118.4° |
| N2 | C2 | N3 | 129.5° | 122.5° |
| N2 | C2 | H3 | 115.3° | 118.8° |
| C2 | N3 | C3 | 110.4° | 120.6° |
| N3 | C2 | H3 | 115.3° | 118.7° |
| N3 | C3 | C4 | 127.4° | 119.1° |
| N3 | C3 | N5 | 126.7° | 134.9° |
| C3 | C4 | N4 | 110.7° | 107.1° |
| C3 | C4 | C1 | 117.2° | 118.2° |
| C4 | C3 | N5 | 105.9° | 106.0° |
| C4 | N4 | C5 | 103.9° | 109.4° |
| N4 | C4 | C1 | 132.1° | 134.7° |
| N4 | C5 | N5 | 113.5° | 110.0° |
| N4 | C5 | H4 | 123.2° | 125.0° |
| C5 | N5 | C6 | 128.5° | 126.3° |
| C5 | N5 | C3 | 106.0° | 107.5° |
| N5 | C5 | H4 | 123.2° | 125.0° |
| N5 | C6 | O1 | 106.9° | 110.4° |
| N5 | C6 | C25 | 115.5° | 110.4° |
| C6 | N5 | C3 | 125.3° | 126.3° |
| N5 | C6 | H5 | 110.1° | 110.4° |
| C6 | O1 | C7 | 107.2° | 105.3° |
| O1 | C6 | C25 | 104.7° | 104.8° |
| O1 | C6 | H5 | 110.5° | 110.4° |
| O1 | C7 | C8 | 109.0° | 110.4° |
| O1 | C7 | C24 | 106.3° | 104.8° |
| O1 | C7 | H6 | 109.0° | 110.5° |
| C7 | C8 | N6 | 111.2° | 109.5° |
| C8 | C7 | C24 | 116.8° | 110.4° |
| C8 | C7 | H6 | 107.9° | 110.3° |
| C7 | C8 | H7 | 109.1° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.4° |
| C8 | N6 | C9 | 113.8° | 111.0° |
| C8 | N6 | C20 | 114.3° | 111.0° |
| N6 | C8 | H7 | 109.0° | 109.5° |
| N6 | C8 | H8 | 109.0° | 109.5° |
| N6 | C9 | C10 | 116.6° | 109.5° |
| C9 | N6 | C20 | 120.5° | 111.0° |
| N6 | C9 | H9 | 107.7° | 109.5° |
| N6 | C9 | H10 | 107.7° | 109.5° |
| C9 | C10 | C11 | 115.0° | 109.5° |
| C10 | C9 | H9 | 107.6° | 109.5° |
| C10 | C9 | H10 | 107.7° | 109.4° |
| C9 | C10 | H11 | 108.1° | 109.5° |
| C9 | C10 | H12 | 108.1° | 109.4° |
| C10 | C11 | N7 | 114.2° | 109.5° |
| C11 | C10 | H11 | 108.1° | 109.5° |
| C11 | C10 | H12 | 108.1° | 109.5° |
| C10 | C11 | H13 | 108.3° | 109.5° |
| C10 | C11 | H14 | 108.3° | 109.5° |
| C11 | N7 | C12 | 114.5° | 111.0° |
| N7 | C11 | H13 | 108.3° | 109.5° |
| N7 | C11 | H14 | 108.3° | 109.4° |
| C11 | N7 | H15 | 108.2° | 111.0° |
| N7 | C12 | C13 | 114.0° | 109.5° |
| C12 | N7 | H15 | 108.2° | 111.0° |
| N7 | C12 | H16 | 108.3° | 109.5° |
| N7 | C12 | H17 | 108.3° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H18 | 109.1° | 109.5° |
| C12 | C13 | H19 | 109.1° | 109.5° |
| C13 | C12 | H16 | 108.3° | 109.5° |
| C13 | C12 | H17 | 108.3° | 109.5° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C13 | C14 | C19 | 120.7° | 120.0° |
| C14 | C13 | H18 | 109.1° | 109.5° |
| C14 | C13 | H19 | 109.1° | 109.4° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C15 | C14 | C19 | 118.3° | 120.0° |
| C14 | C15 | H20 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C16 | C15 | H20 | 119.8° | 120.0° |
| C15 | C16 | H21 | 119.6° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H21 | 119.7° | 120.0° |
| C16 | C17 | H22 | 120.1° | 120.0° |
| C17 | C18 | C19 | 119.3° | 119.9° |
| C18 | C17 | H22 | 120.1° | 120.0° |
| C17 | C18 | H23 | 120.3° | 120.0° |
| C18 | C19 | C14 | 121.5° | 120.0° |
| C19 | C18 | H23 | 120.3° | 120.1° |
| C18 | C19 | H24 | 119.3° | 119.9° |
| N6 | C20 | C21 | 109.3° | 109.4° |
| N6 | C20 | H25 | 109.5° | 109.5° |
| N6 | C20 | H26 | 109.5° | 109.4° |
| C20 | C21 | C22 | 116.2° | 109.5° |
| C21 | C20 | H25 | 109.5° | 109.5° |
| C21 | C20 | H26 | 109.5° | 109.5° |
| C20 | C21 | H27 | 107.8° | 109.5° |
| C20 | C21 | H28 | 107.8° | 109.5° |
| C21 | C22 | N8 | 110.6° | 109.4° |
| C21 | C22 | C23 | 108.7° | 109.5° |
| C22 | C21 | H27 | 107.8° | 109.4° |
| C22 | C21 | H28 | 107.8° | 109.5° |
| C21 | C22 | H29 | 109.1° | 109.5° |
| N8 | C22 | C23 | 109.7° | 109.4° |
| N8 | C22 | H29 | 109.6° | 109.5° |
| C22 | N8 | H30 | 109.5° | 111.1° |
| C22 | N8 | H31 | 109.4° | 111.0° |
| C22 | C23 | O2 | 116.7° | 120.0° |
| C22 | C23 | O3 | 117.1° | 120.0° |
| C23 | C22 | H29 | 109.1° | 109.5° |
| O2 | C23 | O3 | 126.2° | 120.1° |
| C23 | O3 | H39 | 109.5° | 117.0° |
| C7 | C24 | O4 | 113.2° | 110.6° |
| C7 | C24 | C25 | 104.3° | 104.1° |
| C24 | C7 | H6 | 107.7° | 110.3° |
| C7 | C24 | H33 | 107.3° | 110.5° |
| O4 | C24 | C25 | 115.2° | 110.5° |
| O4 | C24 | H33 | 109.0° | 110.4° |
| C24 | O4 | H34 | 109.5° | 114.0° |
| C24 | C25 | O5 | 115.5° | 110.5° |
| C24 | C25 | C6 | 99.9° | 104.0° |
| C25 | C24 | H33 | 107.3° | 110.6° |
| C24 | C25 | H35 | 108.2° | 110.5° |
| O5 | C25 | C6 | 114.5° | 110.5° |
| O5 | C25 | H35 | 109.8° | 110.6° |
| C25 | O5 | H36 | 109.5° | 114.0° |
| C25 | C6 | H5 | 109.0° | 110.4° |
| C6 | C25 | H35 | 108.3° | 110.5° |
| C14 | C19 | H24 | 119.3° | 120.0° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H2 | N1 | H1 | 109.5° | 120.0° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H30 | N8 | H31 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C4 | 178.2° | 179.9° |
| N1 | C1 | N2 | C2 | 179.5° | 180.0° |
| N1 | C1 | C4 | C3 | 179.9° | 179.8° |
| N1 | C1 | C4 | N4 | 1.7° | 0.1° |
| C1 | N1 | H2 | H1 | 120.0° | 179.9° |
| C1 | N2 | C2 | N3 | 0.0° | 0.3° |
| N2 | C1 | C4 | C3 | 1.8° | 0.3° |
| N2 | C1 | C4 | N4 | 179.8° | 180.0° |
| C1 | N2 | C2 | H3 | 179.9° | 179.9° |
| N2 | C1 | N1 | H2 | 0.0° | 0.1° |
| N2 | C1 | N1 | H1 | 120.0° | 180.0° |
| N2 | C2 | N3 | H3 | 180.0° | 179.6° |
| N2 | C2 | N3 | C3 | 2.9° | 0.4° |
| C2 | N2 | C1 | C4 | 2.4° | 0.1° |
| C2 | N3 | C3 | C4 | 3.5° | 0.2° |
| C2 | N3 | C3 | N5 | 179.3° | 179.4° |
| N3 | C3 | C4 | N5 | 176.5° | 179.7° |
| N3 | C3 | C4 | N4 | 177.4° | 180.0° |
| N3 | C3 | N5 | C5 | 178.6° | 179.9° |
| N3 | C3 | N5 | C6 | 6.2° | 0.0° |
| N3 | C3 | C4 | C1 | 1.4° | 0.2° |
| C3 | N3 | C2 | H3 | 177.1° | 180.0° |
| C3 | C4 | N4 | C1 | 178.5° | 179.7° |
| C3 | C4 | N4 | C5 | 0.7° | 0.2° |
| C4 | C3 | N5 | C5 | 2.1° | 0.3° |
| C4 | C3 | N5 | C6 | 177.3° | 179.6° |
| C4 | N4 | C5 | N5 | 2.1° | 0.0° |
| N4 | C4 | C3 | N5 | 0.9° | 0.4° |
| C4 | N4 | C5 | H4 | 177.9° | 179.8° |
| N4 | C5 | N5 | H4 | 180.0° | 179.8° |
| N4 | C5 | N5 | C6 | 177.8° | 179.7° |
| C5 | N4 | C4 | C1 | 179.2° | 180.0° |
| N4 | C5 | N5 | C3 | 2.7° | 0.2° |
| C5 | N5 | C6 | C3 | 174.1° | 179.9° |
| C5 | N5 | C6 | O1 | 72.8° | 25.3° |
| C5 | N5 | C6 | C25 | 43.2° | 90.1° |
| C5 | N5 | C6 | H5 | 167.2° | 147.6° |
| N5 | C6 | O1 | C25 | 123.0° | 118.9° |
| N5 | C6 | O1 | H5 | 119.7° | 122.2° |
| N5 | C6 | O1 | C7 | 161.4° | 159.4° |
| N5 | C6 | C25 | C24 | 158.9° | 142.8° |
| N5 | C6 | C25 | O5 | 77.1° | 98.5° |
| N5 | C6 | C25 | H5 | 124.5° | 122.3° |
| C6 | N5 | C5 | H4 | 2.2° | 0.1° |
| N5 | C6 | C25 | H35 | 45.8° | 24.2° |
| C6 | O1 | C7 | C8 | 145.0° | 159.3° |
| C6 | O1 | C7 | C24 | 18.4° | 40.5° |
| O1 | C6 | C25 | C24 | 41.7° | 24.0° |
| O1 | C6 | C25 | O5 | 165.7° | 142.6° |
| O1 | C6 | C25 | H5 | 118.3° | 118.9° |
| O1 | C6 | N5 | C3 | 101.4° | 154.8° |
| C6 | O1 | C7 | H6 | 97.4° | 78.4° |
| O1 | C6 | C25 | H35 | 71.4° | 94.6° |
| O1 | C7 | C8 | C24 | 120.4° | 115.4° |
| O1 | C7 | C8 | H6 | 118.2° | 122.4° |
| O1 | C7 | C8 | N6 | 172.3° | 65.6° |
| O1 | C7 | C24 | H6 | 116.7° | 119.0° |
| O1 | C7 | C24 | O4 | 117.6° | 142.6° |
| O1 | C7 | C24 | C25 | 8.4° | 24.0° |
| C7 | O1 | C6 | C25 | 38.4° | 40.5° |
| O1 | C7 | C8 | H7 | 67.4° | 174.4° |
| O1 | C7 | C8 | H8 | 52.1° | 54.4° |
| C7 | O1 | C6 | H5 | 78.8° | 78.4° |
| O1 | C7 | C24 | H33 | 122.1° | 94.8° |
| C7 | C8 | N6 | H7 | 120.3° | 120.0° |
| C7 | C8 | N6 | H8 | 120.3° | 119.9° |
| C7 | C8 | N6 | C9 | 131.2° | 75.9° |
| C7 | C8 | N6 | C20 | 85.0° | 160.1° |
| C8 | C7 | C24 | H6 | 121.5° | 122.2° |
| C8 | C7 | C24 | O4 | 120.6° | 98.5° |
| C8 | C7 | C24 | C25 | 113.4° | 142.8° |
| C7 | C8 | H7 | H8 | 119.2° | 120.0° |
| C8 | C7 | C24 | H33 | 0.3° | 24.1° |
| C8 | N6 | C9 | C20 | 141.4° | 124.0° |
| C8 | N6 | C9 | C10 | 96.6° | 170.0° |
| C8 | N6 | C20 | C21 | 123.4° | 71.3° |
| N6 | C8 | C7 | C24 | 67.3° | 179.1° |
| N6 | C8 | C7 | H6 | 54.1° | 56.9° |
| N6 | C8 | H7 | H8 | 119.2° | 120.0° |
| C8 | N6 | C9 | H9 | 142.4° | 50.0° |
| C8 | N6 | C9 | H10 | 24.5° | 70.0° |
| C8 | N6 | C20 | H25 | 116.7° | 168.7° |
| C8 | N6 | C20 | H26 | 3.4° | 48.7° |
| N6 | C9 | C10 | H9 | 121.0° | 120.0° |
| N6 | C9 | C10 | H10 | 121.0° | 120.0° |
| N6 | C9 | C10 | C11 | 70.0° | 180.0° |
| C9 | N6 | C20 | C21 | 95.4° | 164.8° |
| C9 | N6 | C8 | H7 | 10.9° | 44.1° |
| C9 | N6 | C8 | H8 | 108.6° | 164.1° |
| N6 | C9 | H9 | H10 | 116.8° | 120.0° |
| N6 | C9 | C10 | H11 | 50.8° | 59.9° |
| N6 | C9 | C10 | H12 | 169.2° | 60.0° |
| C9 | N6 | C20 | H25 | 24.5° | 44.8° |
| C9 | N6 | C20 | H26 | 144.6° | 75.3° |
| C9 | C10 | C11 | H11 | 120.8° | 120.1° |
| C9 | C10 | C11 | H12 | 120.8° | 119.9° |
| C9 | C10 | C11 | N7 | 167.0° | 180.0° |
| C10 | C9 | N6 | C20 | 44.8° | 66.0° |
| C10 | C9 | H9 | H10 | 116.8° | 119.9° |
| C9 | C10 | H11 | H12 | 117.5° | 119.9° |
| C9 | C10 | C11 | H13 | 46.3° | 59.9° |
| C9 | C10 | C11 | H14 | 72.3° | 60.1° |
| C10 | C11 | N7 | H13 | 120.7° | 120.1° |
| C10 | C11 | N7 | H14 | 120.7° | 120.0° |
| C10 | C11 | N7 | C12 | 52.9° | 180.0° |
| C11 | C10 | C9 | H9 | 169.0° | 60.0° |
| C11 | C10 | C9 | H10 | 51.0° | 60.0° |
| C11 | C10 | H11 | H12 | 117.5° | 120.0° |
| C10 | C11 | H13 | H14 | 117.9° | 120.0° |
| C10 | C11 | N7 | H15 | 173.6° | 55.9° |
| C11 | N7 | C12 | H15 | 120.8° | 124.0° |
| C11 | N7 | C12 | C13 | 71.2° | 180.0° |
| N7 | C11 | C10 | H11 | 72.2° | 59.9° |
| N7 | C11 | C10 | H12 | 46.2° | 60.1° |
| N7 | C11 | H13 | H14 | 117.8° | 119.9° |
| C11 | N7 | C12 | H16 | 168.1° | 60.1° |
| C11 | N7 | C12 | H17 | 49.4° | 60.0° |
| N7 | C12 | C13 | H16 | 120.7° | 120.0° |
| N7 | C12 | C13 | H17 | 120.7° | 120.0° |
| N7 | C12 | C13 | C14 | 168.2° | 180.0° |
| N7 | C12 | C13 | H18 | 48.0° | 60.0° |
| N7 | C12 | C13 | H19 | 71.6° | 60.1° |
| C12 | N7 | C11 | H13 | 67.8° | 59.9° |
| C12 | N7 | C11 | H14 | 173.6° | 60.0° |
| N7 | C12 | H16 | H17 | 117.9° | 120.0° |
| C12 | C13 | C14 | H18 | 120.2° | 120.0° |
| C12 | C13 | C14 | H19 | 120.2° | 120.0° |
| C12 | C13 | C14 | C15 | 79.2° | 90.0° |
| C12 | C13 | C14 | C19 | 100.3° | 90.3° |
| C12 | C13 | H18 | H19 | 119.4° | 120.0° |
| C13 | C12 | N7 | H15 | 49.6° | 56.0° |
| C13 | C12 | H16 | H17 | 117.9° | 120.0° |
| C13 | C14 | C15 | C19 | 179.6° | 179.7° |
| C13 | C14 | C15 | C16 | 179.4° | 180.0° |
| C13 | C14 | C19 | C18 | 179.6° | 179.8° |
| C14 | C13 | H18 | H19 | 119.4° | 120.0° |
| C14 | C13 | C12 | H16 | 71.1° | 60.0° |
| C14 | C13 | C12 | H17 | 47.5° | 60.0° |
| C13 | C14 | C15 | H20 | 0.6° | 0.0° |
| C13 | C14 | C19 | H24 | 0.4° | 0.0° |
| C14 | C15 | C16 | H20 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.9° | 0.1° |
| C15 | C14 | C19 | C18 | 0.8° | 0.5° |
| C15 | C14 | C13 | H18 | 160.6° | 30.0° |
| C15 | C14 | C13 | H19 | 40.9° | 150.0° |
| C14 | C15 | C16 | H21 | 179.1° | 180.0° |
| C15 | C14 | C19 | H24 | 179.2° | 179.7° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.1° |
| C16 | C15 | C14 | C19 | 0.2° | 0.3° |
| C15 | C16 | C17 | H22 | 179.4° | 180.0° |
| C16 | C17 | C18 | H22 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.2° |
| C17 | C16 | C15 | H20 | 179.1° | 180.0° |
| C16 | C17 | C18 | H23 | 179.7° | 179.9° |
| C17 | C18 | C19 | H23 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 1.1° | 0.4° |
| C18 | C17 | C16 | H21 | 179.3° | 180.0° |
| C17 | C18 | C19 | H24 | 178.9° | 179.8° |
| C18 | C19 | C14 | H24 | 180.0° | 179.8° |
| C19 | C18 | C17 | H22 | 179.7° | 179.9° |
| N6 | C20 | C21 | H25 | 120.0° | 120.0° |
| N6 | C20 | C21 | H26 | 120.0° | 119.9° |
| N6 | C20 | C21 | C22 | 174.2° | 175.2° |
| C20 | N6 | C8 | H7 | 154.7° | 79.9° |
| C20 | N6 | C8 | H8 | 35.2° | 40.2° |
| C20 | N6 | C9 | H9 | 76.2° | 174.0° |
| C20 | N6 | C9 | H10 | 165.9° | 54.0° |
| N6 | C20 | H25 | H26 | 120.1° | 120.0° |
| N6 | C20 | C21 | H27 | 64.8° | 55.2° |
| N6 | C20 | C21 | H28 | 53.2° | 64.8° |
| C20 | C21 | C22 | H27 | 121.0° | 120.0° |
| C20 | C21 | C22 | H28 | 121.0° | 120.0° |
| C20 | C21 | C22 | N8 | 54.4° | 65.4° |
| C20 | C21 | C22 | C23 | 66.0° | 174.6° |
| C21 | C20 | H25 | H26 | 120.1° | 120.0° |
| C20 | C21 | H27 | H28 | 116.9° | 120.0° |
| C20 | C21 | C22 | H29 | 175.1° | 54.6° |
| C21 | C22 | N8 | C23 | 119.8° | 119.9° |
| C21 | C22 | N8 | H29 | 120.4° | 120.0° |
| C21 | C22 | C23 | H29 | 118.9° | 120.1° |
| C21 | C22 | C23 | O2 | 108.9° | 102.2° |
| C21 | C22 | C23 | O3 | 67.5° | 77.8° |
| C22 | C21 | C20 | H25 | 54.2° | 64.8° |
| C22 | C21 | C20 | H26 | 65.8° | 55.2° |
| C22 | C21 | H27 | H28 | 117.0° | 120.0° |
| C21 | C22 | N8 | H30 | 180.0° | 60.0° |
| C21 | C22 | N8 | H31 | 60.0° | 64.0° |
| N8 | C22 | C23 | H29 | 120.1° | 120.0° |
| N8 | C22 | C23 | O2 | 12.2° | 17.7° |
| N8 | C22 | C23 | O3 | 171.5° | 162.3° |
| N8 | C22 | C21 | H27 | 66.6° | 174.6° |
| N8 | C22 | C21 | H28 | 175.4° | 54.6° |
| C22 | N8 | H30 | H31 | 120.0° | 124.0° |
| C22 | C23 | O2 | O3 | 176.0° | 180.0° |
| C23 | C22 | C21 | H27 | 173.0° | 54.6° |
| C23 | C22 | C21 | H28 | 54.9° | 65.3° |
| C23 | C22 | N8 | H30 | 60.2° | 60.0° |
| C23 | C22 | N8 | H31 | 59.9° | 176.1° |
| C22 | C23 | O3 | H39 | 176.0° | 175.0° |
| O2 | C23 | C22 | H29 | 132.2° | 137.7° |
| O2 | C23 | O3 | H39 | 0.0° | 5.0° |
| O3 | C23 | C22 | H29 | 51.4° | 42.2° |
| C7 | C24 | O4 | C25 | 120.0° | 114.7° |
| C7 | C24 | O4 | H33 | 119.3° | 122.6° |
| C7 | C24 | C25 | H33 | 113.7° | 118.7° |
| C7 | C24 | C25 | O5 | 152.8° | 118.7° |
| C7 | C24 | C25 | C6 | 29.5° | 0.0° |
| C24 | C7 | C8 | H7 | 53.0° | 59.0° |
| C24 | C7 | C8 | H8 | 172.5° | 61.0° |
| C7 | C24 | O4 | H34 | 180.0° | 180.0° |
| C7 | C24 | C25 | H35 | 83.7° | 118.6° |
| O4 | C24 | C25 | H33 | 121.5° | 122.6° |
| O4 | C24 | C25 | O5 | 28.0° | 0.0° |
| O4 | C24 | C25 | C6 | 95.3° | 118.7° |
| O4 | C24 | C7 | H6 | 0.9° | 23.7° |
| O4 | C24 | C25 | H35 | 151.5° | 122.7° |
| C24 | C25 | O5 | C6 | 115.2° | 114.6° |
| C24 | C25 | O5 | H35 | 122.7° | 122.7° |
| C24 | C25 | C6 | H35 | 113.1° | 118.6° |
| C25 | C24 | C7 | H6 | 125.1° | 95.0° |
| C24 | C25 | C6 | H5 | 76.5° | 94.9° |
| C25 | C24 | O4 | H34 | 60.0° | 65.3° |
| C24 | C25 | O5 | H36 | 180.0° | 65.3° |
| O5 | C25 | C6 | H35 | 122.9° | 122.8° |
| O5 | C25 | C6 | H5 | 47.5° | 23.8° |
| O5 | C25 | C24 | H33 | 93.6° | 122.6° |
| C1 | C4 | C3 | N5 | 177.9° | 179.9° |
| C4 | C1 | N1 | H2 | 178.0° | 180.0° |
| C4 | C1 | N1 | H1 | 58.0° | 0.1° |
| C25 | C6 | N5 | C3 | 142.7° | 89.8° |
| C6 | C25 | C24 | H33 | 143.1° | 118.7° |
| C6 | C25 | O5 | H36 | 64.8° | 180.0° |
| C3 | N5 | C5 | H4 | 177.3° | 180.0° |
| C3 | N5 | C6 | H5 | 18.7° | 32.5° |
| C19 | C14 | C13 | H18 | 19.8° | 149.8° |
| C19 | C14 | C13 | H19 | 139.5° | 29.7° |
| C19 | C14 | C15 | H20 | 179.8° | 179.8° |
| C14 | C19 | C18 | H23 | 178.9° | 179.7° |
| H6 | C7 | C8 | H7 | 174.4° | 63.2° |
| H6 | C7 | C8 | H8 | 66.1° | 176.8° |
| H6 | C7 | C24 | H33 | 121.2° | 146.2° |
| H18 | C13 | C12 | H16 | 168.7° | 60.0° |
| H18 | C13 | C12 | H17 | 72.6° | 180.0° |
| H19 | C13 | C12 | H16 | 49.1° | 180.0° |
| H19 | C13 | C12 | H17 | 167.7° | 59.9° |
| H5 | C6 | C25 | H35 | 170.4° | 146.5° |
| H9 | C9 | C10 | H11 | 70.2° | 180.0° |
| H9 | C9 | C10 | H12 | 48.2° | 60.0° |
| H10 | C9 | C10 | H11 | 171.8° | 60.0° |
| H10 | C9 | C10 | H12 | 69.8° | 180.0° |
| H11 | C10 | C11 | H13 | 167.2° | 180.0° |
| H11 | C10 | C11 | H14 | 48.5° | 60.0° |
| H12 | C10 | C11 | H13 | 74.5° | 60.0° |
| H12 | C10 | C11 | H14 | 166.9° | NaN° |
| H13 | C11 | N7 | H15 | 52.9° | 176.0° |
| H14 | C11 | N7 | H15 | 65.7° | 64.0° |
| H15 | N7 | C12 | H16 | 71.1° | 64.0° |
| H15 | N7 | C12 | H17 | 170.2° | 176.0° |
| H20 | C15 | C16 | H21 | 0.9° | 0.0° |
| H21 | C16 | C17 | H22 | 0.7° | 0.1° |
| H22 | C17 | C18 | H23 | 0.3° | 0.0° |
| H23 | C18 | C19 | H24 | 1.1° | 0.1° |
| H25 | C20 | C21 | H27 | 175.2° | 175.3° |
| H25 | C20 | C21 | H28 | 66.7° | 55.2° |
| H26 | C20 | C21 | H27 | 55.1° | 64.7° |
| H26 | C20 | C21 | H28 | 173.2° | 175.3° |
| H27 | C21 | C22 | H29 | 54.1° | 65.4° |
| H28 | C21 | C22 | H29 | 64.0° | 174.6° |
| H29 | C22 | N8 | H30 | 59.6° | 180.0° |
| H29 | C22 | N8 | H31 | 179.7° | 56.0° |
| H33 | C24 | O4 | H34 | 60.7° | 57.4° |
| H33 | C24 | C25 | H35 | 30.0° | 0.1° |
| H35 | C25 | O5 | H36 | 57.3° | 57.3° |
