KNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C4 | sing | 1.38Å | 1.34Å | |
| C4 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C1 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C6 | sing | 1.47Å | 1.44Å | |
| C6 | O1 | sing | 1.44Å | 1.40Å | |
| C6 | C9 | sing | 1.54Å | 1.52Å | |
| O1 | C7 | sing | 1.44Å | 1.44Å | |
| C9 | O3 | sing | 1.43Å | 1.41Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C10 | sing | 1.53Å | 1.51Å | |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| C10 | N5 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| N5 | C15 | sing | 1.47Å | 1.47Å | |
| N5 | C11 | sing | 1.47Å | 1.47Å | |
| C23 | N6 | sing | 1.47Å | 1.47Å | |
| C23 | C19 | sing | 1.53Å | 1.52Å | |
| N6 | C22 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| N8 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | CL1 | sing | 1.74Å | 1.73Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | O5 | doub | 1.21Å | 1.24Å | |
| C14 | O4 | sing | 1.34Å | 1.25Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | CL2 | sing | 1.74Å | 1.74Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C3 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | H30 | sing | 1.01Å | 1.00Å | |
| N7 | H32 | sing | 0.97Å | 1.00Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| N8 | H34 | sing | 1.01Å | 1.00Å | |
| N8 | H35 | sing | 1.01Å | 1.00Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| O4 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C4 | N2 | 119.5° | 120.7° |
| N7 | C4 | C1 | 123.6° | 120.8° |
| C4 | N7 | H32 | 109.5° | 120.0° |
| C4 | N7 | H33 | 109.4° | 120.0° |
| N2 | C4 | C1 | 116.9° | 118.4° |
| C4 | N2 | C3 | 118.6° | 121.2° |
| C4 | C1 | N3 | 132.1° | 134.6° |
| C4 | C1 | C2 | 117.7° | 118.2° |
| N2 | C3 | N1 | 129.7° | 122.4° |
| N2 | C3 | H27 | 115.1° | 118.8° |
| C1 | N3 | C5 | 104.9° | 109.4° |
| N3 | C1 | C2 | 110.2° | 107.2° |
| N3 | C5 | N4 | 112.4° | 109.9° |
| N3 | C5 | H1 | 123.8° | 125.1° |
| C1 | C2 | N1 | 127.0° | 119.1° |
| C1 | C2 | N4 | 105.6° | 106.0° |
| C3 | N1 | C2 | 110.1° | 120.7° |
| N1 | C3 | H27 | 115.2° | 118.8° |
| C5 | N4 | C2 | 106.9° | 107.4° |
| C5 | N4 | C6 | 125.8° | 126.3° |
| N4 | C5 | H1 | 123.8° | 125.0° |
| N1 | C2 | N4 | 127.4° | 134.9° |
| C2 | N4 | C6 | 127.3° | 126.3° |
| N4 | C6 | O1 | 108.3° | 110.4° |
| N4 | C6 | C9 | 112.2° | 110.3° |
| N4 | C6 | H2 | 111.2° | 110.4° |
| O1 | C6 | C9 | 103.2° | 104.8° |
| C6 | O1 | C7 | 105.7° | 105.2° |
| O1 | C6 | H2 | 111.7° | 110.4° |
| C6 | C9 | O3 | 113.3° | 110.5° |
| C6 | C9 | C8 | 102.4° | 104.0° |
| C9 | C6 | H2 | 109.9° | 110.4° |
| C6 | C9 | H28 | 108.3° | 110.5° |
| O1 | C7 | C8 | 106.0° | 104.8° |
| O1 | C7 | C10 | 111.3° | 110.4° |
| O1 | C7 | H3 | 108.5° | 110.5° |
| O3 | C9 | C8 | 114.5° | 110.5° |
| O3 | C9 | H28 | 109.8° | 110.5° |
| C9 | O3 | H38 | 109.5° | 114.0° |
| C9 | C8 | C7 | 103.5° | 104.1° |
| C9 | C8 | O2 | 111.3° | 110.5° |
| C9 | C8 | H4 | 110.3° | 110.6° |
| C8 | C9 | H28 | 108.2° | 110.6° |
| C8 | C7 | C10 | 115.9° | 110.4° |
| C7 | C8 | O2 | 109.0° | 110.5° |
| C8 | C7 | H3 | 107.3° | 110.4° |
| C7 | C8 | H4 | 110.3° | 110.5° |
| C7 | C10 | N5 | 110.3° | 109.5° |
| C10 | C7 | H3 | 107.6° | 110.3° |
| C7 | C10 | H5 | 109.2° | 109.5° |
| C7 | C10 | H6 | 109.3° | 109.4° |
| O2 | C8 | H4 | 112.0° | 110.5° |
| C8 | O2 | H37 | 109.5° | 114.0° |
| C10 | N5 | C15 | 112.5° | 111.0° |
| C10 | N5 | C11 | 111.4° | 111.0° |
| N5 | C10 | H5 | 109.3° | 109.5° |
| N5 | C10 | H6 | 109.3° | 109.5° |
| C17 | C16 | C15 | 111.0° | 109.5° |
| C16 | C17 | C18 | 115.6° | 109.5° |
| C16 | C17 | H10 | 107.9° | 109.4° |
| C16 | C17 | H11 | 107.9° | 109.5° |
| C17 | C16 | H19 | 109.1° | 109.5° |
| C17 | C16 | H20 | 109.1° | 109.5° |
| C16 | C15 | N5 | 116.4° | 109.5° |
| C16 | C15 | H8 | 107.7° | 109.5° |
| C16 | C15 | H9 | 107.7° | 109.5° |
| C15 | C16 | H19 | 109.1° | 109.4° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C17 | C18 | C19 | 113.7° | 109.5° |
| C18 | C17 | H10 | 107.9° | 109.5° |
| C18 | C17 | H11 | 107.9° | 109.5° |
| C17 | C18 | H21 | 108.4° | 109.5° |
| C17 | C18 | H22 | 108.4° | 109.5° |
| C15 | N5 | C11 | 109.1° | 111.0° |
| N5 | C15 | H8 | 107.7° | 109.4° |
| N5 | C15 | H9 | 107.7° | 109.5° |
| N5 | C11 | C12 | 113.8° | 109.4° |
| N5 | C11 | H15 | 108.3° | 109.5° |
| N5 | C11 | H16 | 108.4° | 109.5° |
| N6 | C23 | C19 | 110.6° | 108.5° |
| C23 | N6 | C22 | 108.3° | 110.2° |
| N6 | C23 | H24 | 109.2° | 109.6° |
| N6 | C23 | H25 | 109.2° | 109.6° |
| C23 | N6 | H30 | 109.8° | 111.0° |
| C23 | C19 | C18 | 110.4° | 109.4° |
| C23 | C19 | C20 | 112.4° | 110.0° |
| C23 | C19 | H23 | 107.2° | 109.4° |
| C19 | C23 | H24 | 109.2° | 109.6° |
| C19 | C23 | H25 | 109.2° | 109.7° |
| N6 | C22 | C21 | 112.5° | 110.5° |
| N6 | C22 | H12 | 108.7° | 109.3° |
| N6 | C22 | H13 | 108.7° | 109.1° |
| C22 | N6 | H30 | 109.8° | 111.0° |
| C18 | C19 | C20 | 112.2° | 109.4° |
| C19 | C18 | H21 | 108.4° | 109.4° |
| C19 | C18 | H22 | 108.4° | 109.5° |
| C18 | C19 | H23 | 107.0° | 109.4° |
| C11 | C12 | C13 | 115.5° | 109.5° |
| C12 | C11 | H15 | 108.4° | 109.5° |
| C12 | C11 | H16 | 108.4° | 109.4° |
| C11 | C12 | H17 | 107.9° | 109.5° |
| C11 | C12 | H18 | 107.9° | 109.4° |
| C19 | C20 | C21 | 120.3° | 121.6° |
| C19 | C20 | C24 | 120.9° | 118.5° |
| C20 | C19 | H23 | 107.3° | 109.4° |
| C22 | C21 | C20 | 120.3° | 121.9° |
| C22 | C21 | C27 | 120.1° | 118.4° |
| C21 | C22 | H12 | 108.7° | 109.3° |
| C21 | C22 | H13 | 108.7° | 109.3° |
| C12 | C13 | N8 | 110.7° | 109.4° |
| C12 | C13 | C14 | 107.4° | 109.5° |
| C12 | C13 | H7 | 110.0° | 109.5° |
| C13 | C12 | H17 | 107.9° | 109.5° |
| C13 | C12 | H18 | 107.9° | 109.5° |
| C21 | C20 | C24 | 118.8° | 119.9° |
| C20 | C21 | C27 | 119.5° | 119.8° |
| C20 | C24 | C25 | 121.1° | 120.4° |
| C20 | C24 | H14 | 119.4° | 119.7° |
| C21 | C27 | CL1 | 119.8° | 119.9° |
| C21 | C27 | C26 | 120.9° | 120.3° |
| N8 | C13 | C14 | 107.6° | 109.5° |
| N8 | C13 | H7 | 110.7° | 109.4° |
| C13 | N8 | H34 | 109.5° | 111.0° |
| C13 | N8 | H35 | 109.5° | 111.0° |
| C13 | C14 | O5 | 116.4° | 120.0° |
| C13 | C14 | O4 | 117.4° | 120.0° |
| C14 | C13 | H7 | 110.2° | 109.4° |
| C24 | C25 | C26 | 119.5° | 119.8° |
| C25 | C24 | H14 | 119.4° | 119.9° |
| C24 | C25 | H26 | 120.2° | 120.0° |
| CL1 | C27 | C26 | 119.3° | 119.9° |
| C27 | C26 | C25 | 120.1° | 119.9° |
| C27 | C26 | CL2 | 119.3° | 120.1° |
| O5 | C14 | O4 | 126.2° | 120.0° |
| C14 | O4 | H39 | 109.5° | 117.0° |
| C25 | C26 | CL2 | 120.6° | 120.1° |
| C26 | C25 | H26 | 120.3° | 120.1° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.3° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.8° |
| H32 | N7 | H33 | 109.5° | 120.0° |
| H34 | N8 | H35 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C4 | N2 | C1 | 179.6° | 180.0° |
| N7 | C4 | N2 | C3 | 179.7° | 180.0° |
| N7 | C4 | C1 | N3 | 1.2° | 0.0° |
| N7 | C4 | C1 | C2 | 179.8° | 180.0° |
| C4 | N7 | H32 | H33 | 120.0° | 179.9° |
| N2 | C4 | C1 | N3 | 179.2° | 180.0° |
| N2 | C4 | C1 | C2 | 0.6° | 0.0° |
| C4 | N2 | C3 | N1 | 0.6° | 0.0° |
| C4 | N2 | C3 | H27 | 179.4° | 180.0° |
| N2 | C4 | N7 | H32 | 0.0° | 0.0° |
| N2 | C4 | N7 | H33 | 120.0° | 180.0° |
| C1 | C4 | N2 | C3 | 0.0° | 0.0° |
| C4 | C1 | N3 | C2 | 178.7° | 180.0° |
| C4 | C1 | N3 | C5 | 179.1° | 180.0° |
| C4 | C1 | C2 | N1 | 0.6° | 0.0° |
| C4 | C1 | C2 | N4 | 179.2° | 180.0° |
| C1 | C4 | N7 | H32 | 179.6° | 180.0° |
| C1 | C4 | N7 | H33 | 60.4° | 0.1° |
| N2 | C3 | N1 | H27 | 180.0° | 180.0° |
| N2 | C3 | N1 | C2 | 0.6° | 0.0° |
| C1 | N3 | C5 | N4 | 0.4° | 0.0° |
| N3 | C1 | C2 | N1 | 179.5° | 180.0° |
| N3 | C1 | C2 | N4 | 0.3° | 0.0° |
| C1 | N3 | C5 | H1 | 179.6° | 180.0° |
| C5 | N3 | C1 | C2 | 0.5° | 0.0° |
| N3 | C5 | N4 | H1 | 180.0° | 180.0° |
| N3 | C5 | N4 | C2 | 0.2° | 0.0° |
| N3 | C5 | N4 | C6 | 179.9° | 180.0° |
| C1 | C2 | N1 | C3 | 0.0° | 0.0° |
| C1 | C2 | N4 | C5 | 0.1° | 0.0° |
| C1 | C2 | N1 | N4 | 179.8° | 179.9° |
| C1 | C2 | N4 | C6 | 179.8° | 180.0° |
| C3 | N1 | C2 | N4 | 179.8° | 180.0° |
| C5 | N4 | C2 | N1 | 179.8° | 180.0° |
| C5 | N4 | C2 | C6 | 179.9° | 180.0° |
| C5 | N4 | C6 | O1 | 89.9° | 26.9° |
| C5 | N4 | C6 | C9 | 23.4° | 88.5° |
| C5 | N4 | C6 | H2 | 147.0° | 149.2° |
| N1 | C2 | N4 | C6 | 0.4° | 0.1° |
| C2 | N1 | C3 | H27 | 179.4° | 179.9° |
| C2 | N4 | C6 | O1 | 90.3° | 153.0° |
| C2 | N4 | C6 | C9 | 156.4° | 91.6° |
| C2 | N4 | C5 | H1 | 179.8° | 180.0° |
| C2 | N4 | C6 | H2 | 32.9° | 30.7° |
| N4 | C6 | O1 | C9 | 119.1° | 118.8° |
| N4 | C6 | O1 | H2 | 122.8° | 122.3° |
| N4 | C6 | C9 | H2 | 124.3° | 122.3° |
| N4 | C6 | O1 | C7 | 163.7° | 159.3° |
| N4 | C6 | C9 | O3 | 80.7° | 98.6° |
| N4 | C6 | C9 | C8 | 155.4° | 142.8° |
| C6 | N4 | C5 | H1 | 0.1° | 0.1° |
| N4 | C6 | C9 | H28 | 41.3° | 24.1° |
| O1 | C6 | C9 | H2 | 119.3° | 118.9° |
| O1 | C6 | C9 | O3 | 162.8° | 142.6° |
| O1 | C6 | C9 | C8 | 39.0° | 24.0° |
| C6 | O1 | C7 | C8 | 32.1° | 40.5° |
| C6 | O1 | C7 | C10 | 159.0° | 159.4° |
| C6 | O1 | C7 | H3 | 82.9° | 78.4° |
| O1 | C6 | C9 | H28 | 75.1° | 94.8° |
| C9 | C6 | O1 | C7 | 44.6° | 40.5° |
| C6 | C9 | O3 | C8 | 116.9° | 114.6° |
| C6 | C9 | O3 | H28 | 121.2° | 122.6° |
| C6 | C9 | C8 | H28 | 114.2° | 118.7° |
| C6 | C9 | C8 | C7 | 18.9° | 0.0° |
| C6 | C9 | C8 | O2 | 98.0° | 118.6° |
| C6 | C9 | C8 | H4 | 137.0° | 118.7° |
| C6 | C9 | O3 | H38 | 180.0° | 180.0° |
| O1 | C7 | C8 | C9 | 6.4° | 24.0° |
| O1 | C7 | C8 | C10 | 124.0° | 118.9° |
| O1 | C7 | C8 | H3 | 115.8° | 119.0° |
| O1 | C7 | C10 | H3 | 118.7° | 122.3° |
| O1 | C7 | C8 | O2 | 125.0° | 142.6° |
| O1 | C7 | C10 | N5 | 175.0° | 70.4° |
| C7 | O1 | C6 | H2 | 73.4° | 78.4° |
| O1 | C7 | C8 | H4 | 111.6° | 94.8° |
| O1 | C7 | C10 | H5 | 54.9° | 169.5° |
| O1 | C7 | C10 | H6 | 64.9° | 49.6° |
| O3 | C9 | C8 | H28 | 122.8° | 122.7° |
| O3 | C9 | C8 | C7 | 142.0° | 118.6° |
| O3 | C9 | C8 | O2 | 25.0° | 0.1° |
| O3 | C9 | C6 | H2 | 43.6° | 23.7° |
| O3 | C9 | C8 | H4 | 100.0° | 122.7° |
| C9 | C8 | C7 | O2 | 118.5° | 118.7° |
| C9 | C8 | C7 | H4 | 118.0° | 118.8° |
| C9 | C8 | C7 | C10 | 130.5° | 142.8° |
| C9 | C8 | O2 | H4 | 124.1° | 122.7° |
| C8 | C9 | C6 | H2 | 80.3° | 94.9° |
| C9 | C8 | C7 | H3 | 109.4° | 95.0° |
| C9 | C8 | O2 | H37 | 180.0° | 65.3° |
| C8 | C9 | O3 | H38 | 63.1° | 65.4° |
| C8 | C7 | C10 | H3 | 120.1° | 122.2° |
| C7 | C8 | O2 | H4 | 122.4° | 122.6° |
| C8 | C7 | C10 | N5 | 53.7° | 174.2° |
| C8 | C7 | C10 | H5 | 66.4° | 54.1° |
| C8 | C7 | C10 | H6 | 173.9° | 65.8° |
| C7 | C8 | C9 | H28 | 95.3° | 118.7° |
| C7 | C8 | O2 | H37 | 66.5° | 180.0° |
| C10 | C7 | C8 | O2 | 111.0° | 98.5° |
| C7 | C10 | N5 | H5 | 120.1° | 120.0° |
| C7 | C10 | N5 | H6 | 120.1° | 120.0° |
| C7 | C10 | N5 | C15 | 179.3° | 163.0° |
| C7 | C10 | N5 | C11 | 57.9° | 73.0° |
| C10 | C7 | C8 | H4 | 12.4° | 24.1° |
| C7 | C10 | H5 | H6 | 119.6° | 119.9° |
| O2 | C8 | C7 | H3 | 9.2° | 23.7° |
| O2 | C8 | C9 | H28 | 147.8° | 122.7° |
| C10 | N5 | C15 | C16 | 27.2° | 164.1° |
| C10 | N5 | C15 | C11 | 124.2° | 124.0° |
| C10 | N5 | C11 | C12 | 101.2° | 57.1° |
| N5 | C10 | C7 | H3 | 66.3° | 51.9° |
| N5 | C10 | H5 | H6 | 119.6° | 120.0° |
| C10 | N5 | C15 | H8 | 148.2° | 75.8° |
| C10 | N5 | C15 | H9 | 93.8° | 44.1° |
| C10 | N5 | C11 | H15 | 19.4° | 177.1° |
| C10 | N5 | C11 | H16 | 138.1° | 62.8° |
| C17 | C16 | C15 | H19 | 120.2° | 120.0° |
| C17 | C16 | C15 | H20 | 120.2° | 120.0° |
| C16 | C17 | C18 | H10 | 120.9° | 120.0° |
| C16 | C17 | C18 | H11 | 120.9° | 120.0° |
| C17 | C16 | C15 | N5 | 158.7° | 175.9° |
| C16 | C17 | C18 | C19 | 175.4° | 180.0° |
| C17 | C16 | C15 | H8 | 37.8° | 55.9° |
| C17 | C16 | C15 | H9 | 80.2° | 64.1° |
| C16 | C17 | H10 | H11 | 117.2° | 120.0° |
| C17 | C16 | H19 | H20 | 119.3° | 120.0° |
| C16 | C17 | C18 | H21 | 64.0° | 60.1° |
| C16 | C17 | C18 | H22 | 54.7° | 59.9° |
| C15 | C16 | C17 | C18 | 52.0° | NaN° |
| C16 | C15 | N5 | H8 | 121.0° | 120.0° |
| C16 | C15 | N5 | H9 | 121.0° | 120.0° |
| C16 | C15 | N5 | C11 | 151.3° | 71.9° |
| C16 | C15 | H8 | H9 | 116.9° | 120.0° |
| C15 | C16 | C17 | H10 | 68.9° | 60.0° |
| C15 | C16 | C17 | H11 | 172.9° | 60.0° |
| C15 | C16 | H19 | H20 | 119.3° | 120.0° |
| C17 | C18 | C19 | C23 | 59.6° | 64.5° |
| C17 | C18 | C19 | H21 | 120.6° | 120.0° |
| C17 | C18 | C19 | H22 | 120.6° | 120.1° |
| C17 | C18 | C19 | C20 | 174.2° | 175.0° |
| C18 | C17 | H10 | H11 | 117.2° | 120.0° |
| C18 | C17 | C16 | H19 | 68.3° | 60.1° |
| C18 | C17 | C16 | H20 | 172.2° | 60.0° |
| C17 | C18 | H21 | H22 | 118.0° | 120.0° |
| C17 | C18 | C19 | H23 | 56.8° | 55.3° |
| C15 | N5 | C11 | C12 | 23.6° | 66.9° |
| C15 | N5 | C10 | H5 | 59.2° | 43.0° |
| C15 | N5 | C10 | H6 | 60.6° | 77.1° |
| N5 | C15 | H8 | H9 | 116.8° | 119.9° |
| C15 | N5 | C11 | H15 | 144.2° | 53.1° |
| C15 | N5 | C11 | H16 | 97.1° | 173.2° |
| N5 | C15 | C16 | H19 | 81.0° | 56.0° |
| N5 | C15 | C16 | H20 | 38.5° | 64.1° |
| N5 | C11 | C12 | H15 | 120.6° | 120.0° |
| N5 | C11 | C12 | H16 | 120.7° | 120.0° |
| N5 | C11 | C12 | C13 | 165.5° | 174.6° |
| C11 | N5 | C10 | H5 | 178.0° | 167.0° |
| C11 | N5 | C10 | H6 | 62.3° | 46.9° |
| C11 | N5 | C15 | H8 | 87.6° | 48.2° |
| C11 | N5 | C15 | H9 | 30.3° | 168.1° |
| N5 | C11 | H15 | H16 | 118.0° | 120.0° |
| N5 | C11 | C12 | H17 | 44.7° | 65.3° |
| N5 | C11 | C12 | H18 | 73.6° | 54.6° |
| N6 | C23 | C19 | H24 | 120.2° | 119.7° |
| N6 | C23 | C19 | H25 | 120.2° | 119.7° |
| C23 | N6 | C22 | H30 | 119.8° | 123.4° |
| N6 | C23 | C19 | C18 | 169.9° | 170.6° |
| N6 | C23 | C19 | C20 | 43.8° | 50.4° |
| C23 | N6 | C22 | C21 | 56.5° | 52.6° |
| C23 | N6 | C22 | H12 | 177.0° | 67.7° |
| C23 | N6 | C22 | H13 | 63.9° | 172.8° |
| N6 | C23 | C19 | H23 | 73.9° | 69.7° |
| N6 | C23 | H24 | H25 | 119.5° | 120.5° |
| C19 | C23 | N6 | C22 | 68.5° | 71.2° |
| C23 | C19 | C18 | C20 | 126.3° | 120.5° |
| C23 | C19 | C18 | H23 | 116.4° | 119.7° |
| C23 | C19 | C20 | H23 | 117.6° | 120.1° |
| C23 | C19 | C20 | C21 | 9.2° | 17.1° |
| C23 | C19 | C20 | C24 | 170.9° | 163.2° |
| C23 | C19 | C18 | H21 | 61.1° | 55.5° |
| C23 | C19 | C18 | H22 | 179.8° | 175.4° |
| C19 | C23 | H24 | H25 | 119.5° | 120.5° |
| C19 | C23 | N6 | H30 | 51.3° | 52.2° |
| N6 | C22 | C21 | H12 | 120.5° | 120.3° |
| N6 | C22 | C21 | H13 | 120.4° | 120.1° |
| N6 | C22 | C21 | C20 | 22.3° | 17.8° |
| N6 | C22 | C21 | C27 | 155.6° | 162.4° |
| N6 | C22 | H12 | H13 | 118.6° | 119.4° |
| C22 | N6 | C23 | H24 | 51.6° | 169.1° |
| C22 | N6 | C23 | H25 | 171.3° | 48.5° |
| C18 | C19 | C20 | H23 | 117.2° | 119.7° |
| C18 | C19 | C20 | C21 | 134.4° | 137.3° |
| C18 | C19 | C20 | C24 | 45.7° | 43.0° |
| C19 | C18 | C17 | H10 | 54.5° | 60.0° |
| C19 | C18 | C17 | H11 | 63.8° | 60.0° |
| C19 | C18 | H21 | H22 | 118.1° | 120.0° |
| C18 | C19 | C23 | H24 | 49.7° | 69.8° |
| C18 | C19 | C23 | H25 | 69.9° | 50.8° |
| C11 | C12 | C13 | H17 | 120.9° | 120.0° |
| C11 | C12 | C13 | H18 | 120.9° | 119.9° |
| C11 | C12 | C13 | N8 | 97.7° | 60.3° |
| C11 | C12 | C13 | C14 | 145.0° | 179.7° |
| C11 | C12 | C13 | H7 | 25.0° | 59.7° |
| C12 | C11 | H15 | H16 | 118.0° | 120.0° |
| C11 | C12 | H17 | H18 | 117.2° | 119.9° |
| C19 | C20 | C21 | C22 | 1.5° | 0.8° |
| C19 | C20 | C21 | C24 | 179.9° | 179.7° |
| C19 | C20 | C21 | C27 | 179.4° | 179.4° |
| C19 | C20 | C24 | C25 | 179.9° | 179.5° |
| C19 | C20 | C24 | H14 | 0.1° | 0.5° |
| C20 | C19 | C18 | H21 | 65.2° | 65.0° |
| C20 | C19 | C18 | H22 | 53.6° | 54.9° |
| C20 | C19 | C23 | H24 | 76.4° | 170.1° |
| C20 | C19 | C23 | H25 | 163.9° | 69.3° |
| C22 | C21 | C20 | C27 | 177.9° | 179.7° |
| C22 | C21 | C20 | C24 | 178.3° | 179.5° |
| C22 | C21 | C27 | CL1 | 2.1° | 0.5° |
| C22 | C21 | C27 | C26 | 178.7° | 179.6° |
| C21 | C22 | H12 | H13 | 118.6° | 119.6° |
| C21 | C22 | N6 | H30 | 63.3° | 70.8° |
| C12 | C13 | N8 | C14 | 117.1° | 120.0° |
| C12 | C13 | N8 | H7 | 122.4° | 120.0° |
| C12 | C13 | C14 | H7 | 119.9° | 120.0° |
| C12 | C13 | C14 | O5 | 101.5° | 99.9° |
| C12 | C13 | C14 | O4 | 77.2° | 79.9° |
| C13 | C12 | C11 | H15 | 73.8° | 54.6° |
| C13 | C12 | C11 | H16 | 44.9° | 65.4° |
| C13 | C12 | H17 | H18 | 117.2° | 120.1° |
| C12 | C13 | N8 | H34 | 180.0° | 179.6° |
| C12 | C13 | N8 | H35 | 60.0° | 55.6° |
| C21 | C20 | C24 | C25 | 0.0° | 0.2° |
| C20 | C21 | C27 | CL1 | 180.0° | 179.8° |
| C20 | C21 | C27 | C26 | 0.8° | 0.2° |
| C20 | C21 | C22 | H12 | 142.7° | 102.5° |
| C20 | C21 | C22 | H13 | 98.2° | 137.9° |
| C21 | C20 | C24 | H14 | 180.0° | 179.8° |
| C21 | C20 | C19 | H23 | 108.4° | 103.0° |
| C24 | C20 | C21 | C27 | 0.5° | 0.3° |
| C20 | C24 | C25 | H14 | 180.0° | 180.0° |
| C20 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C20 | C19 | H23 | 71.5° | 76.7° |
| C20 | C24 | C25 | H26 | 179.9° | 180.0° |
| C21 | C27 | CL1 | C26 | 179.2° | 180.0° |
| C21 | C27 | C26 | C25 | 0.7° | 0.0° |
| C21 | C27 | C26 | CL2 | 179.2° | 180.0° |
| C27 | C21 | C22 | H12 | 35.2° | 77.2° |
| C27 | C21 | C22 | H13 | 84.0° | 42.3° |
| N8 | C13 | C14 | H7 | 120.8° | 120.0° |
| N8 | C13 | C14 | O5 | 17.7° | 20.1° |
| N8 | C13 | C14 | O4 | 163.5° | 160.1° |
| N8 | C13 | C12 | H17 | 141.4° | 59.7° |
| N8 | C13 | C12 | H18 | 23.1° | 179.8° |
| C13 | N8 | H34 | H35 | 120.0° | 124.0° |
| C13 | C14 | O5 | O4 | 178.6° | 179.8° |
| C14 | C13 | C12 | H17 | 24.1° | 60.3° |
| C14 | C13 | C12 | H18 | 94.1° | 59.8° |
| C14 | C13 | N8 | H34 | 62.8° | 59.5° |
| C14 | C13 | N8 | H35 | 57.2° | 64.4° |
| C13 | C14 | O4 | H39 | 178.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | CL2 | 179.6° | 179.9° |
| CL1 | C27 | C26 | C25 | 179.9° | 180.0° |
| CL1 | C27 | C26 | CL2 | 0.1° | 0.1° |
| C27 | C26 | C25 | CL2 | 179.8° | 180.0° |
| C27 | C26 | C25 | H26 | 179.8° | 179.9° |
| O5 | C14 | C13 | H7 | 138.6° | 140.0° |
| O5 | C14 | O4 | H39 | 0.0° | 0.2° |
| O4 | C14 | C13 | H7 | 42.7° | 40.1° |
| C26 | C25 | C24 | H14 | 179.9° | 180.0° |
| CL2 | C26 | C25 | H26 | 0.4° | 0.1° |
| H2 | C6 | C9 | H28 | 165.6° | 146.3° |
| H3 | C7 | C8 | H4 | 132.6° | 146.2° |
| H3 | C7 | C10 | H5 | 173.6° | 68.1° |
| H3 | C7 | C10 | H6 | 53.8° | 171.9° |
| H4 | C8 | C9 | H28 | 22.8° | 0.0° |
| H4 | C8 | O2 | H37 | 55.9° | 57.4° |
| H7 | C13 | C12 | H17 | 95.9° | 179.7° |
| H7 | C13 | C12 | H18 | 145.9° | 60.3° |
| H7 | C13 | N8 | H34 | 57.7° | 60.4° |
| H7 | C13 | N8 | H35 | 177.7° | 175.6° |
| H8 | C15 | C16 | H19 | 158.0° | 64.0° |
| H8 | C15 | C16 | H20 | 82.5° | 176.0° |
| H9 | C15 | C16 | H19 | 40.0° | 176.0° |
| H9 | C15 | C16 | H20 | 159.5° | 55.9° |
| H10 | C17 | C16 | H19 | 170.8° | 179.9° |
| H10 | C17 | C16 | H20 | 51.3° | 60.0° |
| H10 | C17 | C18 | H21 | 175.1° | 180.0° |
| H10 | C17 | C18 | H22 | 66.2° | 60.0° |
| H11 | C17 | C16 | H19 | 52.6° | 60.0° |
| H11 | C17 | C16 | H20 | 66.9° | 180.0° |
| H11 | C17 | C18 | H21 | 56.9° | 60.0° |
| H11 | C17 | C18 | H22 | 175.6° | 180.0° |
| H12 | C22 | N6 | H30 | 57.2° | 168.9° |
| H13 | C22 | N6 | H30 | 176.3° | 49.4° |
| H14 | C24 | C25 | H26 | 0.1° | 0.0° |
| H15 | C11 | C12 | H17 | 165.3° | 174.6° |
| H15 | C11 | C12 | H18 | 47.0° | 65.4° |
| H16 | C11 | C12 | H17 | 76.0° | 54.6° |
| H16 | C11 | C12 | H18 | 165.8° | 174.6° |
| H21 | C18 | C19 | H23 | 177.4° | 175.2° |
| H22 | C18 | C19 | H23 | 63.8° | 64.8° |
| H23 | C19 | C23 | H24 | 165.9° | 50.0° |
| H23 | C19 | C23 | H25 | 46.3° | 170.6° |
| H24 | C23 | N6 | H30 | 171.5° | 67.5° |
| H25 | C23 | N6 | H30 | 68.9° | 171.9° |
| H28 | C9 | O3 | H38 | 58.8° | 57.4° |
