A1IC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C24 | sing | 1.74Å | 1.71Å | |
| N8 | C24 | sing | 1.35Å | 1.33Å | Aromatic |
| N8 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C24 | N9 | doub | 1.31Å | 1.35Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.37Å | Aromatic |
| N9 | C22 | sing | 1.34Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C21 | O10 | sing | 1.43Å | 1.42Å | |
| C21 | C19 | sing | 1.53Å | 1.54Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| O5 | C11 | sing | 1.43Å | 1.43Å | |
| O7 | C18 | doub | 1.21Å | 1.24Å | |
| C11 | C7 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C19 | N7 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C18 | N7 | sing | 1.35Å | 1.34Å | |
| C18 | C13 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| C16 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | N6 | sing | 1.34Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C13 | N4 | sing | 1.46Å | 1.46Å | |
| O9 | C20 | doub | 1.21Å | 1.25Å | |
| N5 | C17 | sing | 1.35Å | 1.33Å | Aromatic |
| C20 | O8 | sing | 1.34Å | 1.26Å | |
| N6 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | C12 | sing | 1.35Å | 1.34Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | O4 | doub | 1.21Å | 1.24Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| C12 | C5 | sing | 1.51Å | 1.53Å | |
| C12 | O6 | doub | 1.21Å | 1.24Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.45Å | 1.46Å | |
| C1 | O2 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 1.01Å | 1.00Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| O5 | H22 | sing | 0.97Å | 0.95Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| O8 | H32 | sing | 0.97Å | 0.95Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| O10 | H34 | sing | 0.97Å | 0.95Å | |
| C23 | H35 | sing | 1.08Å | 1.08Å | |
| N8 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C24 | N8 | 126.3° | 125.7° |
| CL1 | C24 | N9 | 123.4° | 125.7° |
| C24 | N8 | C23 | 106.3° | 107.2° |
| N8 | C24 | N9 | 110.3° | 108.7° |
| C24 | N8 | H36 | 126.8° | 126.4° |
| N8 | C23 | C22 | 109.3° | 106.8° |
| N8 | C23 | H35 | 125.3° | 126.6° |
| C23 | N8 | H36 | 126.9° | 126.4° |
| C24 | N9 | C22 | 108.4° | 109.3° |
| C23 | C22 | N9 | 105.6° | 108.0° |
| C23 | C22 | C21 | 129.9° | 126.0° |
| C22 | C23 | H35 | 125.3° | 126.6° |
| N9 | C22 | C21 | 124.4° | 126.0° |
| C22 | C21 | O10 | 109.4° | 109.5° |
| C22 | C21 | C19 | 112.6° | 109.5° |
| C22 | C21 | H33 | 108.4° | 109.5° |
| C10 | C9 | C8 | 110.4° | 109.3° |
| C9 | C10 | C11 | 111.6° | 109.1° |
| C10 | C9 | H8 | 109.2° | 109.5° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.6° |
| C9 | C10 | H11 | 108.9° | 109.5° |
| C9 | C8 | N3 | 110.0° | 109.5° |
| C9 | C8 | H1 | 109.3° | 109.5° |
| C9 | C8 | H2 | 109.3° | 109.4° |
| C8 | C9 | H8 | 109.2° | 109.5° |
| C8 | C9 | H9 | 109.3° | 109.5° |
| C10 | C11 | O5 | 110.5° | 109.5° |
| C10 | C11 | C7 | 113.7° | 109.2° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H11 | 108.9° | 109.5° |
| C10 | C11 | H12 | 107.8° | 109.5° |
| O10 | C21 | C19 | 109.0° | 109.5° |
| O10 | C21 | H33 | 109.5° | 109.5° |
| C21 | O10 | H34 | 109.5° | 114.0° |
| C21 | C19 | N7 | 110.8° | 109.4° |
| C21 | C19 | C20 | 111.4° | 109.5° |
| C21 | C19 | H31 | 107.8° | 109.5° |
| C19 | C21 | H33 | 108.0° | 109.5° |
| C8 | N3 | C7 | 112.5° | 111.2° |
| N3 | C8 | H1 | 109.4° | 109.4° |
| N3 | C8 | H2 | 109.3° | 109.4° |
| C8 | N3 | H4 | 108.7° | 111.0° |
| O5 | C11 | C7 | 108.1° | 109.5° |
| O5 | C11 | H12 | 109.0° | 109.5° |
| C11 | O5 | H22 | 109.5° | 114.0° |
| O7 | C18 | N7 | 122.8° | 120.0° |
| O7 | C18 | C13 | 120.3° | 120.0° |
| C11 | C7 | N3 | 111.0° | 109.6° |
| C11 | C7 | C6 | 112.0° | 109.5° |
| C7 | C11 | H12 | 107.6° | 109.5° |
| C11 | C7 | H21 | 107.2° | 109.5° |
| C15 | C14 | C13 | 111.7° | 109.5° |
| C14 | C15 | C16 | 129.7° | 126.0° |
| C14 | C15 | N6 | 121.4° | 126.0° |
| C15 | C14 | H24 | 108.9° | 109.5° |
| C15 | C14 | H25 | 108.9° | 109.5° |
| C14 | C13 | C18 | 110.5° | 109.5° |
| C14 | C13 | N4 | 107.1° | 109.5° |
| C14 | C13 | H23 | 108.1° | 109.5° |
| C13 | C14 | H24 | 108.9° | 109.4° |
| C13 | C14 | H25 | 108.9° | 109.4° |
| N7 | C19 | C20 | 110.2° | 109.5° |
| C19 | N7 | C18 | 124.5° | 120.0° |
| C19 | N7 | H30 | 117.8° | 120.0° |
| N7 | C19 | H31 | 108.8° | 109.5° |
| C19 | C20 | O9 | 116.8° | 120.0° |
| C19 | C20 | O8 | 117.9° | 120.0° |
| C20 | C19 | H31 | 107.8° | 109.5° |
| N3 | C7 | C6 | 111.1° | 109.4° |
| C7 | N3 | H4 | 108.7° | 111.0° |
| N3 | C7 | H21 | 108.1° | 109.5° |
| N7 | C18 | C13 | 116.9° | 120.0° |
| C18 | N7 | H30 | 117.7° | 120.0° |
| C18 | C13 | N4 | 113.9° | 109.5° |
| C18 | C13 | H23 | 108.1° | 109.5° |
| C15 | C16 | N5 | 106.8° | 106.8° |
| C16 | C15 | N6 | 108.8° | 108.0° |
| C15 | C16 | H26 | 126.6° | 126.6° |
| C16 | N5 | C17 | 107.0° | 107.3° |
| N5 | C16 | H26 | 126.6° | 126.6° |
| C16 | N5 | H27 | 126.5° | 126.4° |
| C15 | N6 | C17 | 105.8° | 109.3° |
| C7 | C6 | N2 | 116.1° | 120.0° |
| C7 | C6 | O4 | 121.5° | 120.0° |
| C6 | C7 | H21 | 107.3° | 109.4° |
| C13 | N4 | C12 | 122.2° | 120.0° |
| C13 | N4 | H6 | 118.9° | 120.0° |
| N4 | C13 | H23 | 109.0° | 109.4° |
| O9 | C20 | O8 | 125.3° | 120.0° |
| N5 | C17 | N6 | 111.6° | 108.6° |
| C17 | N5 | H27 | 126.5° | 126.4° |
| N5 | C17 | H28 | 124.2° | 125.7° |
| C20 | O8 | H32 | 109.5° | 117.0° |
| N6 | C17 | H28 | 124.2° | 125.7° |
| N4 | C12 | C5 | 116.6° | 120.0° |
| N4 | C12 | O6 | 123.5° | 120.0° |
| C12 | N4 | H6 | 118.9° | 120.0° |
| N2 | C6 | O4 | 122.3° | 120.0° |
| C6 | N2 | C5 | 122.2° | 120.0° |
| C6 | N2 | H7 | 118.9° | 120.0° |
| N2 | C5 | C12 | 113.4° | 109.5° |
| N2 | C5 | C4 | 109.9° | 109.5° |
| N2 | C5 | H3 | 108.8° | 109.4° |
| C5 | N2 | H7 | 118.9° | 120.0° |
| C5 | C12 | O6 | 119.9° | 120.0° |
| C12 | C5 | C4 | 108.8° | 109.5° |
| C12 | C5 | H3 | 107.9° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C4 | C5 | H3 | 107.9° | 109.5° |
| C5 | C4 | H19 | 108.8° | 109.5° |
| C5 | C4 | H20 | 108.8° | 109.5° |
| N1 | C1 | O2 | 115.1° | 120.0° |
| N1 | C1 | O1 | 124.3° | 119.9° |
| C1 | N1 | H13 | 120.0° | 120.0° |
| C1 | N1 | H14 | 120.0° | 120.0° |
| C4 | C3 | C2 | 110.7° | 109.5° |
| C4 | C3 | O3 | 110.7° | 109.5° |
| C4 | C3 | H17 | 108.3° | 109.5° |
| C3 | C4 | H19 | 108.8° | 109.5° |
| C3 | C4 | H20 | 108.8° | 109.4° |
| C2 | C3 | O3 | 109.1° | 109.4° |
| C3 | C2 | O2 | 106.9° | 109.5° |
| C3 | C2 | H15 | 110.1° | 109.5° |
| C3 | C2 | H16 | 110.1° | 109.5° |
| C2 | C3 | H17 | 108.4° | 109.5° |
| O3 | C3 | H17 | 109.5° | 109.4° |
| C3 | O3 | H18 | 109.5° | 114.0° |
| C2 | O2 | C1 | 120.9° | 117.0° |
| O2 | C2 | H15 | 110.1° | 109.5° |
| O2 | C2 | H16 | 110.1° | 109.5° |
| O2 | C1 | O1 | 120.5° | 120.0° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.6° |
| H13 | N1 | H14 | 120.0° | 120.0° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H19 | C4 | H20 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C24 | N8 | N9 | 179.9° | 179.7° |
| CL1 | C24 | N8 | C23 | 179.8° | 180.0° |
| CL1 | C24 | N9 | C22 | 180.0° | 179.9° |
| CL1 | C24 | N8 | H36 | 0.2° | 0.3° |
| C24 | N8 | C23 | H36 | 180.0° | 179.7° |
| C24 | N8 | C23 | C22 | 0.2° | 0.0° |
| N8 | C24 | N9 | C22 | 0.1° | 0.5° |
| C24 | N8 | C23 | H35 | 179.8° | 180.0° |
| C23 | N8 | C24 | N9 | 0.1° | 0.3° |
| N8 | C23 | C22 | H35 | 180.0° | 180.0° |
| N8 | C23 | C22 | N9 | 0.3° | 0.3° |
| N8 | C23 | C22 | C21 | 178.8° | 180.0° |
| C24 | N9 | C22 | C23 | 0.2° | 0.5° |
| C24 | N9 | C22 | C21 | 178.9° | 179.8° |
| N9 | C24 | N8 | H36 | 180.0° | 180.0° |
| C23 | C22 | N9 | C21 | 178.6° | 179.7° |
| C23 | C22 | C21 | O10 | 147.1° | 5.0° |
| C23 | C22 | C21 | C19 | 91.5° | 125.0° |
| C23 | C22 | C21 | H33 | 27.8° | 114.9° |
| C22 | C23 | N8 | H36 | 179.8° | 179.7° |
| N9 | C22 | C21 | O10 | 31.2° | 175.3° |
| N9 | C22 | C21 | C19 | 90.2° | 55.3° |
| N9 | C22 | C21 | H33 | 150.4° | 64.7° |
| N9 | C22 | C23 | H35 | 179.7° | 179.7° |
| C22 | C21 | O10 | C19 | 123.5° | 120.0° |
| C22 | C21 | O10 | H33 | 118.6° | 120.0° |
| C22 | C21 | C19 | H33 | 119.6° | 120.0° |
| C22 | C21 | C19 | N7 | 60.4° | 55.0° |
| C22 | C21 | C19 | C20 | 176.6° | 175.0° |
| C22 | C21 | C19 | H31 | 58.5° | 65.0° |
| C22 | C21 | O10 | H34 | 180.0° | 59.9° |
| C21 | C22 | C23 | H35 | 1.2° | 0.0° |
| C10 | C9 | C8 | H8 | 120.1° | 119.9° |
| C10 | C9 | C8 | H9 | 120.2° | 120.0° |
| C9 | C10 | C11 | H10 | 120.3° | 120.0° |
| C9 | C10 | C11 | H11 | 120.3° | 119.9° |
| C10 | C9 | C8 | N3 | 59.8° | 59.2° |
| C9 | C10 | C11 | O5 | 74.6° | 62.3° |
| C9 | C10 | C11 | C7 | 47.2° | 57.7° |
| C10 | C9 | C8 | H1 | 179.9° | 60.8° |
| C10 | C9 | C8 | H2 | 60.2° | 179.2° |
| C10 | C9 | H8 | H9 | 119.5° | 120.1° |
| C9 | C10 | H10 | H11 | 119.0° | 120.2° |
| C9 | C10 | C11 | H12 | 166.3° | 177.6° |
| C8 | C9 | C10 | C11 | 52.7° | 57.7° |
| C9 | C8 | N3 | H1 | 120.1° | 120.1° |
| C9 | C8 | N3 | H2 | 120.1° | 119.9° |
| C9 | C8 | N3 | C7 | 62.1° | 61.8° |
| C9 | C8 | H1 | H2 | 119.8° | 120.0° |
| C9 | C8 | N3 | H4 | 58.4° | 62.3° |
| C8 | C9 | H8 | H9 | 119.6° | 120.1° |
| C8 | C9 | C10 | H10 | 67.6° | 62.2° |
| C8 | C9 | C10 | H11 | 173.1° | 177.6° |
| C10 | C11 | O5 | C7 | 125.0° | 119.8° |
| C10 | C11 | O5 | H12 | 118.3° | 120.1° |
| C10 | C11 | C7 | H12 | 119.3° | 119.9° |
| C10 | C11 | C7 | N3 | 47.7° | 59.2° |
| C10 | C11 | C7 | C6 | 172.6° | 179.2° |
| C11 | C10 | C9 | H8 | 67.4° | 177.6° |
| C11 | C10 | C9 | H9 | 172.9° | 62.3° |
| C11 | C10 | H10 | H11 | 119.1° | 120.1° |
| C10 | C11 | C7 | H21 | 70.0° | 60.9° |
| C10 | C11 | O5 | H22 | 180.0° | 60.1° |
| O10 | C21 | C19 | H33 | 118.8° | 120.0° |
| O10 | C21 | C19 | N7 | 61.1° | 65.0° |
| O10 | C21 | C19 | C20 | 61.8° | 55.0° |
| O10 | C21 | C19 | H31 | 179.9° | 175.0° |
| C21 | C19 | N7 | C20 | 123.7° | 120.0° |
| C21 | C19 | N7 | H31 | 118.3° | 119.9° |
| C21 | C19 | C20 | H31 | 118.1° | 120.0° |
| C21 | C19 | N7 | C18 | 106.1° | 155.0° |
| C21 | C19 | C20 | O9 | 63.0° | 119.9° |
| C21 | C19 | C20 | O8 | 117.3° | 60.0° |
| C21 | C19 | N7 | H30 | 73.9° | 25.0° |
| C19 | C21 | O10 | H34 | 56.5° | 60.0° |
| C8 | N3 | C7 | C11 | 55.1° | 61.8° |
| C8 | N3 | C7 | H4 | 120.5° | 124.1° |
| C8 | N3 | C7 | C6 | 179.6° | 178.3° |
| N3 | C8 | H1 | H2 | 119.8° | 119.9° |
| N3 | C8 | C9 | H8 | 60.3° | 179.1° |
| N3 | C8 | C9 | H9 | 180.0° | 60.8° |
| C8 | N3 | C7 | H21 | 62.2° | 58.3° |
| O5 | C11 | C7 | H12 | 117.6° | 120.1° |
| O5 | C11 | C7 | N3 | 75.4° | 60.7° |
| O5 | C11 | C7 | C6 | 49.5° | 59.2° |
| O5 | C11 | C10 | H10 | 165.1° | 177.8° |
| O5 | C11 | C10 | H11 | 45.7° | 57.6° |
| O5 | C11 | C7 | H21 | 166.8° | 179.2° |
| O7 | C18 | C13 | C14 | 43.6° | 120.0° |
| O7 | C18 | N7 | C19 | 7.2° | 0.0° |
| O7 | C18 | N7 | C13 | 179.0° | 179.9° |
| O7 | C18 | C13 | N4 | 164.2° | 0.1° |
| O7 | C18 | C13 | H23 | 74.6° | 120.0° |
| O7 | C18 | N7 | H30 | 172.8° | 180.0° |
| C11 | C7 | N3 | C6 | 125.3° | 120.0° |
| C11 | C7 | N3 | H21 | 117.2° | 120.1° |
| C11 | C7 | C6 | H21 | 117.3° | 120.0° |
| C11 | C7 | C6 | N2 | 51.5° | 80.0° |
| C11 | C7 | C6 | O4 | 126.9° | 100.1° |
| C11 | C7 | N3 | H4 | 65.4° | 62.3° |
| C7 | C11 | C10 | H10 | 73.1° | 62.3° |
| C7 | C11 | C10 | H11 | 167.5° | 177.6° |
| C7 | C11 | O5 | H22 | 54.9° | 179.9° |
| C15 | C14 | C13 | H24 | 120.3° | 120.0° |
| C15 | C14 | C13 | H25 | 120.3° | 120.1° |
| C15 | C14 | C13 | C18 | 173.0° | 175.0° |
| C14 | C15 | C16 | N6 | 177.6° | 179.7° |
| C14 | C15 | C16 | N5 | 178.9° | 179.9° |
| C15 | C14 | C13 | N4 | 48.4° | 65.0° |
| C14 | C15 | N6 | C17 | 179.2° | 179.9° |
| C15 | C14 | C13 | H23 | 68.9° | 55.0° |
| C15 | C14 | H24 | H25 | 118.9° | 120.1° |
| C14 | C15 | C16 | H26 | 1.1° | 0.1° |
| C14 | C13 | C18 | N7 | 137.3° | 60.0° |
| C14 | C13 | C18 | N4 | 120.6° | 120.0° |
| C14 | C13 | C18 | H23 | 118.1° | 120.0° |
| C13 | C14 | C15 | C16 | 96.2° | 125.3° |
| C13 | C14 | C15 | N6 | 81.2° | 55.1° |
| C14 | C13 | N4 | H23 | 116.7° | 119.9° |
| C14 | C13 | N4 | C12 | 136.1° | 84.9° |
| C14 | C13 | N4 | H6 | 43.9° | 95.0° |
| C13 | C14 | H24 | H25 | 119.0° | 119.9° |
| N7 | C19 | C20 | H31 | 118.6° | 120.0° |
| C19 | N7 | C18 | H30 | 180.0° | 180.0° |
| C19 | N7 | C18 | C13 | 171.8° | 180.0° |
| N7 | C19 | C20 | O9 | 173.7° | 0.1° |
| N7 | C19 | C20 | O8 | 6.0° | 180.0° |
| N7 | C19 | C21 | H33 | 180.0° | 175.0° |
| C20 | C19 | N7 | C18 | 130.2° | 85.0° |
| C19 | C20 | O9 | O8 | 179.7° | 179.9° |
| C20 | C19 | N7 | H30 | 49.8° | 95.0° |
| C19 | C20 | O8 | H32 | 179.7° | 180.0° |
| C20 | C19 | C21 | H33 | 57.0° | 65.0° |
| N3 | C7 | C6 | H21 | 117.9° | 120.0° |
| N3 | C7 | C6 | N2 | 176.3° | 160.0° |
| N3 | C7 | C6 | O4 | 2.1° | 20.0° |
| C7 | N3 | C8 | H1 | 177.9° | 58.3° |
| C7 | N3 | C8 | H2 | 58.0° | 178.3° |
| N3 | C7 | C11 | H12 | 167.0° | 179.2° |
| N7 | C18 | C13 | N4 | 16.7° | 180.0° |
| N7 | C18 | C13 | H23 | 104.5° | 60.0° |
| C18 | N7 | C19 | H31 | 12.2° | 35.1° |
| C18 | C13 | N4 | H23 | 120.8° | 120.0° |
| C18 | C13 | N4 | C12 | 101.3° | 155.0° |
| C18 | C13 | N4 | H6 | 78.7° | 25.0° |
| C18 | C13 | C14 | H24 | 66.7° | 64.9° |
| C18 | C13 | C14 | H25 | 52.7° | 55.0° |
| C13 | C18 | N7 | H30 | 8.2° | 0.0° |
| C15 | C16 | N5 | H26 | 180.0° | 180.0° |
| C15 | C16 | N5 | C17 | 0.8° | 0.0° |
| C16 | C15 | N6 | C17 | 1.3° | 0.4° |
| C16 | C15 | C14 | H24 | 143.5° | 5.3° |
| C16 | C15 | C14 | H25 | 24.2° | 114.7° |
| C15 | C16 | N5 | H27 | 179.2° | 180.0° |
| N5 | C16 | C15 | N6 | 1.3° | 0.2° |
| C16 | N5 | C17 | H27 | 180.0° | 180.0° |
| C16 | N5 | C17 | N6 | 0.0° | 0.3° |
| C16 | N5 | C17 | H28 | 180.0° | 180.0° |
| C15 | N6 | C17 | N5 | 0.8° | 0.4° |
| N6 | C15 | C14 | H24 | 39.2° | 175.0° |
| N6 | C15 | C14 | H25 | 158.5° | 65.0° |
| N6 | C15 | C16 | H26 | 178.7° | 179.8° |
| C15 | N6 | C17 | H28 | 179.2° | 179.8° |
| C7 | C6 | N2 | O4 | 178.4° | 180.0° |
| C7 | C6 | N2 | C5 | 167.6° | 180.0° |
| C6 | C7 | N3 | H4 | 59.9° | 57.7° |
| C7 | C6 | N2 | H7 | 12.4° | 0.0° |
| C6 | C7 | C11 | H12 | 68.1° | 60.9° |
| C13 | N4 | C12 | H6 | 180.0° | 180.0° |
| C13 | N4 | C12 | C5 | 175.1° | 180.0° |
| C13 | N4 | C12 | O6 | 4.8° | 0.0° |
| N4 | C13 | C14 | H24 | 168.7° | 55.1° |
| N4 | C13 | C14 | H25 | 72.0° | 175.0° |
| O9 | C20 | C19 | H31 | 55.1° | 120.1° |
| O9 | C20 | O8 | H32 | 0.0° | 0.1° |
| N5 | C17 | N6 | H28 | 180.0° | 179.7° |
| C17 | N5 | C16 | H26 | 179.2° | 180.0° |
| O8 | C20 | C19 | H31 | 124.6° | 60.0° |
| N6 | C17 | N5 | H27 | 180.0° | 179.8° |
| N4 | C12 | C5 | N2 | 30.6° | 180.0° |
| N4 | C12 | C5 | O6 | 179.9° | 180.0° |
| N4 | C12 | C5 | C4 | 92.0° | 60.0° |
| N4 | C12 | C5 | H3 | 151.2° | 60.1° |
| C12 | N4 | C13 | H23 | 19.4° | 35.0° |
| C6 | N2 | C5 | H7 | 180.0° | 180.0° |
| C6 | N2 | C5 | C12 | 62.7° | 155.0° |
| C6 | N2 | C5 | C4 | 175.4° | 85.0° |
| C6 | N2 | C5 | H3 | 57.4° | 35.0° |
| N2 | C6 | C7 | H21 | 65.8° | 40.0° |
| O4 | C6 | N2 | C5 | 10.8° | 0.0° |
| O4 | C6 | N2 | H7 | 169.2° | 180.0° |
| O4 | C6 | C7 | H21 | 115.8° | 140.0° |
| N2 | C5 | C12 | C4 | 122.6° | 120.0° |
| N2 | C5 | C12 | H3 | 120.6° | 119.9° |
| N2 | C5 | C12 | O6 | 149.4° | 0.0° |
| N2 | C5 | C4 | H3 | 118.6° | 120.0° |
| N2 | C5 | C4 | C3 | 68.1° | 65.0° |
| N2 | C5 | C4 | H19 | 52.3° | 55.0° |
| N2 | C5 | C4 | H20 | 171.6° | 175.0° |
| C12 | C5 | C4 | H3 | 116.8° | 120.0° |
| C12 | C5 | C4 | C3 | 167.3° | 175.0° |
| C5 | C12 | N4 | H6 | 4.9° | 0.1° |
| C12 | C5 | N2 | H7 | 117.3° | 25.0° |
| C12 | C5 | C4 | H19 | 72.4° | 65.0° |
| C12 | C5 | C4 | H20 | 46.9° | 55.0° |
| O6 | C12 | C5 | C4 | 88.0° | 120.0° |
| O6 | C12 | C5 | H3 | 28.8° | 120.0° |
| O6 | C12 | N4 | H6 | 175.2° | 180.0° |
| C5 | C4 | C3 | H19 | 120.4° | 120.0° |
| C5 | C4 | C3 | H20 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 178.6° | 175.0° |
| C5 | C4 | C3 | O3 | 57.5° | 65.0° |
| C4 | C5 | N2 | H7 | 4.6° | 95.0° |
| C5 | C4 | C3 | H17 | 62.6° | 55.0° |
| C5 | C4 | H19 | H20 | 118.8° | 120.0° |
| N1 | C1 | O2 | C2 | 11.9° | 179.9° |
| N1 | C1 | O2 | O1 | 176.2° | 179.9° |
| C1 | N1 | H13 | H14 | 180.0° | 179.9° |
| C4 | C3 | C2 | O3 | 122.1° | 120.0° |
| C4 | C3 | C2 | H17 | 118.7° | 120.0° |
| C4 | C3 | O3 | H17 | 119.4° | 120.0° |
| C4 | C3 | C2 | O2 | 172.9° | 175.0° |
| C3 | C4 | C5 | H3 | 50.5° | 55.0° |
| C4 | C3 | C2 | H15 | 53.3° | 65.0° |
| C4 | C3 | C2 | H16 | 67.5° | 55.0° |
| C4 | C3 | O3 | H18 | 180.0° | 60.0° |
| C3 | C4 | H19 | H20 | 118.8° | 120.0° |
| C2 | C3 | O3 | H17 | 118.6° | 119.9° |
| C3 | C2 | O2 | H15 | 119.6° | 120.0° |
| C3 | C2 | O2 | H16 | 119.6° | 120.0° |
| C3 | C2 | O2 | C1 | 112.6° | 180.0° |
| C3 | C2 | H15 | H16 | 121.2° | 120.0° |
| C2 | C3 | O3 | H18 | 57.9° | 60.0° |
| C2 | C3 | C4 | H19 | 61.0° | 55.0° |
| C2 | C3 | C4 | H20 | 58.3° | 65.0° |
| O3 | C3 | C2 | O2 | 65.0° | 65.0° |
| O3 | C3 | C2 | H15 | 175.4° | 55.0° |
| O3 | C3 | C2 | H16 | 54.6° | 175.0° |
| O3 | C3 | C4 | H19 | 177.9° | 175.0° |
| O3 | C3 | C4 | H20 | 62.9° | 55.0° |
| C2 | O2 | C1 | O1 | 164.3° | 0.0° |
| O2 | C2 | H15 | H16 | 121.2° | 120.0° |
| O2 | C2 | C3 | H17 | 54.2° | 55.0° |
| O2 | C1 | N1 | H13 | 176.0° | 0.1° |
| O2 | C1 | N1 | H14 | 4.0° | 180.0° |
| C1 | O2 | C2 | H15 | 7.0° | 60.0° |
| C1 | O2 | C2 | H16 | 127.8° | 60.0° |
| O1 | C1 | N1 | H13 | 0.0° | 180.0° |
| O1 | C1 | N1 | H14 | 180.0° | 0.1° |
| H1 | C8 | N3 | H4 | 61.7° | 177.6° |
| H1 | C8 | C9 | H8 | 59.8° | 59.1° |
| H1 | C8 | C9 | H9 | 59.9° | 179.2° |
| H2 | C8 | N3 | H4 | 178.5° | 57.6° |
| H2 | C8 | C9 | H8 | 179.6° | 60.9° |
| H2 | C8 | C9 | H9 | 59.9° | 59.2° |
| H3 | C5 | N2 | H7 | 122.6° | 145.0° |
| H3 | C5 | C4 | H19 | 170.9° | 175.0° |
| H3 | C5 | C4 | H20 | 69.9° | 65.0° |
| H4 | N3 | C7 | H21 | 177.4° | 177.6° |
| H6 | N4 | C13 | H23 | 160.6° | 145.0° |
| H8 | C9 | C10 | H10 | 172.3° | 57.7° |
| H8 | C9 | C10 | H11 | 52.9° | 62.5° |
| H9 | C9 | C10 | H10 | 52.6° | 177.8° |
| H9 | C9 | C10 | H11 | 66.8° | 57.6° |
| H10 | C10 | C11 | H12 | 46.0° | 57.7° |
| H11 | C10 | C11 | H12 | 73.4° | 62.5° |
| H12 | C11 | C7 | H21 | 49.2° | 59.1° |
| H12 | C11 | O5 | H22 | 61.7° | 60.1° |
| H15 | C2 | C3 | H17 | 65.3° | 174.9° |
| H16 | C2 | C3 | H17 | 173.9° | 65.0° |
| H17 | C3 | O3 | H18 | 60.6° | 180.0° |
| H17 | C3 | C4 | H19 | 57.7° | 65.0° |
| H17 | C3 | C4 | H20 | 177.0° | 175.0° |
| H23 | C13 | C14 | H24 | 51.4° | 175.0° |
| H23 | C13 | C14 | H25 | 170.8° | 65.1° |
| H26 | C16 | N5 | H27 | 0.8° | 0.0° |
| H27 | N5 | C17 | H28 | 0.0° | 0.0° |
| H30 | N7 | C19 | H31 | 167.8° | 145.0° |
| H31 | C19 | C21 | H33 | 61.1° | 55.0° |
| H33 | C21 | O10 | H34 | 61.4° | 179.9° |
| H35 | C23 | N8 | H36 | 0.2° | 0.3° |
