A1ASJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | CL1 | sing | 1.74Å | 1.74Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N2 | C8 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | doub | 1.28Å | 1.29Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | O1 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.54Å | 1.51Å | |
| C9 | N4 | sing | 1.48Å | 1.46Å | |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C16 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | O2 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.58Å | |
| C17 | N5 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C21 | sing | 1.53Å | 1.54Å | |
| N5 | C22 | sing | 1.35Å | 1.35Å | |
| C22 | O3 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | F1 | sing | 1.40Å | 1.34Å | |
| C23 | F2 | sing | 1.40Å | 1.33Å | |
| C23 | F3 | sing | 1.40Å | 1.33Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C5 | 123.3° | 120.8° |
| C1 | N1 | C2 | 118.7° | 121.7° |
| N1 | C1 | H1 | 118.4° | 119.5° |
| C1 | C5 | C4 | 117.1° | 119.2° |
| C1 | C5 | C6 | 120.8° | 120.4° |
| C5 | C1 | H1 | 118.3° | 119.6° |
| N1 | C2 | C3 | 121.8° | 120.8° |
| N1 | C2 | H2 | 119.1° | 119.6° |
| C2 | C3 | C4 | 119.5° | 119.2° |
| C2 | C3 | CL1 | 119.7° | 120.5° |
| C3 | C2 | H2 | 119.1° | 119.6° |
| C4 | C3 | CL1 | 120.8° | 120.4° |
| C3 | C4 | C5 | 119.6° | 118.4° |
| C3 | C4 | H3 | 120.2° | 120.8° |
| C4 | C5 | C6 | 122.0° | 120.4° |
| C5 | C4 | H3 | 120.2° | 120.8° |
| C5 | C6 | N2 | 103.6° | 109.5° |
| C5 | C6 | C7 | 114.1° | 109.5° |
| C5 | C6 | H4 | 109.1° | 109.5° |
| N2 | C6 | C7 | 111.2° | 109.5° |
| C6 | N2 | C8 | 129.3° | 120.0° |
| N2 | C6 | H4 | 109.9° | 109.5° |
| C6 | N2 | H5 | 115.3° | 120.0° |
| C6 | C7 | N3 | 126.5° | 120.0° |
| C7 | C6 | H4 | 108.9° | 109.4° |
| C6 | C7 | H6 | 116.8° | 120.0° |
| N2 | C8 | C9 | 111.1° | 120.0° |
| N2 | C8 | O1 | 126.0° | 120.0° |
| C8 | N2 | H5 | 115.3° | 120.0° |
| C7 | N3 | H7 | 112.0° | 120.0° |
| N3 | C7 | H6 | 116.8° | 119.9° |
| C9 | C8 | O1 | 122.9° | 120.0° |
| C8 | C9 | C10 | 113.9° | 110.4° |
| C8 | C9 | N4 | 112.4° | 110.4° |
| C8 | C9 | H8 | 109.0° | 110.3° |
| C10 | C9 | N4 | 102.1° | 104.6° |
| C9 | C10 | C11 | 109.2° | 105.0° |
| C9 | C10 | C13 | 123.1° | 118.1° |
| C9 | C10 | H9 | 116.9° | 118.2° |
| C10 | C9 | H8 | 109.2° | 110.4° |
| C9 | N4 | C12 | 111.9° | 104.3° |
| C9 | N4 | C16 | 115.6° | 127.9° |
| N4 | C9 | H8 | 110.0° | 110.5° |
| C11 | C10 | C13 | 60.3° | 59.7° |
| C10 | C11 | C12 | 106.2° | 105.0° |
| C10 | C11 | C13 | 60.3° | 59.7° |
| C11 | C10 | H9 | 116.8° | 121.8° |
| C10 | C11 | H10 | 118.2° | 121.8° |
| C10 | C13 | C11 | 59.4° | 60.5° |
| C10 | C13 | C14 | 129.6° | 117.4° |
| C10 | C13 | C15 | 108.8° | 117.5° |
| C13 | C10 | H9 | 116.6° | 119.5° |
| C12 | C11 | C13 | 121.2° | 118.2° |
| C11 | C12 | N4 | 102.9° | 104.6° |
| C12 | C11 | H10 | 117.9° | 117.6° |
| C11 | C12 | H11 | 111.1° | 110.4° |
| C11 | C12 | H12 | 111.1° | 110.4° |
| C11 | C13 | C14 | 119.3° | 117.4° |
| C11 | C13 | C15 | 126.5° | 117.4° |
| C13 | C11 | H10 | 118.0° | 120.2° |
| C12 | N4 | C16 | 132.5° | 127.8° |
| N4 | C12 | H11 | 111.1° | 110.5° |
| N4 | C12 | H12 | 111.1° | 110.4° |
| N4 | C16 | O2 | 117.8° | 120.0° |
| N4 | C16 | C17 | 122.2° | 120.0° |
| C14 | C13 | C15 | 107.4° | 115.5° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.4° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| O2 | C16 | C17 | 120.0° | 120.0° |
| C16 | C17 | C18 | 115.4° | 109.5° |
| C16 | C17 | N5 | 101.7° | 109.5° |
| C16 | C17 | H19 | 107.8° | 109.5° |
| C18 | C17 | N5 | 115.5° | 109.5° |
| C17 | C18 | C19 | 111.8° | 109.5° |
| C17 | C18 | C20 | 114.6° | 109.4° |
| C17 | C18 | C21 | 109.9° | 109.4° |
| C18 | C17 | H19 | 107.4° | 109.5° |
| C17 | N5 | C22 | 132.7° | 120.0° |
| N5 | C17 | H19 | 108.7° | 109.4° |
| C17 | N5 | H20 | 113.6° | 120.0° |
| C19 | C18 | C20 | 107.3° | 109.5° |
| C19 | C18 | C21 | 107.9° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.4° |
| C18 | C19 | H23 | 109.4° | 109.5° |
| C20 | C18 | C21 | 105.0° | 109.4° |
| C18 | C20 | H25 | 109.5° | 109.5° |
| C18 | C20 | H26 | 109.5° | 109.5° |
| C18 | C20 | H24 | 109.5° | 109.5° |
| C18 | C21 | H28 | 109.5° | 109.5° |
| C18 | C21 | H27 | 109.4° | 109.5° |
| C18 | C21 | H29 | 109.5° | 109.5° |
| N5 | C22 | O3 | 122.0° | 119.9° |
| N5 | C22 | C23 | 121.3° | 120.0° |
| C22 | N5 | H20 | 113.6° | 120.0° |
| O3 | C22 | C23 | 116.7° | 120.0° |
| C22 | C23 | F1 | 111.1° | 109.5° |
| C22 | C23 | F2 | 114.1° | 109.4° |
| C22 | C23 | F3 | 110.3° | 109.5° |
| F1 | C23 | F2 | 105.8° | 109.5° |
| F1 | C23 | F3 | 108.9° | 109.5° |
| F2 | C23 | F3 | 106.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H16 | 109.4° | 109.5° |
| H18 | C15 | H16 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.4° | 109.5° |
| H25 | C20 | H24 | 109.5° | 109.5° |
| H26 | C20 | H24 | 109.5° | 109.5° |
| H28 | C21 | H27 | 109.5° | 109.4° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 110.4° |
| H15 | C14 | H13 | 109.4° | 109.5° |
| H15 | C14 | H14 | 109.4° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C5 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 0.6° | 0.0° |
| N1 | C1 | C5 | C4 | 1.9° | 0.1° |
| N1 | C1 | C5 | C6 | 179.2° | 179.9° |
| C1 | N1 | C2 | H2 | 179.4° | 180.0° |
| C5 | C1 | N1 | C2 | 0.6° | 0.1° |
| C1 | C5 | C4 | C3 | 2.0° | 0.1° |
| C1 | C5 | C4 | C6 | 177.2° | 180.0° |
| C1 | C5 | C6 | N2 | 69.9° | 40.0° |
| C1 | C5 | C6 | C7 | 51.1° | 80.0° |
| C1 | C5 | C4 | H3 | 178.0° | 180.0° |
| C1 | C5 | C6 | H4 | 173.1° | 160.0° |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 0.4° | 0.0° |
| N1 | C2 | C3 | CL1 | 179.5° | 180.0° |
| C2 | N1 | C1 | H1 | 179.4° | 179.9° |
| C2 | C3 | C4 | CL1 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C2 | C3 | C4 | H3 | 179.1° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.3° | 179.9° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| CL1 | C3 | C4 | C5 | 179.1° | 179.9° |
| CL1 | C3 | C4 | H3 | 0.9° | 0.0° |
| CL1 | C3 | C2 | H2 | 0.5° | 0.0° |
| C4 | C5 | C6 | N2 | 107.2° | 140.0° |
| C4 | C5 | C6 | C7 | 131.8° | 100.0° |
| C4 | C5 | C6 | H4 | 9.8° | 19.9° |
| C4 | C5 | C1 | H1 | 178.1° | 179.9° |
| C5 | C6 | N2 | C7 | 123.0° | 120.0° |
| C5 | C6 | N2 | H4 | 116.4° | 120.0° |
| C5 | C6 | C7 | H4 | 122.1° | 120.0° |
| C5 | C6 | N2 | C8 | 152.9° | 155.0° |
| C5 | C6 | C7 | N3 | 90.5° | 120.0° |
| C6 | C5 | C4 | H3 | 0.7° | 0.0° |
| C5 | C6 | C7 | H6 | 89.5° | 60.0° |
| C6 | C5 | C1 | H1 | 0.8° | 0.1° |
| C5 | C6 | N2 | H5 | 27.1° | 25.0° |
| N2 | C6 | C7 | H4 | 121.2° | 120.0° |
| C6 | N2 | C8 | H5 | 180.0° | 180.0° |
| N2 | C6 | C7 | N3 | 152.8° | 0.0° |
| C6 | N2 | C8 | C9 | 179.2° | 179.9° |
| C6 | N2 | C8 | O1 | 1.0° | 0.0° |
| N2 | C6 | C7 | H6 | 27.2° | 180.0° |
| C7 | C6 | N2 | C8 | 84.1° | 85.0° |
| C6 | C7 | N3 | H6 | 180.0° | 180.0° |
| C6 | C7 | N3 | H7 | 0.0° | 0.1° |
| C7 | C6 | N2 | H5 | 95.8° | 95.0° |
| N2 | C8 | C9 | O1 | 179.9° | 180.0° |
| N2 | C8 | C9 | C10 | 139.6° | 80.0° |
| N2 | C8 | C9 | N4 | 104.8° | 164.8° |
| C8 | N2 | C6 | H4 | 36.5° | 35.0° |
| N2 | C8 | C9 | H8 | 17.4° | 42.4° |
| N3 | C7 | C6 | H4 | 31.6° | 120.0° |
| C8 | C9 | C10 | N4 | 121.5° | 118.8° |
| C8 | C9 | C10 | H8 | 122.1° | 122.3° |
| C8 | C9 | N4 | H8 | 121.6° | 122.3° |
| C8 | C9 | C10 | C11 | 104.8° | 95.0° |
| C8 | C9 | C10 | C13 | 171.2° | 158.3° |
| C8 | C9 | N4 | C12 | 94.4° | 79.2° |
| C8 | C9 | N4 | C16 | 87.0° | 100.8° |
| C8 | C9 | C10 | H9 | 30.6° | 44.8° |
| C9 | C8 | N2 | H5 | 0.8° | 0.0° |
| O1 | C8 | C9 | C10 | 40.2° | 100.0° |
| O1 | C8 | C9 | N4 | 75.3° | 15.2° |
| O1 | C8 | C9 | H8 | 162.5° | 137.7° |
| O1 | C8 | N2 | H5 | 179.0° | 180.0° |
| C10 | C9 | N4 | H8 | 115.9° | 118.9° |
| C9 | C10 | C11 | C13 | 117.8° | 114.1° |
| C9 | C10 | C11 | H9 | 135.4° | 137.9° |
| C9 | C10 | C13 | H9 | 158.3° | 156.7° |
| C9 | C10 | C11 | C12 | 0.7° | 0.1° |
| C10 | C9 | N4 | C12 | 28.1° | 39.6° |
| C10 | C9 | N4 | C16 | 150.5° | 140.4° |
| C9 | C10 | C13 | C14 | 9.9° | 16.1° |
| C9 | C10 | C13 | C15 | 143.6° | 160.9° |
| C9 | C10 | C11 | H10 | 134.3° | 136.9° |
| N4 | C9 | C10 | C11 | 16.7° | 23.8° |
| N4 | C9 | C10 | C13 | 49.7° | 39.5° |
| C9 | N4 | C12 | C11 | 27.9° | 39.6° |
| C9 | N4 | C12 | C16 | 178.3° | 180.0° |
| C9 | N4 | C16 | O2 | 0.5° | 4.1° |
| C9 | N4 | C16 | C17 | 178.7° | 175.8° |
| N4 | C9 | C10 | H9 | 152.1° | 163.5° |
| C9 | N4 | C12 | H11 | 91.0° | 79.2° |
| C9 | N4 | C12 | H12 | 146.9° | 158.4° |
| C11 | C10 | C13 | H9 | 107.2° | 111.8° |
| C10 | C11 | C12 | C13 | 64.7° | 63.4° |
| C10 | C11 | C12 | H10 | 135.2° | 139.0° |
| C10 | C11 | C13 | H10 | 108.2° | 111.5° |
| C10 | C11 | C12 | N4 | 15.4° | 23.9° |
| C11 | C10 | C13 | C14 | 104.4° | 107.6° |
| C11 | C10 | C13 | C15 | 121.9° | 107.6° |
| C10 | C11 | C12 | H11 | 103.6° | 94.9° |
| C10 | C11 | C12 | H12 | 134.3° | 142.7° |
| C11 | C10 | C9 | H8 | 133.1° | 142.7° |
| C10 | C13 | C14 | C15 | 134.2° | 145.5° |
| C10 | C13 | C15 | H17 | 180.0° | 60.0° |
| C10 | C13 | C15 | H18 | 60.0° | 180.0° |
| C10 | C13 | C15 | H16 | 60.0° | 60.0° |
| C10 | C13 | C14 | H15 | 180.0° | 59.9° |
| C10 | C13 | C14 | H13 | 60.0° | 179.9° |
| C10 | C13 | C14 | H14 | 60.0° | 60.0° |
| C13 | C10 | C9 | H8 | 66.7° | 79.4° |
| C12 | C11 | C13 | H10 | 160.1° | 157.0° |
| C11 | C12 | N4 | H11 | 118.9° | 118.8° |
| C11 | C12 | N4 | H12 | 119.0° | 118.7° |
| C11 | C12 | N4 | C16 | 150.3° | 140.4° |
| C12 | C11 | C13 | C14 | 29.5° | 16.1° |
| C12 | C11 | C13 | C15 | 176.7° | 160.8° |
| C12 | C11 | C10 | H9 | 136.1° | 137.8° |
| C11 | C12 | H11 | H12 | 123.1° | 122.4° |
| C13 | C11 | C12 | N4 | 49.3° | 39.4° |
| C11 | C13 | C14 | C15 | 152.8° | 145.3° |
| C11 | C13 | C15 | H17 | 114.6° | 129.2° |
| C11 | C13 | C15 | H18 | 5.4° | 110.8° |
| C11 | C13 | C15 | H16 | 125.4° | 9.3° |
| C13 | C11 | C12 | H11 | 168.3° | 158.3° |
| C13 | C11 | C12 | H12 | 69.6° | 79.3° |
| C11 | C13 | C14 | H15 | 107.0° | 9.3° |
| C11 | C13 | C14 | H13 | 133.0° | 110.7° |
| C11 | C13 | C14 | H14 | 13.0° | 129.2° |
| C12 | N4 | C16 | O2 | 178.8° | 175.9° |
| C12 | N4 | C16 | C17 | 0.5° | 4.1° |
| N4 | C12 | C11 | H10 | 150.6° | 163.0° |
| N4 | C12 | H11 | H12 | 123.0° | 122.5° |
| C12 | N4 | C9 | H8 | 144.0° | 158.5° |
| N4 | C16 | O2 | C17 | 179.3° | 180.0° |
| N4 | C16 | C17 | C18 | 119.3° | 87.9° |
| N4 | C16 | C17 | N5 | 114.9° | 152.1° |
| N4 | C16 | C17 | H19 | 0.6° | 32.2° |
| C16 | N4 | C12 | H11 | 90.7° | 100.8° |
| C16 | N4 | C12 | H12 | 31.4° | 21.7° |
| C16 | N4 | C9 | H8 | 34.6° | 21.6° |
| C14 | C13 | C10 | H9 | 148.4° | 140.6° |
| C14 | C13 | C15 | H17 | 35.7° | 85.4° |
| C14 | C13 | C15 | H18 | 155.7° | 34.5° |
| C14 | C13 | C15 | H16 | 84.3° | 154.6° |
| C14 | C13 | C11 | H10 | 130.6° | 140.9° |
| C13 | C14 | H15 | H13 | 120.0° | 120.0° |
| C13 | C14 | H15 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C15 | C13 | C10 | H9 | 14.7° | 4.2° |
| C13 | C15 | H17 | H18 | 120.0° | 120.0° |
| C13 | C15 | H17 | H16 | 120.0° | 120.0° |
| C13 | C15 | H18 | H16 | 120.0° | 120.0° |
| C15 | C13 | C11 | H10 | 16.6° | 3.8° |
| C15 | C13 | C14 | H15 | 45.8° | 154.6° |
| C15 | C13 | C14 | H13 | 74.1° | 34.6° |
| C15 | C13 | C14 | H14 | 165.8° | 85.5° |
| O2 | C16 | C17 | C18 | 61.4° | 92.1° |
| O2 | C16 | C17 | N5 | 64.4° | 27.9° |
| O2 | C16 | C17 | H19 | 178.6° | 147.9° |
| C16 | C17 | C18 | N5 | 118.4° | 120.0° |
| C16 | C17 | C18 | H19 | 120.2° | 120.0° |
| C16 | C17 | N5 | H19 | 113.6° | 120.0° |
| C16 | C17 | C18 | C19 | 167.4° | 56.9° |
| C16 | C17 | C18 | C20 | 70.3° | 63.1° |
| C16 | C17 | C18 | C21 | 47.6° | 177.0° |
| C16 | C17 | N5 | C22 | 111.0° | 155.0° |
| C16 | C17 | N5 | H20 | 69.0° | 25.0° |
| C18 | C17 | N5 | H19 | 120.7° | 120.0° |
| C17 | C18 | C19 | C20 | 126.4° | 120.0° |
| C17 | C18 | C19 | C21 | 121.0° | 120.0° |
| C17 | C18 | C20 | C21 | 120.7° | 119.9° |
| C18 | C17 | N5 | C22 | 123.3° | 85.0° |
| C17 | C18 | C20 | H25 | 180.0° | 56.0° |
| C17 | C18 | C20 | H26 | 60.0° | 176.0° |
| C17 | C18 | C20 | H24 | 60.0° | 63.9° |
| C17 | C18 | C21 | H28 | 180.0° | 60.0° |
| C17 | C18 | C21 | H27 | 60.0° | 180.0° |
| C17 | C18 | C21 | H29 | 60.0° | 60.0° |
| C17 | C18 | C19 | H21 | 180.0° | 60.0° |
| C17 | C18 | C19 | H22 | 60.0° | 179.9° |
| C17 | C18 | C19 | H23 | 60.0° | 60.0° |
| C18 | C17 | N5 | H20 | 56.7° | 95.0° |
| N5 | C17 | C18 | C19 | 74.3° | 63.0° |
| N5 | C17 | C18 | C20 | 48.1° | 176.9° |
| N5 | C17 | C18 | C21 | 166.0° | 57.0° |
| C17 | N5 | C22 | H20 | 180.0° | 180.0° |
| C17 | N5 | C22 | O3 | 178.9° | 0.0° |
| C17 | N5 | C22 | C23 | 2.6° | 180.0° |
| C19 | C18 | C20 | C21 | 114.6° | 120.0° |
| C19 | C18 | C17 | H19 | 47.1° | 177.0° |
| C19 | C18 | C20 | H25 | 55.3° | 176.1° |
| C19 | C18 | C20 | H26 | 64.7° | 63.9° |
| C19 | C18 | C20 | H24 | 175.3° | 56.1° |
| C19 | C18 | C21 | H28 | 57.9° | 60.0° |
| C19 | C18 | C21 | H27 | 177.9° | 60.0° |
| C19 | C18 | C21 | H29 | 62.1° | 180.0° |
| C18 | C19 | H21 | H22 | 120.0° | 119.9° |
| C18 | C19 | H21 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C20 | C18 | C17 | H19 | 169.5° | 56.9° |
| C18 | C20 | H25 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H24 | 120.0° | 120.0° |
| C18 | C20 | H26 | H24 | 120.0° | 120.0° |
| C20 | C18 | C21 | H28 | 56.3° | 180.0° |
| C20 | C18 | C21 | H27 | 63.7° | 60.1° |
| C20 | C18 | C21 | H29 | 176.3° | 60.0° |
| C20 | C18 | C19 | H21 | 53.6° | 60.0° |
| C20 | C18 | C19 | H22 | 173.6° | 59.9° |
| C20 | C18 | C19 | H23 | 66.4° | 180.0° |
| C21 | C18 | C17 | H19 | 72.6° | 63.0° |
| C21 | C18 | C20 | H25 | 59.3° | 63.9° |
| C21 | C18 | C20 | H26 | 179.3° | 56.1° |
| C21 | C18 | C20 | H24 | 60.7° | 176.1° |
| C18 | C21 | H28 | H27 | 120.0° | 120.0° |
| C18 | C21 | H28 | H29 | 120.0° | 120.0° |
| C18 | C21 | H27 | H29 | 120.0° | 120.0° |
| C21 | C18 | C19 | H21 | 59.0° | 180.0° |
| C21 | C18 | C19 | H22 | 61.0° | 60.1° |
| C21 | C18 | C19 | H23 | 179.0° | 60.0° |
| N5 | C22 | O3 | C23 | 178.6° | 180.0° |
| N5 | C22 | C23 | F1 | 176.0° | 180.0° |
| N5 | C22 | C23 | F2 | 64.5° | 60.0° |
| N5 | C22 | C23 | F3 | 55.3° | 60.0° |
| C22 | N5 | C17 | H19 | 2.6° | 35.0° |
| O3 | C22 | C23 | F1 | 2.5° | 0.0° |
| O3 | C22 | C23 | F2 | 116.9° | 120.0° |
| O3 | C22 | C23 | F3 | 123.3° | 120.0° |
| O3 | C22 | N5 | H20 | 1.1° | 180.0° |
| C22 | C23 | F1 | F2 | 124.3° | 120.0° |
| C22 | C23 | F1 | F3 | 121.6° | 120.0° |
| C22 | C23 | F2 | F3 | 121.9° | 119.9° |
| C23 | C22 | N5 | H20 | 177.4° | 0.0° |
| F1 | C23 | F2 | F3 | 115.7° | 120.1° |
| H7 | N3 | C7 | H6 | 180.0° | 179.9° |
| H4 | C6 | C7 | H6 | 148.4° | 60.0° |
| H4 | C6 | N2 | H5 | 143.5° | 145.0° |
| H9 | C10 | C11 | H10 | 1.1° | 1.0° |
| H9 | C10 | C9 | H8 | 91.5° | 77.5° |
| H17 | C15 | H18 | H16 | 120.0° | 120.1° |
| H19 | C17 | N5 | H20 | 177.4° | 145.0° |
| H25 | C20 | H26 | H24 | 120.0° | 120.0° |
| H28 | C21 | H27 | H29 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 31.6° | 44.1° |
| H10 | C11 | C12 | H12 | 90.5° | 78.3° |
| H15 | C14 | H13 | H14 | 120.0° | 120.0° |
| H21 | C19 | H22 | H23 | 120.0° | 120.1° |
