A1CRR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | C14 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.47Å | |
| C8 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | CL1 | sing | 1.74Å | 1.73Å | |
| C25 | N5 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| N5 | C30 | sing | 1.47Å | 1.47Å | |
| N5 | C15 | sing | 1.38Å | 1.39Å | |
| C13 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | sing | 1.56Å | 1.54Å | |
| C15 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | F1 | sing | 1.35Å | 1.34Å | |
| N6 | C26 | sing | 1.49Å | 1.51Å | |
| N6 | C29 | sing | 1.49Å | 1.51Å | |
| C12 | N4 | doub | 1.34Å | 1.34Å | Aromatic |
| C26 | C27 | sing | 1.55Å | 1.53Å | |
| C29 | C28 | sing | 1.55Å | 1.53Å | |
| N2 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C22 | N3 | sing | 1.48Å | 1.51Å | |
| C23 | C24 | sing | 1.56Å | 1.52Å | |
| N4 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C16 | O2 | sing | 1.35Å | 1.38Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| N3 | C18 | sing | 1.48Å | 1.54Å | |
| N3 | C21 | sing | 1.48Å | 1.51Å | |
| C17 | O2 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.54Å | 1.54Å | |
| C24 | C18 | sing | 1.54Å | 1.54Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | 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 | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.08Å | 1.08Å | |
| N6 | H34 | sing | 1.01Å | 1.00Å | |
| O1 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C9 | 117.7° | 119.9° |
| O1 | C1 | C2 | 121.6° | 120.0° |
| C1 | O1 | H36 | 109.5° | 114.0° |
| C9 | C1 | C2 | 120.1° | 120.0° |
| C1 | C9 | C8 | 121.2° | 119.9° |
| C1 | C9 | H33 | 119.4° | 120.1° |
| C1 | C2 | C3 | 118.4° | 120.2° |
| C1 | C2 | H23 | 120.8° | 119.9° |
| C9 | C8 | C10 | 115.1° | 120.2° |
| C9 | C8 | C4 | 119.5° | 119.8° |
| C8 | C9 | H33 | 119.4° | 120.1° |
| C2 | C3 | C4 | 123.2° | 120.2° |
| C2 | C3 | CL1 | 117.5° | 119.9° |
| C3 | C2 | H23 | 120.8° | 119.9° |
| C14 | N1 | C10 | 116.5° | 122.6° |
| N1 | C14 | C13 | 126.4° | 120.1° |
| N1 | C14 | H20 | 116.8° | 119.9° |
| N1 | C10 | C8 | 113.6° | 119.3° |
| N1 | C10 | C11 | 121.6° | 121.4° |
| C14 | C13 | C15 | 127.9° | 122.6° |
| C14 | C13 | C12 | 115.5° | 119.2° |
| C13 | C14 | H20 | 116.8° | 119.9° |
| C10 | C8 | C4 | 123.2° | 120.0° |
| C8 | C10 | C11 | 124.7° | 119.3° |
| C8 | C4 | C3 | 116.6° | 120.0° |
| C8 | C4 | C5 | 122.9° | 120.0° |
| C10 | C11 | C12 | 121.3° | 118.4° |
| C10 | C11 | F1 | 120.9° | 120.8° |
| C4 | C3 | CL1 | 119.3° | 119.9° |
| C3 | C4 | C5 | 118.8° | 120.0° |
| N5 | C25 | C26 | 110.0° | 109.0° |
| C25 | N5 | C30 | 118.0° | 111.7° |
| C25 | N5 | C15 | 122.3° | 111.0° |
| N5 | C25 | H26 | 109.3° | 109.6° |
| N5 | C25 | H27 | 109.3° | 109.6° |
| C25 | C26 | N6 | 105.7° | 107.6° |
| C25 | C26 | C27 | 112.2° | 107.6° |
| C25 | C26 | H17 | 111.6° | 112.3° |
| C26 | C25 | H26 | 109.4° | 109.5° |
| C26 | C25 | H27 | 109.3° | 109.5° |
| C30 | N5 | C15 | 116.9° | 111.0° |
| N5 | C30 | C29 | 110.8° | 109.1° |
| N5 | C30 | H31 | 109.2° | 109.6° |
| N5 | C30 | H32 | 109.1° | 109.4° |
| N5 | C15 | C13 | 125.1° | 120.9° |
| N5 | C15 | N2 | 115.3° | 120.9° |
| C15 | C13 | C12 | 116.5° | 118.2° |
| C13 | C15 | N2 | 119.6° | 118.2° |
| C13 | C12 | C11 | 118.6° | 118.2° |
| C13 | C12 | N4 | 122.5° | 119.0° |
| C4 | C5 | C6 | 123.0° | 117.5° |
| C4 | C5 | C7 | 118.7° | 117.5° |
| C4 | C5 | H2 | 114.7° | 115.5° |
| C30 | C29 | N6 | 106.0° | 106.7° |
| C30 | C29 | C28 | 112.4° | 107.0° |
| C30 | C29 | H30 | 111.7° | 113.6° |
| C29 | C30 | H31 | 109.1° | 109.6° |
| C29 | C30 | H32 | 109.2° | 109.6° |
| C15 | N2 | C16 | 118.0° | 121.6° |
| C12 | C11 | F1 | 117.8° | 120.8° |
| C11 | C12 | N4 | 118.8° | 122.8° |
| C26 | N6 | C29 | 103.1° | 102.9° |
| N6 | C26 | C27 | 103.3° | 104.0° |
| N6 | C26 | H17 | 112.0° | 112.5° |
| C26 | N6 | H34 | 111.0° | 111.0° |
| N6 | C29 | C28 | 102.3° | 104.0° |
| N6 | C29 | H30 | 112.2° | 112.4° |
| C29 | N6 | H34 | 111.1° | 111.0° |
| C12 | N4 | C16 | 116.8° | 120.3° |
| C26 | C27 | C28 | 105.2° | 104.7° |
| C27 | C26 | H17 | 111.6° | 112.4° |
| C26 | C27 | H28 | 110.5° | 110.4° |
| C26 | C27 | H29 | 110.5° | 110.4° |
| C29 | C28 | C27 | 105.7° | 104.7° |
| C29 | C28 | H18 | 110.4° | 110.4° |
| C29 | C28 | H19 | 110.4° | 110.4° |
| C28 | C29 | H30 | 111.8° | 112.4° |
| N2 | C16 | N4 | 125.5° | 122.8° |
| N2 | C16 | O2 | 118.8° | 118.6° |
| C23 | C22 | N3 | 105.1° | 104.7° |
| C22 | C23 | C24 | 104.8° | 101.3° |
| C23 | C22 | H13 | 110.6° | 110.4° |
| C23 | C22 | H14 | 110.5° | 110.4° |
| C22 | C23 | H24 | 110.6° | 111.0° |
| C22 | C23 | H25 | 110.6° | 111.0° |
| C22 | N3 | C18 | 108.5° | 108.3° |
| C22 | N3 | C21 | 115.9° | 109.7° |
| N3 | C22 | H13 | 110.6° | 110.4° |
| N3 | C22 | H14 | 110.6° | 110.4° |
| C23 | C24 | C18 | 104.2° | 102.8° |
| C23 | C24 | H15 | 110.7° | 109.8° |
| C23 | C24 | H16 | 110.8° | 111.9° |
| C24 | C23 | H24 | 110.6° | 110.6° |
| C24 | C23 | H25 | 110.6° | 111.7° |
| N4 | C16 | O2 | 115.7° | 118.6° |
| C6 | C5 | C7 | 59.1° | 60.0° |
| C5 | C6 | C7 | 60.4° | 60.0° |
| C6 | C5 | H2 | 115.0° | 117.5° |
| C5 | C6 | H3 | 119.9° | 117.5° |
| C5 | C6 | H4 | 119.9° | 117.5° |
| C5 | C7 | C6 | 60.6° | 60.0° |
| C7 | C5 | H2 | 115.0° | 117.5° |
| C5 | C7 | H5 | 119.9° | 117.5° |
| C5 | C7 | H6 | 119.9° | 117.5° |
| C16 | O2 | C17 | 111.8° | 117.0° |
| C7 | C6 | H3 | 120.0° | 117.4° |
| C7 | C6 | H4 | 119.9° | 117.5° |
| C6 | C7 | H5 | 119.9° | 117.5° |
| C6 | C7 | H6 | 119.9° | 117.5° |
| C18 | N3 | C21 | 108.8° | 108.4° |
| N3 | C18 | C17 | 106.8° | 110.9° |
| N3 | C18 | C24 | 103.8° | 107.3° |
| N3 | C18 | C19 | 105.3° | 107.3° |
| N3 | C21 | C20 | 105.4° | 104.9° |
| N3 | C21 | H11 | 110.5° | 110.3° |
| N3 | C21 | H12 | 110.5° | 110.4° |
| O2 | C17 | C18 | 105.7° | 109.5° |
| O2 | C17 | H7 | 110.4° | 109.5° |
| O2 | C17 | H8 | 110.4° | 109.5° |
| C17 | C18 | C24 | 114.0° | 110.8° |
| C17 | C18 | C19 | 110.5° | 110.8° |
| C18 | C17 | H7 | 110.4° | 109.4° |
| C18 | C17 | H8 | 110.4° | 109.4° |
| C27 | C28 | H18 | 110.4° | 110.4° |
| C27 | C28 | H19 | 110.4° | 110.4° |
| C28 | C27 | H28 | 110.5° | 110.3° |
| C28 | C27 | H29 | 110.5° | 110.4° |
| C24 | C18 | C19 | 115.5° | 109.7° |
| C18 | C24 | H15 | 110.8° | 110.7° |
| C18 | C24 | H16 | 110.7° | 110.7° |
| C18 | C19 | C20 | 105.5° | 103.0° |
| C18 | C19 | H21 | 110.5° | 110.7° |
| C18 | C19 | H22 | 110.5° | 110.7° |
| C21 | C20 | C19 | 106.8° | 101.7° |
| C21 | C20 | H9 | 110.1° | 111.0° |
| C21 | C20 | H10 | 110.2° | 111.0° |
| C20 | C21 | H11 | 110.5° | 110.3° |
| C20 | C21 | H12 | 110.5° | 110.4° |
| C19 | C20 | H9 | 110.2° | 111.0° |
| C19 | C20 | H10 | 110.2° | 111.0° |
| C20 | C19 | H21 | 110.4° | 110.7° |
| C20 | C19 | H22 | 110.5° | 110.7° |
| H3 | C6 | H4 | 109.5° | 115.6° |
| H5 | C7 | H6 | 109.4° | 115.6° |
| H7 | C17 | H8 | 109.4° | 109.5° |
| H9 | C20 | H10 | 109.5° | 110.8° |
| H11 | C21 | H12 | 109.5° | 110.4° |
| H13 | C22 | H14 | 109.5° | 110.4° |
| H15 | C24 | H16 | 109.5° | 110.6° |
| H18 | C28 | H19 | 109.5° | 110.3° |
| H21 | C19 | H22 | 109.4° | 110.8° |
| H24 | C23 | H25 | 109.5° | 110.9° |
| H26 | C25 | H27 | 109.5° | 109.6° |
| H28 | C27 | H29 | 109.5° | 110.5° |
| H31 | C30 | H32 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C9 | C2 | 170.6° | 179.8° |
| O1 | C1 | C9 | C8 | 179.7° | 180.0° |
| O1 | C1 | C2 | C3 | 179.7° | 180.0° |
| O1 | C1 | C2 | H23 | 0.3° | 0.3° |
| O1 | C1 | C9 | H33 | 0.3° | 0.3° |
| C1 | C9 | C8 | H33 | 180.0° | 179.7° |
| C9 | C1 | C2 | C3 | 9.5° | 0.2° |
| C1 | C9 | C8 | C10 | 162.3° | 180.0° |
| C1 | C9 | C8 | C4 | 1.3° | 0.0° |
| C9 | C1 | C2 | H23 | 170.5° | 180.0° |
| C9 | C1 | O1 | H36 | 180.0° | 90.0° |
| C2 | C1 | C9 | C8 | 9.7° | 0.3° |
| C1 | C2 | C3 | H23 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | CL1 | 179.5° | 180.0° |
| C2 | C1 | C9 | H33 | 170.3° | 179.9° |
| C2 | C1 | O1 | H36 | 9.5° | 89.7° |
| C9 | C8 | C10 | N1 | 58.9° | 136.2° |
| C9 | C8 | C10 | C4 | 163.0° | 179.9° |
| C9 | C8 | C10 | C11 | 118.1° | 43.8° |
| C9 | C8 | C4 | C3 | 6.7° | 0.2° |
| C9 | C8 | C4 | C5 | 171.8° | 180.0° |
| C2 | C3 | C4 | C8 | 7.0° | 0.3° |
| C2 | C3 | C4 | CL1 | 178.4° | 180.0° |
| C2 | C3 | C4 | C5 | 172.7° | 180.0° |
| N1 | C14 | C13 | H20 | 180.0° | 179.9° |
| C14 | N1 | C10 | C8 | 179.4° | 180.0° |
| C14 | N1 | C10 | C11 | 2.3° | 0.1° |
| N1 | C14 | C13 | C15 | 180.0° | 180.0° |
| N1 | C14 | C13 | C12 | 3.5° | 0.1° |
| C10 | N1 | C14 | C13 | 0.7° | 0.0° |
| N1 | C10 | C8 | C11 | 177.0° | 179.9° |
| N1 | C10 | C8 | C4 | 138.1° | 43.9° |
| N1 | C10 | C11 | C12 | 2.3° | 0.0° |
| N1 | C10 | C11 | F1 | 177.7° | 180.0° |
| C10 | N1 | C14 | H20 | 179.3° | 179.9° |
| C14 | C13 | C15 | N5 | 13.3° | 0.0° |
| C14 | C13 | C15 | C12 | 176.5° | 179.9° |
| C14 | C13 | C15 | N2 | 166.6° | 180.0° |
| C14 | C13 | C12 | C11 | 3.3° | 0.1° |
| C14 | C13 | C12 | N4 | 174.7° | 180.0° |
| C10 | C8 | C4 | C3 | 169.0° | 179.7° |
| C10 | C8 | C4 | C5 | 25.9° | 0.0° |
| C8 | C10 | C11 | C12 | 179.1° | 179.9° |
| C8 | C10 | C11 | F1 | 0.9° | 0.0° |
| C10 | C8 | C9 | H33 | 17.7° | 0.3° |
| C4 | C8 | C10 | C11 | 44.9° | 136.2° |
| C8 | C4 | C3 | C5 | 165.7° | 179.7° |
| C8 | C4 | C3 | CL1 | 171.4° | 179.7° |
| C8 | C4 | C5 | C6 | 33.6° | 61.5° |
| C8 | C4 | C5 | C7 | 103.6° | 130.2° |
| C8 | C4 | C5 | H2 | 114.9° | 84.1° |
| C4 | C8 | C9 | H33 | 178.7° | 179.7° |
| C10 | C11 | C12 | C13 | 0.7° | 0.1° |
| C10 | C11 | C12 | F1 | 180.0° | 180.0° |
| C10 | C11 | C12 | N4 | 177.3° | 180.0° |
| C3 | C4 | C5 | C6 | 131.1° | 118.2° |
| C3 | C4 | C5 | C7 | 61.2° | 49.6° |
| C3 | C4 | C5 | H2 | 80.4° | 96.1° |
| C4 | C3 | C2 | H23 | 178.9° | 179.7° |
| CL1 | C3 | C4 | C5 | 5.7° | 0.0° |
| CL1 | C3 | C2 | H23 | 0.5° | 0.3° |
| N5 | C25 | C26 | H26 | 120.1° | 119.8° |
| N5 | C25 | C26 | H27 | 120.1° | 119.9° |
| C25 | N5 | C30 | C15 | 161.4° | 124.4° |
| C25 | N5 | C15 | C13 | 38.3° | 116.8° |
| C25 | N5 | C30 | C29 | 42.6° | 55.1° |
| C25 | N5 | C15 | N2 | 141.7° | 63.2° |
| N5 | C25 | C26 | N6 | 58.7° | 63.9° |
| N5 | C25 | C26 | C27 | 53.2° | 47.7° |
| N5 | C25 | C26 | H17 | 179.3° | 171.9° |
| N5 | C25 | H26 | H27 | 119.7° | 120.3° |
| C25 | N5 | C30 | H31 | 77.6° | 175.0° |
| C25 | N5 | C30 | H32 | 162.8° | 64.8° |
| C26 | C25 | N5 | C30 | 43.7° | 55.3° |
| C26 | C25 | N5 | C15 | 116.7° | 69.1° |
| C25 | C26 | N6 | C27 | 118.0° | 114.0° |
| C25 | C26 | N6 | H17 | 121.8° | 124.2° |
| C25 | C26 | N6 | C29 | 75.2° | 71.2° |
| C25 | C26 | C27 | H17 | 126.1° | 124.2° |
| C25 | C26 | C27 | C28 | 89.1° | 87.9° |
| C26 | C25 | H26 | H27 | 119.8° | 120.2° |
| C25 | C26 | C27 | H28 | 30.3° | 30.8° |
| C25 | C26 | C27 | H29 | 151.6° | 153.2° |
| C25 | C26 | N6 | H34 | 165.8° | 170.0° |
| C30 | N5 | C15 | C13 | 161.1° | 118.4° |
| N5 | C30 | C29 | H31 | 120.2° | 119.9° |
| N5 | C30 | C29 | H32 | 120.2° | 119.8° |
| C30 | N5 | C15 | N2 | 18.8° | 61.6° |
| N5 | C30 | C29 | N6 | 56.3° | 63.1° |
| N5 | C30 | C29 | C28 | 54.6° | 47.8° |
| C30 | N5 | C25 | H26 | 163.8° | 64.5° |
| C30 | N5 | C25 | H27 | 76.4° | 175.2° |
| N5 | C30 | C29 | H30 | 178.8° | 172.4° |
| N5 | C30 | H31 | H32 | 119.4° | 120.1° |
| N5 | C15 | C13 | N2 | 179.9° | 180.0° |
| N5 | C15 | C13 | C12 | 170.2° | 180.0° |
| C15 | N5 | C30 | C29 | 118.8° | 69.3° |
| N5 | C15 | N2 | C16 | 168.6° | 180.0° |
| C15 | N5 | C25 | H26 | 3.4° | 171.1° |
| C15 | N5 | C25 | H27 | 123.3° | 50.8° |
| C15 | N5 | C30 | H31 | 121.0° | 50.6° |
| C15 | N5 | C30 | H32 | 1.4° | 170.8° |
| C15 | C13 | C12 | C11 | 179.8° | 180.0° |
| C15 | C13 | C12 | N4 | 2.2° | 0.1° |
| C13 | C15 | N2 | C16 | 11.4° | 0.0° |
| C15 | C13 | C14 | H20 | 0.0° | 0.1° |
| C12 | C13 | C15 | N2 | 9.9° | 0.0° |
| C13 | C12 | C11 | N4 | 178.1° | 179.9° |
| C13 | C12 | C11 | F1 | 179.3° | 180.0° |
| C13 | C12 | N4 | C16 | 3.6° | 0.1° |
| C12 | C13 | C14 | H20 | 176.5° | 180.0° |
| C4 | C5 | C6 | C7 | 106.2° | 107.5° |
| C4 | C5 | C6 | H2 | 148.4° | 144.9° |
| C4 | C5 | C7 | H2 | 141.4° | 145.0° |
| C4 | C5 | C6 | H3 | 3.3° | 0.1° |
| C4 | C5 | C6 | H4 | 144.2° | 145.0° |
| C4 | C5 | C7 | H5 | 137.1° | 145.0° |
| C4 | C5 | C7 | H6 | 3.7° | 0.0° |
| C30 | C29 | N6 | C26 | 73.7° | 70.2° |
| C30 | C29 | N6 | C28 | 117.9° | 113.0° |
| C30 | C29 | N6 | H30 | 122.2° | 125.2° |
| C30 | C29 | C28 | H30 | 126.6° | 125.3° |
| C30 | C29 | C28 | C27 | 84.8° | 86.8° |
| C30 | C29 | C28 | H18 | 155.8° | 32.0° |
| C30 | C29 | C28 | H19 | 34.6° | 154.3° |
| C29 | C30 | H31 | H32 | 119.4° | 120.3° |
| C30 | C29 | N6 | H34 | 167.3° | 171.0° |
| C15 | N2 | C16 | N4 | 5.5° | 0.0° |
| C15 | N2 | C16 | O2 | 174.7° | 180.0° |
| C11 | C12 | N4 | C16 | 174.4° | 180.0° |
| F1 | C11 | C12 | N4 | 2.7° | 0.1° |
| C26 | N6 | C29 | H34 | 119.0° | 118.8° |
| N6 | C26 | C27 | H17 | 120.5° | 121.9° |
| C26 | N6 | C29 | C28 | 44.2° | 42.8° |
| N6 | C26 | C27 | C28 | 24.3° | 26.0° |
| N6 | C26 | C25 | H26 | 178.8° | 56.0° |
| N6 | C26 | C25 | H27 | 61.3° | 176.2° |
| N6 | C26 | C27 | H28 | 143.6° | 144.7° |
| N6 | C26 | C27 | H29 | 95.0° | 92.9° |
| C26 | N6 | C29 | H30 | 164.1° | 164.7° |
| C29 | N6 | C26 | C27 | 42.8° | 42.8° |
| N6 | C29 | C28 | H30 | 120.2° | 121.9° |
| N6 | C29 | C28 | C27 | 28.4° | 25.9° |
| C29 | N6 | C26 | H17 | 163.1° | 164.7° |
| N6 | C29 | C28 | H18 | 91.0° | 144.8° |
| N6 | C29 | C28 | H19 | 147.8° | 92.9° |
| N6 | C29 | C30 | H31 | 63.9° | 176.9° |
| N6 | C29 | C30 | H32 | 176.5° | 56.6° |
| C12 | N4 | C16 | N2 | 2.1° | 0.0° |
| C12 | N4 | C16 | O2 | 177.7° | 180.0° |
| C26 | C27 | C28 | C29 | 2.6° | 0.1° |
| C26 | C27 | C28 | H28 | 119.3° | 118.7° |
| C26 | C27 | C28 | H29 | 119.3° | 118.8° |
| C26 | C27 | C28 | H18 | 116.8° | 118.8° |
| C26 | C27 | C28 | H19 | 122.0° | 118.9° |
| C27 | C26 | C25 | H26 | 66.9° | 167.5° |
| C27 | C26 | C25 | H27 | 173.2° | 72.2° |
| C26 | C27 | H28 | H29 | 122.0° | 122.4° |
| C27 | C26 | N6 | H34 | 76.1° | 76.0° |
| C29 | C28 | C27 | H18 | 119.4° | 118.8° |
| C29 | C28 | C27 | H19 | 119.4° | 118.9° |
| C29 | C28 | H18 | H19 | 121.8° | 122.4° |
| C29 | C28 | C27 | H28 | 116.7° | 118.8° |
| C29 | C28 | C27 | H29 | 121.9° | 118.8° |
| C28 | C29 | C30 | H31 | 174.8° | 72.2° |
| C28 | C29 | C30 | H32 | 65.6° | 167.5° |
| C28 | C29 | N6 | H34 | 74.8° | 76.1° |
| N2 | C16 | N4 | O2 | 179.9° | 180.0° |
| N2 | C16 | O2 | C17 | 14.4° | 180.0° |
| C23 | C22 | N3 | H13 | 119.3° | 118.9° |
| C23 | C22 | N3 | H14 | 119.3° | 118.8° |
| C22 | C23 | C24 | H24 | 119.2° | 117.8° |
| C22 | C23 | C24 | H25 | 119.2° | 118.2° |
| C23 | C22 | N3 | C18 | 10.4° | 25.5° |
| C23 | C22 | N3 | C21 | 133.1° | 92.7° |
| C22 | C23 | C24 | C18 | 37.7° | 36.4° |
| C23 | C22 | H13 | H14 | 122.0° | 122.4° |
| C22 | C23 | C24 | H15 | 156.8° | 154.3° |
| C22 | C23 | C24 | H16 | 81.5° | 82.5° |
| C22 | C23 | H24 | H25 | 122.1° | 123.9° |
| N3 | C22 | C23 | C24 | 29.6° | 38.3° |
| C22 | N3 | C18 | C21 | 126.9° | 119.0° |
| C22 | N3 | C18 | C17 | 108.3° | 119.3° |
| C22 | N3 | C18 | C24 | 12.4° | 1.8° |
| C22 | N3 | C18 | C19 | 134.2° | 119.6° |
| C22 | N3 | C21 | C20 | 111.9° | 141.9° |
| C22 | N3 | C21 | H11 | 7.5° | 23.0° |
| C22 | N3 | C21 | H12 | 128.8° | 99.2° |
| N3 | C22 | H13 | H14 | 122.1° | 122.3° |
| N3 | C22 | C23 | H24 | 89.7° | 155.8° |
| N3 | C22 | C23 | H25 | 148.8° | 80.4° |
| C23 | C24 | C18 | N3 | 30.5° | 22.3° |
| C23 | C24 | C18 | C17 | 85.3° | 143.4° |
| C23 | C24 | C18 | H15 | 119.1° | 117.3° |
| C23 | C24 | C18 | H16 | 119.2° | 119.7° |
| C23 | C24 | C18 | C19 | 145.1° | 94.0° |
| C24 | C23 | C22 | H13 | 89.8° | 80.5° |
| C24 | C23 | C22 | H14 | 148.9° | 157.1° |
| C23 | C24 | H15 | H16 | 122.4° | 124.0° |
| C24 | C23 | H24 | H25 | 122.2° | 124.5° |
| N4 | C16 | O2 | C17 | 165.5° | 0.0° |
| C6 | C5 | C7 | H2 | 105.3° | 107.5° |
| C5 | C6 | C7 | H3 | 109.6° | 107.5° |
| C5 | C6 | C7 | H4 | 109.6° | 107.5° |
| C5 | C6 | H3 | H4 | 144.5° | 145.8° |
| C6 | C5 | C7 | H5 | 109.6° | 107.5° |
| C6 | C5 | C7 | H6 | 109.6° | 107.5° |
| C5 | C7 | H5 | H6 | 144.5° | 145.7° |
| C16 | O2 | C17 | C18 | 163.9° | 180.0° |
| C16 | O2 | C17 | H7 | 76.6° | 60.0° |
| C16 | O2 | C17 | H8 | 44.5° | 60.0° |
| C7 | C6 | H3 | H4 | 144.6° | 145.7° |
| C6 | C7 | H5 | H6 | 144.4° | 145.7° |
| N3 | C18 | C17 | O2 | 60.0° | 180.0° |
| N3 | C18 | C17 | C24 | 114.0° | 119.0° |
| N3 | C18 | C17 | C19 | 113.9° | 119.0° |
| N3 | C18 | C24 | C19 | 114.7° | 116.2° |
| C18 | N3 | C21 | C20 | 10.7° | 23.8° |
| N3 | C18 | C19 | C20 | 22.5° | 22.6° |
| N3 | C18 | C17 | H7 | 179.4° | 60.0° |
| N3 | C18 | C17 | H8 | 59.5° | 60.0° |
| C18 | N3 | C21 | H11 | 130.1° | 95.0° |
| C18 | N3 | C21 | H12 | 108.7° | 142.7° |
| C18 | N3 | C22 | H13 | 108.9° | 93.4° |
| C18 | N3 | C22 | H14 | 129.7° | 144.3° |
| N3 | C18 | C24 | H15 | 149.6° | 139.5° |
| N3 | C18 | C24 | H16 | 88.7° | 97.5° |
| N3 | C18 | C19 | H21 | 96.9° | 95.7° |
| N3 | C18 | C19 | H22 | 141.9° | 141.0° |
| C21 | N3 | C18 | C17 | 124.8° | 121.7° |
| C21 | N3 | C18 | C24 | 114.5° | 117.2° |
| C21 | N3 | C18 | C19 | 7.3° | 0.6° |
| N3 | C21 | C20 | H11 | 119.4° | 118.8° |
| N3 | C21 | C20 | H12 | 119.4° | 118.9° |
| N3 | C21 | C20 | C19 | 25.0° | 37.1° |
| N3 | C21 | C20 | H9 | 94.6° | 155.2° |
| N3 | C21 | C20 | H10 | 144.6° | 81.1° |
| N3 | C21 | H11 | H12 | 121.8° | 122.3° |
| C21 | N3 | C22 | H13 | 13.7° | 148.4° |
| C21 | N3 | C22 | H14 | 107.7° | 26.1° |
| O2 | C17 | C18 | H7 | 119.4° | 120.0° |
| O2 | C17 | C18 | H8 | 119.4° | 120.0° |
| O2 | C17 | C18 | C24 | 174.0° | 61.0° |
| O2 | C17 | C18 | C19 | 54.0° | 61.0° |
| O2 | C17 | H7 | H8 | 121.7° | 120.0° |
| C17 | C18 | C24 | C19 | 129.6° | 122.7° |
| C17 | C18 | C19 | C20 | 137.4° | 98.5° |
| C18 | C17 | H7 | H8 | 121.7° | 119.9° |
| C17 | C18 | C24 | H15 | 33.8° | 99.3° |
| C17 | C18 | C24 | H16 | 155.5° | 23.7° |
| C17 | C18 | C19 | H21 | 18.0° | 143.1° |
| C17 | C18 | C19 | H22 | 103.3° | 19.8° |
| C28 | C27 | C26 | H17 | 144.8° | 147.9° |
| C27 | C28 | H18 | H19 | 121.7° | 122.3° |
| C28 | C27 | H28 | H29 | 122.0° | 122.4° |
| C27 | C28 | C29 | H30 | 148.6° | 147.8° |
| C24 | C18 | C19 | C20 | 91.4° | 138.8° |
| C24 | C18 | C17 | H7 | 66.6° | 179.0° |
| C24 | C18 | C17 | H8 | 54.6° | 59.0° |
| C18 | C24 | H15 | H16 | 122.4° | 123.1° |
| C24 | C18 | C19 | H21 | 149.2° | 20.5° |
| C24 | C18 | C19 | H22 | 28.0° | 102.8° |
| C18 | C24 | C23 | H24 | 81.6° | 154.1° |
| C18 | C24 | C23 | H25 | 156.9° | 81.9° |
| C18 | C19 | C20 | C21 | 29.8° | 35.8° |
| C18 | C19 | C20 | H21 | 119.4° | 118.3° |
| C18 | C19 | C20 | H22 | 119.4° | 118.4° |
| C19 | C18 | C17 | H7 | 65.5° | 59.0° |
| C19 | C18 | C17 | H8 | 173.4° | 178.9° |
| C18 | C19 | C20 | H9 | 89.8° | 153.9° |
| C18 | C19 | C20 | H10 | 149.3° | 82.3° |
| C19 | C18 | C24 | H15 | 95.7° | 23.3° |
| C19 | C18 | C24 | H16 | 25.9° | 146.3° |
| C18 | C19 | H21 | H22 | 121.8° | 123.3° |
| C21 | C20 | C19 | H9 | 119.6° | 118.1° |
| C21 | C20 | C19 | H10 | 119.6° | 118.1° |
| C21 | C20 | H9 | H10 | 121.2° | 123.8° |
| C20 | C21 | H11 | H12 | 121.9° | 122.3° |
| C21 | C20 | C19 | H21 | 89.6° | 82.5° |
| C21 | C20 | C19 | H22 | 149.1° | 154.2° |
| C19 | C20 | H9 | H10 | 121.3° | 123.9° |
| C19 | C20 | C21 | H11 | 144.3° | 81.8° |
| C19 | C20 | C21 | H12 | 94.4° | 155.9° |
| C20 | C19 | H21 | H22 | 121.8° | 123.2° |
| H2 | C5 | C6 | H3 | 145.1° | 145.0° |
| H2 | C5 | C6 | H4 | 4.2° | 0.1° |
| H2 | C5 | C7 | H5 | 4.4° | 0.0° |
| H2 | C5 | C7 | H6 | 145.1° | 145.1° |
| H3 | C6 | C7 | H5 | 140.8° | 145.0° |
| H3 | C6 | C7 | H6 | 0.1° | 0.0° |
| H4 | C6 | C7 | H5 | 0.1° | 0.0° |
| H4 | C6 | C7 | H6 | 140.8° | 145.0° |
| H9 | C20 | C21 | H11 | 24.8° | 36.4° |
| H9 | C20 | C21 | H12 | 146.0° | 85.9° |
| H9 | C20 | C19 | H21 | 150.8° | 35.6° |
| H9 | C20 | C19 | H22 | 29.6° | 87.7° |
| H10 | C20 | C21 | H11 | 96.1° | 160.1° |
| H10 | C20 | C21 | H12 | 25.2° | 37.8° |
| H10 | C20 | C19 | H21 | 30.0° | 159.4° |
| H10 | C20 | C19 | H22 | 91.3° | 36.1° |
| H13 | C22 | C23 | H24 | 151.0° | 36.9° |
| H13 | C22 | C23 | H25 | 29.5° | 160.8° |
| H14 | C22 | C23 | H24 | 29.6° | 85.4° |
| H14 | C22 | C23 | H25 | 91.9° | 38.4° |
| H15 | C24 | C23 | H24 | 37.6° | 88.0° |
| H15 | C24 | C23 | H25 | 83.9° | 36.0° |
| H16 | C24 | C23 | H24 | 159.3° | 35.3° |
| H16 | C24 | C23 | H25 | 37.8° | 159.3° |
| H17 | C26 | C25 | H26 | 59.2° | 68.3° |
| H17 | C26 | C25 | H27 | 60.6° | 52.0° |
| H17 | C26 | C27 | H28 | 95.9° | 93.4° |
| H17 | C26 | C27 | H29 | 25.5° | 29.1° |
| H17 | C26 | N6 | H34 | 44.1° | 45.9° |
| H18 | C28 | C27 | H28 | 123.8° | 0.0° |
| H18 | C28 | C27 | H29 | 2.5° | 122.4° |
| H18 | C28 | C29 | H30 | 29.2° | 93.3° |
| H19 | C28 | C27 | H28 | 2.7° | 122.3° |
| H19 | C28 | C27 | H29 | 118.7° | 0.1° |
| H19 | C28 | C29 | H30 | 92.0° | 29.0° |
| H30 | C29 | C30 | H31 | 58.5° | 52.5° |
| H30 | C29 | C30 | H32 | 61.1° | 67.8° |
| H30 | C29 | N6 | H34 | 45.1° | 45.8° |
