9ES
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C2 | N | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N | C5 | sing | 1.47Å | 1.49Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | C25 | doub | 1.21Å | 1.21Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.40Å | 1.42Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | N7 | sing | 1.35Å | 1.31Å | |
| C28 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C28 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| N7 | C24 | sing | 1.40Å | 1.36Å | |
| C24 | C9 | doub | 1.39Å | 1.48Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.38Å | |
| C14 | N5 | sing | 1.46Å | 1.45Å | |
| N2 | C10 | sing | 1.39Å | 1.33Å | |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C12 | sing | 1.39Å | 1.43Å | |
| N5 | C15 | sing | 1.35Å | 1.40Å | |
| C12 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C13 | doub | 1.32Å | 1.31Å | Aromatic |
| O | C15 | doub | 1.22Å | 1.21Å | |
| C15 | N6 | sing | 1.35Å | 1.35Å | |
| N3 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| CL | C17 | sing | 1.74Å | 1.75Å | |
| N6 | C16 | sing | 1.40Å | 1.35Å | |
| C17 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| O1 | C18 | sing | 1.36Å | 1.37Å | |
| O1 | C19 | sing | 1.43Å | 1.44Å | |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | CL1 | sing | 1.74Å | 1.73Å | |
| C23 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.36Å | Aromatic |
| C21 | O2 | sing | 1.36Å | 1.36Å | |
| O2 | C22 | sing | 1.43Å | 1.41Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| C7 | H31 | sing | 1.08Å | 1.08Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C20 | H34 | sing | 1.08Å | 1.08Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 111.2° | 109.5° |
| C | C1 | H25 | 109.0° | 109.5° |
| C | C1 | H26 | 109.0° | 109.5° |
| C1 | C | H27 | 109.5° | 109.5° |
| C1 | C | H28 | 109.4° | 109.5° |
| C1 | C | H29 | 109.5° | 109.4° |
| C1 | N | C2 | 110.7° | 111.0° |
| C1 | N | C5 | 111.6° | 111.0° |
| N | C1 | H25 | 109.0° | 109.5° |
| N | C1 | H26 | 109.0° | 109.4° |
| N | C2 | C3 | 112.4° | 109.4° |
| C2 | N | C5 | 113.1° | 110.9° |
| N | C2 | H1 | 108.7° | 109.5° |
| N | C2 | H2 | 108.7° | 109.5° |
| C2 | C3 | N1 | 109.6° | 109.4° |
| C3 | C2 | H1 | 108.7° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| C2 | C3 | H4 | 109.4° | 109.5° |
| N | C5 | C4 | 112.1° | 109.4° |
| N | C5 | H7 | 108.8° | 109.5° |
| N | C5 | H8 | 108.8° | 109.5° |
| C3 | N1 | C4 | 118.5° | 110.8° |
| C3 | N1 | C6 | 119.1° | 111.0° |
| N1 | C3 | H3 | 109.4° | 109.5° |
| N1 | C3 | H4 | 109.5° | 109.4° |
| O3 | C25 | C26 | 119.7° | 120.0° |
| O3 | C25 | N7 | 125.8° | 120.0° |
| C5 | C4 | N1 | 105.5° | 109.4° |
| C5 | C4 | H5 | 110.5° | 109.5° |
| C5 | C4 | H6 | 110.5° | 109.5° |
| C4 | C5 | H7 | 108.8° | 109.5° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| C4 | N1 | C6 | 122.4° | 111.0° |
| N1 | C4 | H5 | 110.5° | 109.5° |
| N1 | C4 | H6 | 110.5° | 109.4° |
| N1 | C6 | C28 | 121.2° | 120.0° |
| N1 | C6 | C7 | 118.8° | 120.0° |
| C26 | C25 | N7 | 114.4° | 120.0° |
| C25 | C26 | C27 | 113.2° | 109.5° |
| C25 | C26 | H17 | 108.6° | 109.5° |
| C25 | C26 | H18 | 108.6° | 109.5° |
| C25 | N7 | C24 | 131.0° | 120.0° |
| C25 | N7 | H22 | 114.5° | 120.0° |
| C6 | C28 | C24 | 121.4° | 119.9° |
| C28 | C6 | C7 | 119.9° | 120.0° |
| C6 | C28 | H23 | 119.3° | 120.0° |
| C28 | C24 | N7 | 129.9° | 120.0° |
| C28 | C24 | C9 | 117.9° | 119.9° |
| C24 | C28 | H23 | 119.3° | 120.1° |
| C6 | C7 | C8 | 119.8° | 120.1° |
| C6 | C7 | H31 | 120.1° | 119.9° |
| C27 | C26 | H17 | 108.5° | 109.5° |
| C27 | C26 | H18 | 108.5° | 109.4° |
| C26 | C27 | H19 | 109.5° | 109.4° |
| C26 | C27 | H20 | 109.5° | 109.5° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| N7 | C24 | C9 | 112.2° | 120.1° |
| C24 | N7 | H22 | 114.5° | 120.0° |
| C24 | C9 | C8 | 118.2° | 119.9° |
| C24 | C9 | N2 | 117.2° | 120.0° |
| C7 | C8 | C9 | 122.7° | 120.1° |
| C7 | C8 | H30 | 118.6° | 120.0° |
| C8 | C7 | H31 | 120.1° | 120.0° |
| C8 | C9 | N2 | 123.7° | 120.0° |
| C9 | C8 | H30 | 118.7° | 119.9° |
| C9 | N2 | C10 | 124.9° | 120.0° |
| C9 | N2 | H32 | 117.6° | 120.0° |
| C14 | N5 | C12 | 112.9° | 120.0° |
| C14 | N5 | C15 | 125.6° | 120.0° |
| N5 | C14 | H11 | 109.5° | 109.5° |
| N5 | C14 | H12 | 109.5° | 109.5° |
| N5 | C14 | H13 | 109.5° | 109.5° |
| N2 | C10 | C11 | 126.0° | 120.6° |
| N2 | C10 | N4 | 111.3° | 120.4° |
| C10 | N2 | H32 | 117.6° | 120.0° |
| C10 | C11 | C12 | 118.5° | 118.3° |
| C11 | C10 | N4 | 122.6° | 119.0° |
| C10 | C11 | H9 | 120.8° | 120.8° |
| C11 | C12 | N5 | 125.8° | 120.4° |
| C11 | C12 | N3 | 114.6° | 119.1° |
| C12 | C11 | H9 | 120.7° | 120.9° |
| C10 | N4 | C13 | 117.8° | 120.8° |
| C12 | N5 | C15 | 121.5° | 119.9° |
| N5 | C12 | N3 | 119.5° | 120.5° |
| N5 | C15 | O | 121.7° | 120.0° |
| N5 | C15 | N6 | 116.8° | 119.9° |
| C12 | N3 | C13 | 126.2° | 120.8° |
| N4 | C13 | N3 | 120.2° | 122.0° |
| N4 | C13 | H10 | 119.9° | 119.1° |
| O | C15 | N6 | 121.4° | 120.0° |
| C15 | N6 | C16 | 126.5° | 120.0° |
| C15 | N6 | H33 | 116.8° | 120.0° |
| N3 | C13 | H10 | 119.9° | 119.0° |
| CL | C17 | C16 | 118.8° | 120.0° |
| CL | C17 | C18 | 119.0° | 120.0° |
| N6 | C16 | C17 | 126.3° | 120.0° |
| N6 | C16 | C23 | 120.0° | 120.1° |
| C16 | N6 | H33 | 116.8° | 120.1° |
| C16 | C17 | C18 | 122.0° | 120.0° |
| C17 | C16 | C23 | 112.1° | 119.9° |
| C17 | C18 | O1 | 115.7° | 120.0° |
| C17 | C18 | C20 | 121.0° | 120.0° |
| C16 | C23 | CL1 | 116.1° | 120.0° |
| C16 | C23 | C21 | 126.3° | 120.0° |
| C18 | O1 | C19 | 122.1° | 117.0° |
| O1 | C18 | C20 | 123.3° | 120.0° |
| O1 | C19 | H35 | 109.5° | 109.4° |
| O1 | C19 | H36 | 109.5° | 109.5° |
| O1 | C19 | H37 | 109.5° | 109.5° |
| C18 | C20 | C21 | 120.6° | 120.1° |
| C18 | C20 | H34 | 119.7° | 119.9° |
| CL1 | C23 | C21 | 117.4° | 120.0° |
| C23 | C21 | C20 | 117.7° | 120.0° |
| C23 | C21 | O2 | 116.1° | 120.0° |
| C20 | C21 | O2 | 126.3° | 120.0° |
| C21 | C20 | H34 | 119.7° | 120.0° |
| C21 | O2 | C22 | 124.5° | 117.0° |
| O2 | C22 | H14 | 109.5° | 109.4° |
| O2 | C22 | H15 | 109.5° | 109.5° |
| O2 | C22 | H16 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.6° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.4° |
| H11 | C14 | H13 | 109.4° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.4° | 109.5° |
| H14 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H19 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.5° |
| H27 | C | H29 | 109.5° | 109.5° |
| H28 | C | H29 | 109.5° | 109.4° |
| H35 | C19 | H36 | 109.4° | 109.5° |
| H35 | C19 | H37 | 109.5° | 109.5° |
| H36 | C19 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H25 | 120.3° | 120.0° |
| C | C1 | N | H26 | 120.3° | 120.0° |
| C | C1 | N | C2 | 147.8° | 170.0° |
| C | C1 | N | C5 | 85.3° | 66.2° |
| C | C1 | H25 | H26 | 119.2° | 120.1° |
| C1 | C | H27 | H28 | 120.0° | 120.1° |
| C1 | C | H27 | H29 | 120.0° | 120.0° |
| C1 | C | H28 | H29 | 120.0° | 120.0° |
| C1 | N | C2 | C5 | 126.1° | 123.8° |
| C1 | N | C2 | C3 | 164.1° | 176.8° |
| C1 | N | C5 | C4 | 104.7° | 176.8° |
| C1 | N | C2 | H1 | 75.5° | 63.2° |
| C1 | N | C2 | H2 | 43.6° | 56.9° |
| C1 | N | C5 | H7 | 15.7° | 56.9° |
| C1 | N | C5 | H8 | 134.9° | 63.2° |
| N | C1 | H25 | H26 | 119.2° | 119.9° |
| N | C1 | C | H27 | 180.0° | 60.0° |
| N | C1 | C | H28 | 60.0° | 60.1° |
| N | C1 | C | H29 | 60.0° | 180.0° |
| N | C2 | C3 | H1 | 120.4° | 120.0° |
| N | C2 | C3 | H2 | 120.4° | 119.9° |
| N | C2 | C3 | N1 | 54.1° | 58.5° |
| C2 | N | C5 | C4 | 20.9° | 59.3° |
| N | C2 | H1 | H2 | 118.6° | 120.0° |
| N | C2 | C3 | H3 | 65.9° | 61.6° |
| N | C2 | C3 | H4 | 174.1° | 178.4° |
| C2 | N | C5 | H7 | 141.3° | 179.3° |
| C2 | N | C5 | H8 | 99.5° | 60.7° |
| C2 | N | C1 | H25 | 27.6° | 70.0° |
| C2 | N | C1 | H26 | 91.9° | 50.0° |
| C3 | C2 | N | C5 | 38.0° | 59.3° |
| C2 | C3 | N1 | H3 | 120.0° | 120.0° |
| C2 | C3 | N1 | H4 | 120.0° | 120.0° |
| C2 | C3 | N1 | C4 | 8.7° | 59.3° |
| C2 | C3 | N1 | C6 | 173.9° | 176.8° |
| C3 | C2 | H1 | H2 | 118.7° | 120.0° |
| C2 | C3 | H3 | H4 | 119.9° | 120.1° |
| N | C5 | C4 | H7 | 120.4° | 119.9° |
| N | C5 | C4 | H8 | 120.4° | 120.0° |
| N | C5 | C4 | N1 | 63.4° | 58.4° |
| C5 | N | C2 | H1 | 158.4° | 60.7° |
| C5 | N | C2 | H2 | 82.5° | 179.3° |
| N | C5 | C4 | H5 | 56.0° | 178.4° |
| N | C5 | C4 | H6 | 177.2° | 61.5° |
| N | C5 | H7 | H8 | 118.8° | 120.1° |
| C5 | N | C1 | H25 | 154.5° | 53.8° |
| C5 | N | C1 | H26 | 35.0° | 173.8° |
| C3 | N1 | C4 | C5 | 47.2° | 59.3° |
| C3 | N1 | C4 | C6 | 177.3° | 123.9° |
| C3 | N1 | C6 | C28 | 49.2° | 179.7° |
| C3 | N1 | C6 | C7 | 128.0° | 0.1° |
| N1 | C3 | C2 | H1 | 174.5° | 61.5° |
| N1 | C3 | C2 | H2 | 66.3° | 178.4° |
| N1 | C3 | H3 | H4 | 120.0° | 120.0° |
| C3 | N1 | C4 | H5 | 72.2° | 179.3° |
| C3 | N1 | C4 | H6 | 166.6° | 60.6° |
| O3 | C25 | C26 | N7 | 179.6° | 180.0° |
| O3 | C25 | C26 | C27 | 148.4° | 0.0° |
| O3 | C25 | N7 | C24 | 12.7° | 5.3° |
| O3 | C25 | C26 | H17 | 91.0° | 120.0° |
| O3 | C25 | C26 | H18 | 27.9° | 120.0° |
| O3 | C25 | N7 | H22 | 167.3° | 174.6° |
| C5 | C4 | N1 | H5 | 119.4° | 120.0° |
| C5 | C4 | N1 | H6 | 119.4° | 119.9° |
| C5 | C4 | N1 | C6 | 130.1° | 176.8° |
| C5 | C4 | H5 | H6 | 121.8° | 120.1° |
| C4 | C5 | H7 | H8 | 118.8° | 120.1° |
| C4 | N1 | C6 | C28 | 133.5° | 56.5° |
| C4 | N1 | C6 | C7 | 49.3° | 123.9° |
| C4 | N1 | C3 | H3 | 111.3° | 60.7° |
| C4 | N1 | C3 | H4 | 128.7° | 179.3° |
| N1 | C4 | H5 | H6 | 121.8° | 120.0° |
| N1 | C4 | C5 | H7 | 176.2° | 178.3° |
| N1 | C4 | C5 | H8 | 57.0° | 61.6° |
| N1 | C6 | C28 | C7 | 177.2° | 179.7° |
| N1 | C6 | C28 | C24 | 178.5° | 179.7° |
| N1 | C6 | C7 | C8 | 179.0° | 179.8° |
| C6 | N1 | C3 | H3 | 66.1° | 63.2° |
| C6 | N1 | C3 | H4 | 53.9° | 56.8° |
| C6 | N1 | C4 | H5 | 110.5° | 56.9° |
| C6 | N1 | C4 | H6 | 10.8° | 63.2° |
| N1 | C6 | C28 | H23 | 1.5° | 0.3° |
| N1 | C6 | C7 | H31 | 1.0° | 0.4° |
| C25 | C26 | C27 | H17 | 120.6° | 120.0° |
| C25 | C26 | C27 | H18 | 120.6° | 120.0° |
| C26 | C25 | N7 | C24 | 166.9° | 174.7° |
| C25 | C26 | H17 | H18 | 118.3° | 120.0° |
| C25 | C26 | C27 | H19 | 180.0° | 60.0° |
| C25 | C26 | C27 | H20 | 60.0° | 180.0° |
| C25 | C26 | C27 | H21 | 60.0° | 60.0° |
| C26 | C25 | N7 | H22 | 13.1° | 5.3° |
| C25 | N7 | C24 | C28 | 13.1° | 24.5° |
| N7 | C25 | C26 | C27 | 31.2° | 180.0° |
| C25 | N7 | C24 | H22 | 180.0° | 180.0° |
| C25 | N7 | C24 | C9 | 165.8° | 155.5° |
| N7 | C25 | C26 | H17 | 89.4° | 60.0° |
| N7 | C25 | C26 | H18 | 151.7° | 60.0° |
| C6 | C28 | C24 | H23 | 180.0° | 179.9° |
| C6 | C28 | C24 | N7 | 177.7° | 180.0° |
| C6 | C28 | C24 | C9 | 1.1° | 0.1° |
| C28 | C6 | C7 | C8 | 1.7° | 0.1° |
| C28 | C6 | C7 | H31 | 178.3° | 180.0° |
| C24 | C28 | C6 | C7 | 1.3° | 0.0° |
| C28 | C24 | N7 | C9 | 178.8° | 180.0° |
| C28 | C24 | C9 | C8 | 1.3° | 0.0° |
| C28 | C24 | C9 | N2 | 171.2° | 180.0° |
| C28 | C24 | N7 | H22 | 166.9° | 155.5° |
| C6 | C7 | C8 | H31 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 2.1° | 0.1° |
| C7 | C6 | C28 | H23 | 178.7° | 179.9° |
| C6 | C7 | C8 | H30 | 177.9° | 180.0° |
| C27 | C26 | H17 | H18 | 118.3° | 120.0° |
| C26 | C27 | H19 | H20 | 120.0° | 120.0° |
| C26 | C27 | H19 | H21 | 120.0° | 120.0° |
| C26 | C27 | H20 | H21 | 120.0° | 120.0° |
| N7 | C24 | C9 | C8 | 177.7° | 180.0° |
| N7 | C24 | C9 | N2 | 7.8° | 0.1° |
| N7 | C24 | C28 | H23 | 2.3° | 0.0° |
| C24 | C9 | C8 | C7 | 1.9° | 0.1° |
| C24 | C9 | C8 | N2 | 169.1° | 179.9° |
| C24 | C9 | N2 | C10 | 120.2° | 155.5° |
| C9 | C24 | N7 | H22 | 14.3° | 24.5° |
| C9 | C24 | C28 | H23 | 178.9° | 180.0° |
| C24 | C9 | C8 | H30 | 178.1° | 179.9° |
| C24 | C9 | N2 | H32 | 59.8° | 24.6° |
| C7 | C8 | C9 | H30 | 180.0° | 179.8° |
| C7 | C8 | C9 | N2 | 171.0° | 179.9° |
| C8 | C9 | N2 | C10 | 49.0° | 24.4° |
| C9 | C8 | C7 | H31 | 177.9° | 180.0° |
| C8 | C9 | N2 | H32 | 131.0° | 155.5° |
| C9 | N2 | C10 | H32 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 0.9° | 173.9° |
| C9 | N2 | C10 | N4 | 177.7° | 6.4° |
| N2 | C9 | C8 | H30 | 9.0° | 0.0° |
| C14 | N5 | C12 | C11 | 7.8° | 4.9° |
| C14 | N5 | C12 | C15 | 177.9° | 179.9° |
| C14 | N5 | C12 | N3 | 175.2° | 175.0° |
| C14 | N5 | C15 | O | 4.0° | 180.0° |
| C14 | N5 | C15 | N6 | 174.6° | 0.1° |
| N5 | C14 | H11 | H12 | 120.0° | 120.0° |
| N5 | C14 | H11 | H13 | 120.0° | 120.0° |
| N5 | C14 | H12 | H13 | 120.0° | 120.1° |
| N2 | C10 | C11 | N4 | 176.4° | 179.7° |
| N2 | C10 | C11 | C12 | 176.7° | 179.7° |
| N2 | C10 | N4 | C13 | 173.8° | 179.7° |
| N2 | C10 | C11 | H9 | 3.3° | 0.3° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | N5 | 178.8° | 180.0° |
| C10 | C11 | C12 | N3 | 1.7° | 0.0° |
| C11 | C10 | N4 | C13 | 3.1° | 0.0° |
| C11 | C10 | N2 | H32 | 179.1° | 6.1° |
| C12 | C11 | C10 | N4 | 0.3° | 0.0° |
| C11 | C12 | N5 | N3 | 177.0° | 180.0° |
| C11 | C12 | N5 | C15 | 170.0° | 175.0° |
| C11 | C12 | N3 | C13 | 0.1° | 0.1° |
| C10 | N4 | C13 | N3 | 4.8° | 0.0° |
| N4 | C10 | C11 | H9 | 179.7° | 180.0° |
| C10 | N4 | C13 | H10 | 175.2° | 180.0° |
| N4 | C10 | N2 | H32 | 2.3° | 173.6° |
| C12 | N5 | C15 | O | 178.4° | 0.1° |
| C12 | N5 | C15 | N6 | 3.0° | 180.0° |
| N5 | C12 | N3 | C13 | 177.2° | 180.0° |
| N5 | C12 | C11 | H9 | 1.2° | 0.0° |
| C12 | N5 | C14 | H11 | 180.0° | 90.1° |
| C12 | N5 | C14 | H12 | 60.0° | 150.0° |
| C12 | N5 | C14 | H13 | 60.0° | 29.9° |
| C15 | N5 | C12 | N3 | 7.0° | 5.1° |
| N5 | C15 | O | N6 | 178.5° | 179.9° |
| N5 | C15 | N6 | C16 | 177.7° | 176.4° |
| C15 | N5 | C14 | H11 | 2.2° | 90.0° |
| C15 | N5 | C14 | H12 | 122.2° | 29.9° |
| C15 | N5 | C14 | H13 | 117.8° | 150.0° |
| N5 | C15 | N6 | H33 | 2.3° | 3.6° |
| C12 | N3 | C13 | N4 | 3.6° | 0.0° |
| N3 | C12 | C11 | H9 | 178.3° | 180.0° |
| C12 | N3 | C13 | H10 | 176.4° | 180.0° |
| N4 | C13 | N3 | H10 | 180.0° | 180.0° |
| O | C15 | N6 | C16 | 0.9° | 3.7° |
| O | C15 | N6 | H33 | 179.1° | 176.3° |
| C15 | N6 | C16 | H33 | 180.0° | 180.0° |
| C15 | N6 | C16 | C17 | 62.2° | 135.8° |
| C15 | N6 | C16 | C23 | 102.3° | 44.2° |
| CL | C17 | C16 | N6 | 14.3° | 0.0° |
| CL | C17 | C16 | C18 | 175.4° | 179.8° |
| CL | C17 | C16 | C23 | 179.8° | 180.0° |
| CL | C17 | C18 | O1 | 2.3° | 0.0° |
| CL | C17 | C18 | C20 | 176.9° | 180.0° |
| N6 | C16 | C17 | C23 | 165.5° | 180.0° |
| N6 | C16 | C17 | C18 | 170.4° | 179.7° |
| N6 | C16 | C23 | CL1 | 12.7° | 0.0° |
| N6 | C16 | C23 | C21 | 173.2° | 179.9° |
| C16 | C17 | C18 | O1 | 177.6° | 179.8° |
| C16 | C17 | C18 | C20 | 1.6° | 0.2° |
| C17 | C16 | C23 | CL1 | 179.2° | 180.0° |
| C17 | C16 | C23 | C21 | 6.6° | 0.0° |
| C17 | C16 | N6 | H33 | 117.8° | 44.2° |
| C18 | C17 | C16 | C23 | 4.8° | 0.2° |
| C17 | C18 | O1 | C20 | 179.2° | 180.0° |
| C17 | C18 | O1 | C19 | 177.8° | 180.0° |
| C17 | C18 | C20 | C21 | 0.8° | 0.0° |
| C17 | C18 | C20 | H34 | 179.2° | 180.0° |
| C16 | C23 | CL1 | C21 | 174.7° | 179.9° |
| C16 | C23 | C21 | C20 | 4.7° | 0.2° |
| C16 | C23 | C21 | O2 | 174.9° | 179.9° |
| C23 | C16 | N6 | H33 | 77.7° | 135.8° |
| O1 | C18 | C20 | C21 | 179.9° | 180.0° |
| O1 | C18 | C20 | H34 | 0.1° | 0.1° |
| C18 | O1 | C19 | H35 | 180.0° | 180.0° |
| C18 | O1 | C19 | H36 | 60.0° | 60.0° |
| C18 | O1 | C19 | H37 | 60.0° | 60.0° |
| C19 | O1 | C18 | C20 | 1.4° | 0.0° |
| O1 | C19 | H35 | H36 | 120.0° | 120.0° |
| O1 | C19 | H35 | H37 | 120.0° | 120.0° |
| O1 | C19 | H36 | H37 | 120.0° | 120.0° |
| C18 | C20 | C21 | C23 | 0.6° | 0.2° |
| C18 | C20 | C21 | H34 | 180.0° | 180.0° |
| C18 | C20 | C21 | O2 | 179.0° | 179.9° |
| CL1 | C23 | C21 | C20 | 178.8° | 179.7° |
| CL1 | C23 | C21 | O2 | 0.8° | 0.0° |
| C23 | C21 | C20 | O2 | 179.5° | 179.7° |
| C23 | C21 | O2 | C22 | 166.5° | 180.0° |
| C23 | C21 | C20 | H34 | 179.4° | 179.7° |
| C20 | C21 | O2 | C22 | 13.1° | 0.3° |
| C21 | O2 | C22 | H14 | 180.0° | 60.0° |
| C21 | O2 | C22 | H15 | 60.0° | 60.0° |
| C21 | O2 | C22 | H16 | 60.0° | 180.0° |
| O2 | C21 | C20 | H34 | 1.0° | 0.0° |
| O2 | C22 | H14 | H15 | 120.0° | 120.0° |
| O2 | C22 | H14 | H16 | 120.0° | 120.0° |
| O2 | C22 | H15 | H16 | 120.0° | 120.0° |
| H1 | C2 | C3 | H3 | 54.5° | 178.4° |
| H1 | C2 | C3 | H4 | 65.5° | 58.4° |
| H2 | C2 | C3 | H3 | 173.7° | 58.4° |
| H2 | C2 | C3 | H4 | 53.7° | 61.7° |
| H5 | C4 | C5 | H7 | 64.4° | 61.7° |
| H5 | C4 | C5 | H8 | 176.4° | 58.4° |
| H6 | C4 | C5 | H7 | 56.8° | 58.4° |
| H6 | C4 | C5 | H8 | 62.4° | 178.5° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H17 | C26 | C27 | H19 | 59.5° | 60.0° |
| H17 | C26 | C27 | H20 | 179.4° | 60.0° |
| H17 | C26 | C27 | H21 | 60.6° | 180.0° |
| H18 | C26 | C27 | H19 | 59.4° | 180.0° |
| H18 | C26 | C27 | H20 | 60.6° | 60.0° |
| H18 | C26 | C27 | H21 | 179.5° | 60.0° |
| H19 | C27 | H20 | H21 | 120.0° | 120.0° |
| H25 | C1 | C | H27 | 59.8° | 180.0° |
| H25 | C1 | C | H28 | 60.3° | 59.9° |
| H25 | C1 | C | H29 | 179.8° | 60.0° |
| H26 | C1 | C | H27 | 59.7° | 59.9° |
| H26 | C1 | C | H28 | 179.8° | 180.0° |
| H26 | C1 | C | H29 | 60.3° | 60.0° |
| H27 | C | H28 | H29 | 120.0° | 120.0° |
| H30 | C8 | C7 | H31 | 2.1° | 0.2° |
| H35 | C19 | H36 | H37 | 120.0° | 120.0° |
