X30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N7 | sing | 1.46Å | 1.45Å | |
| C18 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| N7 | C19 | sing | 1.39Å | 1.40Å | |
| N7 | C27 | sing | 1.32Å | 1.32Å | |
| O1 | C27 | doub | 1.22Å | 1.22Å | |
| C19 | C20 | doub | 1.40Å | 1.48Å | Aromatic |
| C27 | C26 | sing | 1.47Å | 1.49Å | |
| C17 | N3 | sing | 1.39Å | 1.35Å | |
| C17 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| O2 | C30 | sing | 1.43Å | 1.43Å | |
| O2 | C13 | sing | 1.36Å | 1.36Å | |
| N3 | C14 | sing | 1.39Å | 1.35Å | |
| C25 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.40Å | 1.48Å | Aromatic |
| C20 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C20 | N6 | sing | 1.39Å | 1.39Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.47Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N6 | sing | 1.39Å | 1.39Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| N6 | C29 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| C11 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| C10 | O | doub | 1.22Å | 1.22Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | N2 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N2 | C7 | sing | 1.47Å | 1.45Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N7 | C19 | 113.8° | 116.6° |
| C28 | N7 | C27 | 120.2° | 116.6° |
| N7 | C28 | H30 | 109.5° | 109.5° |
| N7 | C28 | H31 | 109.5° | 109.5° |
| N7 | C28 | H29 | 109.5° | 109.5° |
| N4 | C18 | C19 | 119.9° | 119.2° |
| C18 | N4 | C17 | 122.3° | 121.1° |
| N4 | C18 | H24 | 120.0° | 120.4° |
| C18 | C19 | N7 | 117.3° | 119.8° |
| C18 | C19 | C20 | 117.4° | 118.2° |
| C19 | C18 | H24 | 120.0° | 120.3° |
| N4 | C17 | N3 | 114.6° | 119.2° |
| N4 | C17 | N5 | 121.7° | 121.6° |
| C19 | N7 | C27 | 126.0° | 126.8° |
| N7 | C19 | C20 | 125.2° | 122.0° |
| N7 | C27 | O1 | 118.5° | 117.3° |
| N7 | C27 | C26 | 125.5° | 125.5° |
| O1 | C27 | C26 | 116.0° | 117.2° |
| C19 | C20 | N5 | 118.5° | 119.3° |
| C19 | C20 | N6 | 122.5° | 120.7° |
| C27 | C26 | C25 | 117.6° | 119.7° |
| C27 | C26 | C21 | 123.8° | 120.8° |
| N3 | C17 | N5 | 123.7° | 119.2° |
| C17 | N3 | C14 | 125.9° | 120.0° |
| C17 | N3 | H23 | 117.0° | 120.0° |
| C17 | N5 | C20 | 120.2° | 120.5° |
| C30 | O2 | C13 | 120.7° | 117.0° |
| O2 | C30 | H36 | 109.5° | 109.5° |
| O2 | C30 | H35 | 109.4° | 109.4° |
| O2 | C30 | H37 | 109.5° | 109.5° |
| O2 | C13 | C14 | 118.1° | 120.1° |
| O2 | C13 | C12 | 122.1° | 120.0° |
| N3 | C14 | C13 | 116.0° | 119.9° |
| N3 | C14 | C15 | 125.2° | 120.0° |
| C14 | N3 | H23 | 117.0° | 120.0° |
| C26 | C25 | C24 | 120.4° | 120.0° |
| C25 | C26 | C21 | 118.5° | 119.4° |
| C26 | C25 | H28 | 119.8° | 120.0° |
| C25 | C24 | C23 | 121.0° | 120.4° |
| C25 | C24 | H27 | 119.5° | 119.7° |
| C24 | C25 | H28 | 119.8° | 120.0° |
| C26 | C21 | N6 | 122.4° | 120.3° |
| C26 | C21 | C22 | 119.0° | 119.9° |
| N5 | C20 | N6 | 118.9° | 119.9° |
| C20 | N6 | C21 | 118.4° | 119.1° |
| C20 | N6 | C29 | 122.2° | 120.4° |
| C24 | C23 | C22 | 120.9° | 120.3° |
| C24 | C23 | H26 | 119.6° | 119.9° |
| C23 | C24 | H27 | 119.5° | 119.9° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C13 | C14 | C15 | 118.7° | 120.1° |
| C13 | C12 | C11 | 119.7° | 119.9° |
| C13 | C12 | H20 | 120.1° | 120.1° |
| C14 | C15 | C16 | 119.6° | 120.2° |
| C14 | C15 | H21 | 120.2° | 119.9° |
| N6 | C21 | C22 | 118.6° | 119.8° |
| C21 | N6 | C29 | 119.3° | 120.4° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C21 | C22 | H25 | 119.9° | 119.9° |
| N6 | C29 | C31 | 111.0° | 109.4° |
| N6 | C29 | H32 | 109.1° | 109.5° |
| N6 | C29 | H33 | 109.1° | 109.5° |
| C23 | C22 | H25 | 119.9° | 120.0° |
| C22 | C23 | H26 | 119.5° | 119.8° |
| C12 | C11 | C16 | 120.5° | 119.9° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C11 | C12 | H20 | 120.1° | 120.1° |
| C15 | C16 | C11 | 121.7° | 120.0° |
| C16 | C15 | H21 | 120.2° | 119.9° |
| C15 | C16 | H22 | 119.1° | 120.0° |
| C31 | C29 | H32 | 109.1° | 109.5° |
| C31 | C29 | H33 | 109.1° | 109.5° |
| C29 | C31 | H311 | 109.5° | 109.5° |
| C29 | C31 | H313 | 109.5° | 109.4° |
| C29 | C31 | H312 | 109.5° | 109.4° |
| C16 | C11 | C10 | 119.0° | 120.1° |
| C11 | C16 | H22 | 119.2° | 120.0° |
| C11 | C10 | O | 118.7° | 120.0° |
| C11 | C10 | N2 | 121.3° | 120.0° |
| O | C10 | N2 | 119.9° | 120.0° |
| C10 | N2 | C8 | 124.1° | 120.6° |
| C10 | N2 | C7 | 121.7° | 120.6° |
| N2 | C8 | C9 | 105.9° | 108.8° |
| C8 | N2 | C7 | 114.3° | 118.7° |
| N2 | C8 | H17 | 110.4° | 109.6° |
| N2 | C8 | H16 | 110.4° | 109.6° |
| C8 | C9 | C5 | 112.1° | 109.3° |
| C9 | C8 | H17 | 110.4° | 109.6° |
| C9 | C8 | H16 | 110.4° | 109.6° |
| C8 | C9 | H18 | 108.8° | 109.5° |
| C8 | C9 | H19 | 108.8° | 109.5° |
| N2 | C7 | C6 | 105.9° | 108.8° |
| N2 | C7 | H15 | 110.4° | 109.5° |
| N2 | C7 | H14 | 110.3° | 109.7° |
| C9 | C5 | C6 | 110.2° | 109.5° |
| C9 | C5 | N1 | 109.1° | 109.5° |
| C9 | C5 | H11 | 108.8° | 109.5° |
| C5 | C9 | H18 | 108.8° | 109.5° |
| C5 | C9 | H19 | 108.8° | 109.5° |
| C7 | C6 | C5 | 111.7° | 109.3° |
| C7 | C6 | H13 | 108.9° | 109.5° |
| C7 | C6 | H12 | 108.9° | 109.6° |
| C6 | C7 | H15 | 110.4° | 109.6° |
| C6 | C7 | H14 | 110.4° | 109.6° |
| C6 | C5 | N1 | 110.2° | 109.5° |
| C6 | C5 | H11 | 108.9° | 109.4° |
| C5 | C6 | H13 | 108.9° | 109.5° |
| C5 | C6 | H12 | 108.9° | 109.5° |
| C5 | N1 | C2 | 109.8° | 111.0° |
| C5 | N1 | C3 | 111.5° | 111.0° |
| N1 | C5 | H11 | 109.6° | 109.5° |
| N1 | C2 | C1 | 109.4° | 109.4° |
| C2 | N1 | C3 | 109.6° | 110.9° |
| N1 | C2 | H5 | 109.5° | 109.5° |
| N1 | C2 | H6 | 109.5° | 109.5° |
| C2 | C1 | N | 109.4° | 109.3° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| N1 | C3 | C4 | 109.8° | 109.3° |
| N1 | C3 | H8 | 109.4° | 109.5° |
| N1 | C3 | H7 | 109.4° | 109.6° |
| C1 | N | C4 | 109.8° | 110.9° |
| C1 | N | C | 109.5° | 111.0° |
| N | C1 | H4 | 109.5° | 109.5° |
| N | C1 | H3 | 109.5° | 109.5° |
| C3 | C4 | N | 110.1° | 109.4° |
| C4 | C3 | H8 | 109.4° | 109.5° |
| C4 | C3 | H7 | 109.4° | 109.5° |
| C3 | C4 | H9 | 109.3° | 109.5° |
| C3 | C4 | H10 | 109.3° | 109.5° |
| C4 | N | C | 110.1° | 111.0° |
| N | C4 | H9 | 109.3° | 109.5° |
| N | C4 | H10 | 109.3° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H | 109.4° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.4° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.4° | 109.5° |
| H30 | C28 | H29 | 109.5° | 109.5° |
| H31 | C28 | H29 | 109.5° | 109.4° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H8 | C3 | H7 | 109.5° | 109.6° |
| H36 | C30 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H35 | C30 | H37 | 109.4° | 109.4° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H13 | C6 | H12 | 109.5° | 109.5° |
| H15 | C7 | H14 | 109.5° | 109.6° |
| H17 | C8 | H16 | 109.4° | 109.6° |
| H18 | C9 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N7 | C19 | C18 | 35.1° | 38.5° |
| C28 | N7 | C19 | C27 | 178.2° | 180.0° |
| C28 | N7 | C27 | O1 | 3.0° | 0.5° |
| C28 | N7 | C19 | C20 | 140.8° | 139.3° |
| C28 | N7 | C27 | C26 | 176.0° | 179.5° |
| N7 | C28 | H30 | H31 | 120.0° | 120.0° |
| N7 | C28 | H30 | H29 | 120.0° | 120.1° |
| N7 | C28 | H31 | H29 | 120.0° | 120.0° |
| N4 | C18 | C19 | H24 | 180.0° | 180.0° |
| N4 | C18 | C19 | N7 | 178.2° | 176.9° |
| N4 | C18 | C19 | C20 | 1.9° | 1.0° |
| C18 | N4 | C17 | N3 | 179.2° | 179.1° |
| C18 | N4 | C17 | N5 | 1.3° | 0.6° |
| C19 | C18 | N4 | C17 | 0.2° | 0.1° |
| C18 | C19 | N7 | C20 | 175.9° | 177.8° |
| C18 | C19 | N7 | C27 | 146.6° | 141.4° |
| C18 | C19 | C20 | N5 | 2.2° | 1.7° |
| C18 | C19 | C20 | N6 | 179.5° | 176.0° |
| N4 | C17 | N3 | N5 | 177.9° | 179.7° |
| N4 | C17 | N3 | C14 | 168.8° | 6.4° |
| N4 | C17 | N5 | C20 | 0.9° | 0.2° |
| C17 | N4 | C18 | H24 | 179.7° | 179.9° |
| N4 | C17 | N3 | H23 | 11.2° | 173.7° |
| C19 | N7 | C27 | O1 | 178.8° | 179.5° |
| C19 | N7 | C27 | C26 | 2.1° | 0.6° |
| N7 | C19 | C20 | N5 | 178.1° | 176.1° |
| N7 | C19 | C20 | N6 | 4.5° | 6.2° |
| N7 | C19 | C18 | H24 | 1.8° | 3.1° |
| C19 | N7 | C28 | H30 | 180.0° | 90.0° |
| C19 | N7 | C28 | H31 | 60.0° | 150.0° |
| C19 | N7 | C28 | H29 | 60.0° | 30.0° |
| N7 | C27 | O1 | C26 | 179.1° | 179.9° |
| C27 | N7 | C19 | C20 | 37.4° | 40.7° |
| N7 | C27 | C26 | C25 | 148.3° | 143.0° |
| N7 | C27 | C26 | C21 | 33.8° | 39.2° |
| C27 | N7 | C28 | H30 | 1.6° | 90.0° |
| C27 | N7 | C28 | H31 | 118.3° | 30.0° |
| C27 | N7 | C28 | H29 | 121.7° | 149.9° |
| O1 | C27 | C26 | C25 | 32.7° | 37.0° |
| O1 | C27 | C26 | C21 | 145.2° | 140.8° |
| C19 | C20 | N5 | C17 | 0.8° | 1.4° |
| C19 | C20 | N5 | N6 | 177.4° | 177.8° |
| C19 | C20 | N6 | C21 | 55.1° | 60.3° |
| C19 | C20 | N6 | C29 | 129.4° | 119.6° |
| C20 | C19 | C18 | H24 | 178.1° | 179.0° |
| C27 | C26 | C25 | C21 | 178.0° | 177.8° |
| C27 | C26 | C25 | C24 | 179.0° | 176.4° |
| C27 | C26 | C21 | N6 | 2.5° | 4.5° |
| C27 | C26 | C21 | C22 | 179.1° | 175.8° |
| C27 | C26 | C25 | H28 | 1.0° | 3.6° |
| C17 | N3 | C14 | H23 | 180.0° | 179.9° |
| N3 | C17 | N5 | C20 | 178.7° | 179.9° |
| C17 | N3 | C14 | C13 | 159.3° | 148.1° |
| C17 | N3 | C14 | C15 | 16.6° | 31.9° |
| N5 | C17 | N3 | C14 | 9.2° | 173.9° |
| C17 | N5 | C20 | N6 | 178.2° | 176.4° |
| N5 | C17 | N3 | H23 | 170.8° | 6.0° |
| C30 | O2 | C13 | C14 | 151.1° | 180.0° |
| C30 | O2 | C13 | C12 | 29.4° | 0.0° |
| O2 | C30 | H36 | H35 | 120.0° | 120.0° |
| O2 | C30 | H36 | H37 | 120.0° | 120.1° |
| O2 | C30 | H35 | H37 | 120.0° | 120.0° |
| O2 | C13 | C14 | N3 | 3.1° | 0.0° |
| O2 | C13 | C14 | C12 | 179.5° | 179.9° |
| O2 | C13 | C14 | C15 | 179.3° | 180.0° |
| O2 | C13 | C12 | C11 | 179.6° | 180.0° |
| O2 | C13 | C12 | H20 | 0.4° | 0.0° |
| C13 | O2 | C30 | H36 | 180.0° | 60.0° |
| C13 | O2 | C30 | H35 | 60.0° | 60.0° |
| C13 | O2 | C30 | H37 | 60.0° | 180.0° |
| N3 | C14 | C13 | C15 | 176.1° | 180.0° |
| N3 | C14 | C13 | C12 | 177.3° | 179.9° |
| N3 | C14 | C15 | C16 | 176.9° | 180.0° |
| N3 | C14 | C15 | H21 | 3.1° | 0.1° |
| C26 | C25 | C24 | H28 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C25 | C26 | C21 | N6 | 179.6° | 177.7° |
| C25 | C26 | C21 | C22 | 1.2° | 2.0° |
| C26 | C25 | C24 | H27 | 179.7° | 180.0° |
| C24 | C25 | C26 | C21 | 1.0° | 1.4° |
| C25 | C24 | C23 | H27 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.8° |
| C25 | C24 | C23 | H26 | 179.9° | 179.2° |
| C26 | C21 | N6 | C20 | 54.8° | 60.2° |
| C26 | C21 | N6 | C22 | 178.4° | 179.7° |
| C26 | C21 | N6 | C29 | 129.6° | 119.7° |
| C26 | C21 | C22 | C23 | 0.8° | 1.2° |
| C26 | C21 | C22 | H25 | 179.2° | 178.7° |
| C21 | C26 | C25 | H28 | 179.0° | 178.6° |
| N5 | C20 | N6 | C21 | 122.2° | 117.4° |
| N5 | C20 | N6 | C29 | 53.3° | 62.7° |
| C20 | N6 | C21 | C29 | 175.7° | 179.9° |
| C20 | N6 | C21 | C22 | 123.7° | 119.5° |
| C20 | N6 | C29 | C31 | 0.7° | 90.0° |
| C20 | N6 | C29 | H32 | 119.5° | 30.0° |
| C20 | N6 | C29 | H33 | 120.9° | 150.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.2° |
| C24 | C23 | C22 | H26 | 180.0° | 180.0° |
| C24 | C23 | C22 | H25 | 179.9° | 180.0° |
| C23 | C24 | C25 | H28 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.0° |
| C14 | C13 | C12 | H20 | 179.1° | 180.0° |
| C13 | C14 | C15 | H21 | 178.8° | 180.0° |
| C13 | C14 | N3 | H23 | 20.7° | 31.9° |
| C12 | C13 | C14 | C15 | 1.2° | 0.0° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.5° | 0.0° |
| C13 | C12 | C11 | C10 | 179.8° | 179.7° |
| C14 | C15 | C16 | H21 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.8° | 0.0° |
| C14 | C15 | C16 | H22 | 179.2° | 179.8° |
| C15 | C14 | N3 | H23 | 163.4° | 148.1° |
| N6 | C21 | C22 | C23 | 179.3° | 178.5° |
| C21 | N6 | C29 | C31 | 174.8° | 90.0° |
| N6 | C21 | C22 | H25 | 0.7° | 1.7° |
| C21 | N6 | C29 | H32 | 65.0° | 150.0° |
| C21 | N6 | C29 | H33 | 54.6° | 30.0° |
| C22 | C21 | N6 | C29 | 52.0° | 60.6° |
| C21 | C22 | C23 | H25 | 180.0° | 179.9° |
| C21 | C22 | C23 | H26 | 179.9° | 179.8° |
| N6 | C29 | C31 | H32 | 120.3° | 120.0° |
| N6 | C29 | C31 | H33 | 120.2° | 120.0° |
| N6 | C29 | H32 | H33 | 119.3° | 120.0° |
| N6 | C29 | C31 | H311 | 180.0° | 60.0° |
| N6 | C29 | C31 | H313 | 60.0° | 180.0° |
| N6 | C29 | C31 | H312 | 60.0° | 60.0° |
| C22 | C23 | C24 | H27 | 179.9° | 179.2° |
| C12 | C11 | C16 | C15 | 0.5° | 0.0° |
| C12 | C11 | C16 | C10 | 179.3° | 179.7° |
| C12 | C11 | C10 | O | 118.9° | 33.0° |
| C12 | C11 | C10 | N2 | 61.7° | 147.0° |
| C12 | C11 | C16 | H22 | 179.5° | 179.8° |
| C15 | C16 | C11 | H22 | 180.0° | 179.8° |
| C15 | C16 | C11 | C10 | 179.8° | 179.7° |
| C31 | C29 | H32 | H33 | 119.3° | 120.0° |
| C29 | C31 | H311 | H313 | 120.0° | 119.9° |
| C29 | C31 | H311 | H312 | 120.0° | 120.0° |
| C29 | C31 | H313 | H312 | 120.0° | 120.0° |
| C16 | C11 | C10 | O | 60.4° | 146.7° |
| C16 | C11 | C10 | N2 | 119.1° | 33.3° |
| C16 | C11 | C12 | H20 | 179.5° | 180.0° |
| C11 | C16 | C15 | H21 | 179.2° | 180.0° |
| C11 | C10 | O | N2 | 179.4° | 180.0° |
| C11 | C10 | N2 | C8 | 4.2° | 174.6° |
| C11 | C10 | N2 | C7 | 176.6° | 5.4° |
| C10 | C11 | C12 | H20 | 0.2° | 0.3° |
| C10 | C11 | C16 | H22 | 0.3° | 0.0° |
| O | C10 | N2 | C8 | 175.2° | 5.4° |
| O | C10 | N2 | C7 | 4.0° | 174.6° |
| C10 | N2 | C8 | C7 | 179.3° | 179.9° |
| C10 | N2 | C8 | C9 | 113.0° | 126.4° |
| C10 | N2 | C7 | C6 | 112.7° | 126.4° |
| C10 | N2 | C7 | H15 | 6.8° | 113.8° |
| C10 | N2 | C7 | H14 | 127.9° | 6.5° |
| C10 | N2 | C8 | H17 | 127.5° | 6.6° |
| C10 | N2 | C8 | H16 | 6.4° | 113.8° |
| N2 | C8 | C9 | H17 | 119.4° | 119.8° |
| N2 | C8 | C9 | H16 | 119.5° | 119.8° |
| N2 | C8 | C9 | C5 | 56.4° | 54.6° |
| C8 | N2 | C7 | C6 | 66.6° | 53.5° |
| C8 | N2 | C7 | H15 | 173.9° | 66.2° |
| C8 | N2 | C7 | H14 | 52.8° | 173.4° |
| N2 | C8 | H17 | H16 | 121.7° | 120.3° |
| N2 | C8 | C9 | H18 | 176.8° | 65.3° |
| N2 | C8 | C9 | H19 | 64.0° | 174.6° |
| C9 | C8 | N2 | C7 | 66.3° | 53.6° |
| C8 | C9 | C5 | H18 | 120.4° | 120.0° |
| C8 | C9 | C5 | H19 | 120.4° | 119.9° |
| C8 | C9 | C5 | C6 | 51.8° | 61.4° |
| C8 | C9 | C5 | N1 | 172.9° | 178.6° |
| C8 | C9 | C5 | H11 | 67.6° | 58.6° |
| C9 | C8 | H17 | H16 | 121.7° | 120.4° |
| C8 | C9 | H18 | H19 | 118.8° | 120.1° |
| N2 | C7 | C6 | H15 | 119.5° | 119.7° |
| N2 | C7 | C6 | H14 | 119.4° | 120.0° |
| N2 | C7 | C6 | C5 | 56.8° | 54.6° |
| N2 | C7 | C6 | H13 | 63.5° | 174.5° |
| N2 | C7 | C6 | H12 | 177.1° | 65.3° |
| N2 | C7 | H15 | H14 | 121.6° | 120.4° |
| C7 | N2 | C8 | H17 | 53.1° | 173.4° |
| C7 | N2 | C8 | H16 | 174.3° | 66.3° |
| C9 | C5 | C6 | C7 | 51.9° | 61.4° |
| C9 | C5 | C6 | N1 | 120.4° | 120.0° |
| C9 | C5 | C6 | H11 | 119.3° | 120.0° |
| C9 | C5 | N1 | H11 | 119.1° | 120.0° |
| C9 | C5 | N1 | C2 | 61.6° | 59.9° |
| C9 | C5 | N1 | C3 | 176.7° | 176.2° |
| C9 | C5 | C6 | H13 | 68.4° | 178.7° |
| C9 | C5 | C6 | H12 | 172.3° | 58.6° |
| C5 | C9 | C8 | H17 | 63.0° | 174.5° |
| C5 | C9 | C8 | H16 | 175.9° | 65.2° |
| C5 | C9 | H18 | H19 | 118.8° | 120.1° |
| C7 | C6 | C5 | H13 | 120.3° | 120.0° |
| C7 | C6 | C5 | H12 | 120.3° | 120.0° |
| C7 | C6 | C5 | N1 | 172.3° | 178.6° |
| C7 | C6 | C5 | H11 | 67.4° | 58.7° |
| C7 | C6 | H13 | H12 | 119.0° | 120.2° |
| C6 | C7 | H15 | H14 | 121.7° | 120.3° |
| C6 | C5 | N1 | H11 | 119.8° | 119.9° |
| C6 | C5 | N1 | C2 | 177.3° | 180.0° |
| C6 | C5 | N1 | C3 | 55.6° | 56.2° |
| C5 | C6 | H13 | H12 | 119.0° | 120.0° |
| C5 | C6 | C7 | H15 | 176.3° | 65.1° |
| C5 | C6 | C7 | H14 | 62.6° | 174.6° |
| C6 | C5 | C9 | H18 | 172.2° | 58.6° |
| C6 | C5 | C9 | H19 | 68.6° | 178.7° |
| C5 | N1 | C2 | C3 | 122.8° | 123.9° |
| C5 | N1 | C2 | C1 | 176.7° | 176.8° |
| C5 | N1 | C3 | C4 | 179.1° | 176.8° |
| C5 | N1 | C2 | H5 | 63.3° | 56.9° |
| C5 | N1 | C2 | H6 | 56.7° | 63.2° |
| C5 | N1 | C3 | H8 | 59.0° | 63.3° |
| C5 | N1 | C3 | H7 | 60.9° | 56.9° |
| N1 | C5 | C6 | H13 | 52.0° | 58.6° |
| N1 | C5 | C6 | H12 | 67.3° | 61.4° |
| N1 | C5 | C9 | H18 | 66.7° | 61.4° |
| N1 | C5 | C9 | H19 | 52.5° | 58.7° |
| N1 | C2 | C1 | H5 | 120.0° | 120.0° |
| N1 | C2 | C1 | H6 | 120.0° | 120.0° |
| N1 | C2 | C1 | N | 60.7° | 58.4° |
| C2 | N1 | C3 | C4 | 59.1° | 59.3° |
| N1 | C2 | C1 | H4 | 179.3° | 61.5° |
| N1 | C2 | C1 | H3 | 59.3° | 178.4° |
| N1 | C2 | H5 | H6 | 120.0° | 120.1° |
| C2 | N1 | C3 | H8 | 179.1° | 60.6° |
| C2 | N1 | C3 | H7 | 61.0° | 179.3° |
| C2 | N1 | C5 | H11 | 57.5° | 60.0° |
| C1 | C2 | N1 | C3 | 60.4° | 59.3° |
| C2 | C1 | N | H4 | 120.0° | 119.9° |
| C2 | C1 | N | H3 | 120.0° | 120.0° |
| C2 | C1 | N | C4 | 59.7° | 59.3° |
| C2 | C1 | N | C | 179.2° | 176.8° |
| C2 | C1 | H4 | H3 | 120.0° | 120.1° |
| C1 | C2 | H5 | H6 | 120.0° | 120.0° |
| N1 | C3 | C4 | H8 | 120.1° | 119.9° |
| N1 | C3 | C4 | H7 | 120.0° | 120.0° |
| N1 | C3 | C4 | N | 58.1° | 58.4° |
| C3 | N1 | C2 | H5 | 59.5° | 179.3° |
| C3 | N1 | C2 | H6 | 179.6° | 60.6° |
| N1 | C3 | H8 | H7 | 119.8° | 120.1° |
| N1 | C3 | C4 | H9 | 61.9° | 178.4° |
| N1 | C3 | C4 | H10 | 178.2° | 61.6° |
| C3 | N1 | C5 | H11 | 64.2° | 63.8° |
| C1 | N | C4 | C3 | 58.5° | 59.3° |
| C1 | N | C4 | C | 120.7° | 123.9° |
| C1 | N | C | H2 | 180.0° | 176.2° |
| C1 | N | C | H1 | 60.0° | 56.1° |
| C1 | N | C | H | 60.0° | 63.8° |
| N | C1 | H4 | H3 | 120.0° | 120.1° |
| N | C1 | C2 | H5 | 59.2° | 178.3° |
| N | C1 | C2 | H6 | 179.3° | 61.6° |
| C1 | N | C4 | H9 | 61.6° | 179.3° |
| C1 | N | C4 | H10 | 178.6° | 60.7° |
| C3 | C4 | N | H9 | 120.1° | 120.0° |
| C3 | C4 | N | H10 | 120.1° | 120.0° |
| C3 | C4 | N | C | 179.2° | 176.8° |
| C4 | C3 | H8 | H7 | 119.8° | 120.0° |
| C3 | C4 | H9 | H10 | 119.7° | 120.0° |
| C4 | N | C | H2 | 59.1° | 60.0° |
| C4 | N | C | H1 | 179.1° | 180.0° |
| C4 | N | C | H | 60.9° | 60.0° |
| C4 | N | C1 | H4 | 179.7° | 60.6° |
| C4 | N | C1 | H3 | 60.3° | 179.3° |
| N | C4 | C3 | H8 | 178.2° | 61.5° |
| N | C4 | C3 | H7 | 61.9° | 178.4° |
| N | C4 | H9 | H10 | 119.7° | 120.0° |
| N | C | H2 | H1 | 120.0° | 120.0° |
| N | C | H2 | H | 120.0° | 120.0° |
| N | C | H1 | H | 120.0° | 119.9° |
| C | N | C1 | H4 | 59.2° | 63.3° |
| C | N | C1 | H3 | 60.8° | 56.8° |
| C | N | C4 | H9 | 59.1° | 56.8° |
| C | N | C4 | H10 | 60.7° | 63.2° |
| H2 | C | H1 | H | 120.0° | 120.0° |
| H4 | C1 | C2 | H5 | 60.7° | 58.4° |
| H4 | C1 | C2 | H6 | 59.3° | 178.5° |
| H3 | C1 | C2 | H5 | 179.2° | 61.7° |
| H3 | C1 | C2 | H6 | 60.7° | 58.4° |
| H21 | C15 | C16 | H22 | 0.8° | 0.2° |
| H25 | C22 | C23 | H26 | 0.1° | 0.1° |
| H26 | C23 | C24 | H27 | 0.2° | 0.8° |
| H27 | C24 | C25 | H28 | 0.3° | 0.1° |
| H30 | C28 | H31 | H29 | 120.0° | 120.0° |
| H32 | C29 | C31 | H311 | 59.8° | 180.0° |
| H32 | C29 | C31 | H313 | 179.7° | 60.0° |
| H32 | C29 | C31 | H312 | 60.3° | 60.0° |
| H33 | C29 | C31 | H311 | 59.7° | 60.0° |
| H33 | C29 | C31 | H313 | 60.2° | 60.0° |
| H33 | C29 | C31 | H312 | 179.8° | 180.0° |
| H8 | C3 | C4 | H9 | 58.1° | 58.5° |
| H8 | C3 | C4 | H10 | 61.7° | 178.5° |
| H7 | C3 | C4 | H9 | 178.0° | 61.6° |
| H7 | C3 | C4 | H10 | 58.2° | 58.4° |
| H36 | C30 | H35 | H37 | 120.0° | 120.0° |
| H311 | C31 | H313 | H312 | 120.0° | 120.1° |
| H11 | C5 | C6 | H13 | 172.3° | 61.3° |
| H11 | C5 | C6 | H12 | 52.9° | 178.7° |
| H11 | C5 | C9 | H18 | 52.8° | 178.6° |
| H11 | C5 | C9 | H19 | 172.0° | 61.3° |
| H13 | C6 | C7 | H15 | 55.9° | 54.8° |
| H13 | C6 | C7 | H14 | 177.0° | 65.5° |
| H12 | C6 | C7 | H15 | 63.4° | 174.9° |
| H12 | C6 | C7 | H14 | 57.7° | 54.6° |
| H17 | C8 | C9 | H18 | 57.4° | 54.5° |
| H17 | C8 | C9 | H19 | 176.6° | 65.6° |
| H16 | C8 | C9 | H18 | 63.7° | 174.9° |
| H16 | C8 | C9 | H19 | 55.5° | 54.8° |
