3KU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N32 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| N32 | C29 | sing | 1.32Å | 1.34Å | Aromatic |
| C30 | C27 | doub | 1.40Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | C23 | sing | 1.48Å | 1.47Å | |
| N22 | C23 | sing | 1.35Å | 1.39Å | |
| N22 | C12 | sing | 1.47Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C23 | O26 | doub | 1.22Å | 1.23Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C8 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| N3 | C4 | sing | 1.37Å | 1.37Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C10 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O6 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N5 | sing | 1.35Å | 1.38Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C16 | sing | 1.53Å | 1.53Å | |
| C4 | N5 | sing | 1.37Å | 1.38Å | |
| C4 | N21 | doub | 1.30Å | 1.29Å | |
| N5 | C25 | sing | 1.46Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| N21 | H26 | sing | 0.97Å | 1.00Å | |
| N22 | H28 | sing | 0.97Å | 1.00Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| N3 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N32 | C31 | C30 | 124.2° | 120.8° |
| C31 | N32 | C29 | 116.2° | 122.0° |
| N32 | C31 | H37 | 117.9° | 119.6° |
| C31 | C30 | C27 | 117.7° | 119.0° |
| C31 | C30 | H36 | 121.2° | 120.4° |
| C30 | C31 | H37 | 117.9° | 119.6° |
| N32 | C29 | C28 | 124.4° | 120.9° |
| N32 | C29 | H35 | 117.8° | 119.5° |
| C30 | C27 | C28 | 120.2° | 118.1° |
| C30 | C27 | C23 | 120.6° | 120.9° |
| C27 | C30 | H36 | 121.1° | 120.5° |
| C29 | C28 | C27 | 117.3° | 119.0° |
| C29 | C28 | H34 | 121.3° | 120.5° |
| C28 | C29 | H35 | 117.8° | 119.6° |
| C28 | C27 | C23 | 119.2° | 121.0° |
| C27 | C28 | H34 | 121.4° | 120.5° |
| C27 | C23 | N22 | 114.8° | 120.0° |
| C27 | C23 | O26 | 119.7° | 120.0° |
| C23 | N22 | C12 | 118.9° | 120.0° |
| N22 | C23 | O26 | 125.4° | 120.0° |
| C23 | N22 | H28 | 120.5° | 120.0° |
| N22 | C12 | C13 | 110.8° | 109.5° |
| N22 | C12 | C11 | 111.9° | 109.5° |
| N22 | C12 | H9 | 107.7° | 109.4° |
| C12 | N22 | H28 | 120.5° | 120.0° |
| C12 | C13 | C14 | 109.5° | 109.4° |
| C13 | C12 | C11 | 112.7° | 109.5° |
| C13 | C12 | H9 | 106.7° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C13 | C14 | C15 | 108.4° | 109.5° |
| C14 | C13 | H10 | 109.5° | 109.5° |
| C14 | C13 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.8° | 109.5° |
| C13 | C14 | H13 | 109.7° | 109.5° |
| C12 | C11 | C8 | 109.3° | 109.5° |
| C12 | C11 | H7 | 109.5° | 109.5° |
| C12 | C11 | H8 | 109.5° | 109.4° |
| C11 | C12 | H9 | 106.6° | 109.5° |
| C11 | C8 | C15 | 110.6° | 109.5° |
| C11 | C8 | C24 | 112.7° | 109.5° |
| C11 | C8 | H3 | 108.3° | 109.5° |
| C8 | C11 | H7 | 109.5° | 109.5° |
| C8 | C11 | H8 | 109.5° | 109.5° |
| C14 | C15 | C8 | 110.0° | 109.5° |
| C15 | C14 | H12 | 109.7° | 109.4° |
| C15 | C14 | H13 | 109.8° | 109.5° |
| C14 | C15 | H14 | 109.3° | 109.5° |
| C14 | C15 | H15 | 109.3° | 109.4° |
| C15 | C8 | C24 | 108.5° | 109.5° |
| C15 | C8 | H3 | 108.2° | 109.5° |
| C8 | C15 | H14 | 109.4° | 109.5° |
| C8 | C15 | H15 | 109.3° | 109.5° |
| C8 | C24 | C2 | 115.6° | 109.5° |
| C24 | C8 | H3 | 108.3° | 109.5° |
| C8 | C24 | H29 | 107.9° | 109.5° |
| C8 | C24 | H30 | 107.9° | 109.5° |
| C24 | C2 | C7 | 108.3° | 110.5° |
| C24 | C2 | N3 | 113.8° | 110.5° |
| C24 | C2 | C1 | 112.0° | 110.4° |
| C2 | C24 | H29 | 107.9° | 109.4° |
| C2 | C24 | H30 | 107.9° | 109.5° |
| C2 | C7 | C9 | 115.1° | 109.5° |
| C7 | C2 | N3 | 108.9° | 110.4° |
| C7 | C2 | C1 | 111.6° | 110.5° |
| C2 | C7 | H1 | 108.0° | 109.5° |
| C2 | C7 | H2 | 108.0° | 109.5° |
| C7 | C9 | C10 | 114.6° | 109.5° |
| C9 | C7 | H1 | 108.0° | 109.5° |
| C9 | C7 | H2 | 108.1° | 109.5° |
| C7 | C9 | H4 | 108.2° | 109.5° |
| C7 | C9 | H5 | 108.2° | 109.4° |
| N3 | C2 | C1 | 102.1° | 104.4° |
| C2 | N3 | C4 | 110.6° | 106.6° |
| C2 | N3 | H38 | 124.7° | 126.7° |
| C2 | C1 | O6 | 125.2° | 126.8° |
| C2 | C1 | N5 | 107.5° | 106.5° |
| N3 | C4 | N5 | 108.9° | 111.2° |
| N3 | C4 | N21 | 127.6° | 124.4° |
| C4 | N3 | H38 | 124.7° | 126.7° |
| C19 | C20 | C10 | 110.4° | 109.5° |
| C20 | C19 | C18 | 113.1° | 109.5° |
| C20 | C19 | H22 | 108.6° | 109.5° |
| C20 | C19 | H23 | 108.6° | 109.5° |
| C19 | C20 | H24 | 109.2° | 109.5° |
| C19 | C20 | H25 | 109.3° | 109.5° |
| C20 | C10 | C9 | 111.6° | 109.5° |
| C20 | C10 | C16 | 110.3° | 109.5° |
| C20 | C10 | H6 | 109.0° | 109.5° |
| C10 | C20 | H24 | 109.2° | 109.5° |
| C10 | C20 | H25 | 109.2° | 109.5° |
| C19 | C18 | C17 | 112.2° | 109.5° |
| C19 | C18 | H20 | 108.8° | 109.5° |
| C19 | C18 | H21 | 108.8° | 109.5° |
| C18 | C19 | H22 | 108.6° | 109.4° |
| C18 | C19 | H23 | 108.5° | 109.5° |
| O6 | C1 | N5 | 127.2° | 126.7° |
| C1 | N5 | C4 | 110.9° | 111.3° |
| C1 | N5 | C25 | 123.4° | 124.4° |
| C9 | C10 | C16 | 108.0° | 109.4° |
| C10 | C9 | H4 | 108.2° | 109.5° |
| C10 | C9 | H5 | 108.2° | 109.5° |
| C9 | C10 | H6 | 109.0° | 109.5° |
| C10 | C16 | C17 | 113.8° | 109.5° |
| C16 | C10 | H6 | 108.9° | 109.5° |
| C10 | C16 | H16 | 108.4° | 109.5° |
| C10 | C16 | H17 | 108.4° | 109.5° |
| N5 | C4 | N21 | 123.4° | 124.4° |
| C4 | N5 | C25 | 125.7° | 124.3° |
| C4 | N21 | H26 | 112.0° | 120.0° |
| N5 | C25 | H31 | 109.5° | 109.5° |
| N5 | C25 | H32 | 109.5° | 109.5° |
| N5 | C25 | H33 | 109.5° | 109.4° |
| C18 | C17 | C16 | 111.5° | 109.4° |
| C18 | C17 | H18 | 109.0° | 109.5° |
| C18 | C17 | H19 | 108.9° | 109.4° |
| C17 | C18 | H20 | 108.8° | 109.5° |
| C17 | C18 | H21 | 108.8° | 109.4° |
| C17 | C16 | H16 | 108.4° | 109.4° |
| C17 | C16 | H17 | 108.4° | 109.5° |
| C16 | C17 | H18 | 109.0° | 109.5° |
| C16 | C17 | H19 | 109.0° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H24 | C20 | H25 | 109.5° | 109.4° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H33 | 109.4° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N32 | C31 | C30 | H37 | 180.0° | 179.1° |
| N32 | C31 | C30 | C27 | 0.6° | 0.6° |
| C31 | N32 | C29 | C28 | 0.7° | 0.7° |
| C31 | N32 | C29 | H35 | 179.2° | 179.4° |
| N32 | C31 | C30 | H36 | 179.4° | 179.4° |
| C30 | C31 | N32 | C29 | 0.1° | 0.9° |
| C31 | C30 | C27 | H36 | 180.0° | 179.9° |
| C31 | C30 | C27 | C28 | 0.6° | 0.1° |
| C31 | C30 | C27 | C23 | 179.2° | 179.7° |
| N32 | C29 | C28 | H35 | 180.0° | 179.9° |
| N32 | C29 | C28 | C27 | 0.7° | 0.1° |
| N32 | C29 | C28 | H34 | 179.3° | 180.0° |
| C29 | N32 | C31 | H37 | 180.0° | 179.9° |
| C30 | C27 | C28 | C29 | 0.0° | 0.2° |
| C30 | C27 | C28 | C23 | 179.8° | 179.8° |
| C30 | C27 | C23 | N22 | 11.6° | 0.2° |
| C30 | C27 | C23 | O26 | 167.9° | 179.7° |
| C30 | C27 | C28 | H34 | 180.0° | 179.8° |
| C27 | C30 | C31 | H37 | 179.4° | 179.7° |
| C29 | C28 | C27 | H34 | 180.0° | 180.0° |
| C29 | C28 | C27 | C23 | 179.8° | 180.0° |
| C28 | C27 | C23 | N22 | 168.6° | 180.0° |
| C28 | C27 | C23 | O26 | 11.9° | 0.0° |
| C27 | C28 | C29 | H35 | 179.3° | 180.0° |
| C28 | C27 | C30 | H36 | 179.4° | 180.0° |
| C27 | C23 | N22 | O26 | 179.4° | 180.0° |
| C27 | C23 | N22 | C12 | 177.4° | 180.0° |
| C27 | C23 | N22 | H28 | 2.6° | 0.0° |
| C23 | C27 | C28 | H34 | 0.2° | 0.0° |
| C23 | C27 | C30 | H36 | 0.8° | 0.2° |
| C23 | N22 | C12 | H28 | 180.0° | 180.0° |
| C23 | N22 | C12 | C13 | 142.6° | 85.0° |
| C23 | N22 | C12 | C11 | 90.6° | 155.0° |
| C23 | N22 | C12 | H9 | 26.3° | 35.0° |
| N22 | C12 | C13 | C11 | 126.3° | 120.0° |
| N22 | C12 | C13 | H9 | 117.0° | 119.9° |
| N22 | C12 | C13 | C14 | 176.0° | 180.0° |
| C12 | N22 | C23 | O26 | 2.0° | 0.0° |
| N22 | C12 | C11 | H9 | 117.5° | 119.9° |
| N22 | C12 | C11 | C8 | 179.6° | 180.0° |
| N22 | C12 | C11 | H7 | 59.7° | 60.0° |
| N22 | C12 | C11 | H8 | 60.4° | 60.0° |
| N22 | C12 | C13 | H10 | 64.0° | 60.0° |
| N22 | C12 | C13 | H11 | 56.0° | 60.0° |
| C12 | C13 | C14 | H10 | 120.0° | 120.0° |
| C12 | C13 | C14 | H11 | 120.0° | 120.0° |
| C13 | C12 | C11 | H9 | 116.7° | 120.1° |
| C13 | C12 | C11 | C8 | 54.6° | 60.0° |
| C12 | C13 | C14 | C15 | 59.9° | 60.0° |
| C13 | C12 | C11 | H7 | 174.6° | 60.0° |
| C13 | C12 | C11 | H8 | 65.3° | 180.0° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C12 | C13 | C14 | H12 | 179.7° | 179.9° |
| C12 | C13 | C14 | H13 | 60.0° | 60.0° |
| C13 | C12 | N22 | H28 | 37.4° | 95.0° |
| C14 | C13 | C12 | C11 | 57.6° | 60.0° |
| C13 | C14 | C15 | H12 | 119.8° | 120.0° |
| C13 | C14 | C15 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | C8 | 62.2° | 60.0° |
| C14 | C13 | C12 | H9 | 59.1° | 60.1° |
| C14 | C13 | H10 | H11 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.5° | 120.0° |
| C13 | C14 | C15 | H14 | 57.9° | 180.0° |
| C13 | C14 | C15 | H15 | 177.8° | 60.0° |
| O26 | C23 | N22 | H28 | 178.0° | 180.0° |
| C12 | C11 | C8 | H7 | 120.0° | 120.0° |
| C12 | C11 | C8 | H8 | 120.0° | 120.0° |
| C12 | C11 | C8 | C15 | 55.3° | 60.0° |
| C12 | C11 | C8 | C24 | 177.1° | 180.0° |
| C12 | C11 | C8 | H3 | 63.1° | 60.0° |
| C12 | C11 | H7 | H8 | 120.1° | 120.0° |
| C11 | C12 | C13 | H10 | 62.4° | 60.0° |
| C11 | C12 | C13 | H11 | 177.6° | 180.0° |
| C11 | C12 | N22 | H28 | 89.4° | 25.0° |
| C11 | C8 | C15 | C14 | 60.5° | 60.0° |
| C11 | C8 | C15 | C24 | 124.2° | 120.0° |
| C11 | C8 | C15 | H3 | 118.5° | 120.0° |
| C11 | C8 | C24 | H3 | 119.8° | 120.0° |
| C11 | C8 | C24 | C2 | 135.9° | 170.2° |
| C8 | C11 | H7 | H8 | 120.1° | 120.0° |
| C8 | C11 | C12 | H9 | 62.1° | 60.1° |
| C11 | C8 | C15 | H14 | 59.5° | 180.0° |
| C11 | C8 | C15 | H15 | 179.4° | 60.0° |
| C11 | C8 | C24 | H29 | 15.0° | 69.9° |
| C11 | C8 | C24 | H30 | 103.2° | 50.2° |
| C14 | C15 | C8 | H14 | 120.1° | 120.0° |
| C14 | C15 | C8 | H15 | 120.1° | 120.0° |
| C14 | C15 | C8 | C24 | 175.3° | 180.0° |
| C14 | C15 | C8 | H3 | 58.0° | 60.0° |
| C15 | C14 | C13 | H10 | 60.1° | 60.0° |
| C15 | C14 | C13 | H11 | 179.9° | 180.0° |
| C15 | C14 | H12 | H13 | 120.5° | 120.0° |
| C14 | C15 | H14 | H15 | 119.8° | 119.9° |
| C15 | C8 | C24 | H3 | 117.3° | 120.0° |
| C15 | C8 | C24 | C2 | 101.2° | 69.8° |
| C15 | C8 | C11 | H7 | 175.3° | 60.0° |
| C15 | C8 | C11 | H8 | 64.7° | 180.0° |
| C8 | C15 | C14 | H12 | 178.0° | 180.0° |
| C8 | C15 | C14 | H13 | 57.7° | 60.0° |
| C8 | C15 | H14 | H15 | 119.8° | 120.1° |
| C15 | C8 | C24 | H29 | 137.9° | 50.1° |
| C15 | C8 | C24 | H30 | 19.7° | 170.2° |
| C8 | C24 | C2 | H29 | 120.9° | 120.0° |
| C8 | C24 | C2 | H30 | 120.9° | 120.0° |
| C8 | C24 | C2 | C7 | 174.5° | 173.4° |
| C8 | C24 | C2 | N3 | 53.2° | 64.1° |
| C8 | C24 | C2 | C1 | 62.0° | 50.9° |
| C24 | C8 | C11 | H7 | 63.0° | 60.0° |
| C24 | C8 | C11 | H8 | 57.1° | 60.0° |
| C24 | C8 | C15 | H14 | 64.6° | 60.0° |
| C24 | C8 | C15 | H15 | 55.2° | 60.0° |
| C8 | C24 | H29 | H30 | 117.2° | 120.0° |
| C24 | C2 | C7 | N3 | 124.3° | 122.5° |
| C24 | C2 | C7 | C1 | 123.7° | 122.5° |
| C24 | C2 | C7 | C9 | 170.5° | 178.2° |
| C24 | C2 | N3 | C1 | 120.9° | 118.7° |
| C24 | C2 | N3 | C4 | 122.3° | 118.7° |
| C24 | C2 | C1 | O6 | 61.6° | 61.0° |
| C24 | C2 | C1 | N5 | 122.4° | 118.8° |
| C24 | C2 | C7 | H1 | 49.7° | 58.2° |
| C24 | C2 | C7 | H2 | 68.6° | 61.8° |
| C2 | C24 | C8 | H3 | 16.1° | 50.2° |
| C2 | C24 | H29 | H30 | 117.2° | 120.0° |
| C24 | C2 | N3 | H38 | 57.7° | 61.3° |
| C2 | C7 | C9 | H1 | 120.8° | 120.0° |
| C2 | C7 | C9 | H2 | 120.8° | 120.0° |
| C7 | C2 | N3 | C1 | 118.1° | 118.7° |
| C7 | C2 | N3 | C4 | 116.7° | 118.8° |
| C7 | C2 | C1 | O6 | 60.0° | 61.5° |
| C7 | C2 | C1 | N5 | 115.9° | 118.7° |
| C2 | C7 | C9 | C10 | 168.2° | 180.0° |
| C2 | C7 | H1 | H2 | 117.4° | 120.0° |
| C2 | C7 | C9 | H4 | 47.4° | 60.0° |
| C2 | C7 | C9 | H5 | 71.1° | 60.0° |
| C7 | C2 | C24 | H29 | 64.6° | 66.6° |
| C7 | C2 | C24 | H30 | 53.6° | 53.4° |
| C7 | C2 | N3 | H38 | 63.3° | 61.3° |
| C9 | C7 | C2 | N3 | 65.2° | 59.3° |
| C9 | C7 | C2 | C1 | 46.8° | 55.7° |
| C7 | C9 | C10 | C20 | 72.8° | 65.0° |
| C7 | C9 | C10 | H4 | 120.7° | 120.0° |
| C7 | C9 | C10 | H5 | 120.8° | 119.9° |
| C7 | C9 | C10 | C16 | 165.7° | 175.0° |
| C9 | C7 | H1 | H2 | 117.5° | 120.0° |
| C7 | C9 | H4 | H5 | 117.7° | 119.9° |
| C7 | C9 | C10 | H6 | 47.5° | 55.1° |
| C2 | N3 | C4 | H38 | 180.0° | 180.0° |
| N3 | C2 | C1 | O6 | 176.3° | 179.8° |
| N3 | C2 | C1 | N5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N5 | 2.1° | 0.0° |
| C2 | N3 | C4 | N21 | 178.9° | 180.0° |
| N3 | C2 | C7 | H1 | 174.0° | 179.3° |
| N3 | C2 | C7 | H2 | 55.7° | 60.7° |
| N3 | C2 | C24 | H29 | 174.1° | 55.9° |
| N3 | C2 | C24 | H30 | 67.7° | 175.9° |
| C1 | C2 | N3 | C4 | 1.5° | 0.0° |
| C2 | C1 | O6 | N5 | 175.2° | 179.7° |
| C2 | C1 | N5 | C4 | 0.9° | 0.0° |
| C2 | C1 | N5 | C25 | 177.4° | 180.0° |
| C1 | C2 | C7 | H1 | 74.0° | 64.3° |
| C1 | C2 | C7 | H2 | 167.6° | 175.7° |
| C1 | C2 | C24 | H29 | 58.9° | 170.9° |
| C1 | C2 | C24 | H30 | 177.1° | 69.1° |
| C1 | C2 | N3 | H38 | 178.5° | 180.0° |
| N3 | C4 | N5 | C1 | 1.9° | 0.0° |
| N3 | C4 | N5 | N21 | 179.0° | 179.9° |
| N3 | C4 | N5 | C25 | 176.4° | 180.0° |
| N3 | C4 | N21 | H26 | 178.8° | 180.0° |
| C19 | C20 | C10 | H24 | 120.2° | 120.0° |
| C19 | C20 | C10 | H25 | 120.1° | 120.0° |
| C20 | C19 | C18 | H22 | 120.5° | 120.0° |
| C20 | C19 | C18 | H23 | 120.5° | 120.1° |
| C19 | C20 | C10 | C9 | 175.8° | 180.0° |
| C19 | C20 | C10 | C16 | 55.7° | 60.0° |
| C20 | C19 | C18 | C17 | 52.8° | 60.0° |
| C19 | C20 | C10 | H6 | 63.8° | 60.0° |
| C20 | C19 | C18 | H20 | 67.6° | 180.0° |
| C20 | C19 | C18 | H21 | 173.1° | 60.0° |
| C20 | C19 | H22 | H23 | 118.4° | 120.0° |
| C19 | C20 | H24 | H25 | 119.6° | 120.0° |
| C10 | C20 | C19 | C18 | 55.8° | 60.0° |
| C20 | C10 | C9 | C16 | 121.4° | 120.0° |
| C20 | C10 | C9 | H6 | 120.4° | 120.0° |
| C20 | C10 | C16 | H6 | 119.6° | 120.0° |
| C20 | C10 | C16 | C17 | 55.2° | 60.1° |
| C20 | C10 | C9 | H4 | 166.4° | 175.0° |
| C20 | C10 | C9 | H5 | 47.9° | 54.9° |
| C20 | C10 | C16 | H16 | 175.9° | 180.0° |
| C20 | C10 | C16 | H17 | 65.4° | 59.9° |
| C10 | C20 | C19 | H22 | 176.3° | 60.0° |
| C10 | C20 | C19 | H23 | 64.8° | 180.0° |
| C10 | C20 | H24 | H25 | 119.5° | 120.0° |
| C19 | C18 | C17 | H20 | 120.4° | 120.0° |
| C19 | C18 | C17 | H21 | 120.4° | 120.0° |
| C19 | C18 | C17 | C16 | 49.6° | 60.0° |
| C19 | C18 | C17 | H18 | 169.8° | 60.0° |
| C19 | C18 | C17 | H19 | 70.8° | 180.0° |
| C19 | C18 | H20 | H21 | 118.8° | 120.0° |
| C18 | C19 | H22 | H23 | 118.3° | 120.0° |
| C18 | C19 | C20 | H24 | 175.9° | 60.0° |
| C18 | C19 | C20 | H25 | 64.4° | 180.0° |
| O6 | C1 | N5 | C4 | 174.9° | 179.8° |
| O6 | C1 | N5 | C25 | 6.8° | 0.2° |
| C1 | N5 | C4 | C25 | 178.3° | 180.0° |
| C1 | N5 | C4 | N21 | 179.1° | 180.0° |
| C1 | N5 | C25 | H31 | 180.0° | 90.0° |
| C1 | N5 | C25 | H32 | 60.0° | 150.0° |
| C1 | N5 | C25 | H33 | 60.0° | 30.0° |
| C9 | C10 | C16 | H6 | 118.2° | 120.0° |
| C9 | C10 | C16 | C17 | 177.5° | 179.9° |
| C10 | C9 | C7 | H1 | 71.0° | 60.0° |
| C10 | C9 | C7 | H2 | 47.4° | 60.0° |
| C10 | C9 | H4 | H5 | 117.6° | 120.1° |
| C9 | C10 | C16 | H16 | 61.9° | 60.1° |
| C9 | C10 | C16 | H17 | 56.8° | 60.0° |
| C9 | C10 | C20 | H24 | 64.1° | 60.0° |
| C9 | C10 | C20 | H25 | 55.7° | 60.0° |
| C10 | C16 | C17 | C18 | 51.9° | 60.0° |
| C10 | C16 | C17 | H16 | 120.7° | 119.9° |
| C10 | C16 | C17 | H17 | 120.6° | 120.1° |
| C16 | C10 | C9 | H4 | 45.0° | 55.0° |
| C16 | C10 | C9 | H5 | 73.5° | 65.1° |
| C10 | C16 | H16 | H17 | 118.0° | 120.1° |
| C10 | C16 | C17 | H18 | 172.2° | 60.0° |
| C10 | C16 | C17 | H19 | 68.4° | 180.0° |
| C16 | C10 | C20 | H24 | 175.9° | 60.0° |
| C16 | C10 | C20 | H25 | 64.4° | 179.9° |
| N5 | C4 | N21 | H26 | 0.0° | 0.1° |
| C4 | N5 | C25 | H31 | 1.9° | 90.0° |
| C4 | N5 | C25 | H32 | 118.1° | 30.0° |
| C4 | N5 | C25 | H33 | 121.9° | 150.0° |
| N5 | C4 | N3 | H38 | 177.9° | 180.0° |
| N21 | C4 | N5 | C25 | 2.7° | 0.0° |
| N21 | C4 | N3 | H38 | 1.1° | 0.0° |
| N5 | C25 | H31 | H32 | 120.0° | 120.0° |
| N5 | C25 | H31 | H33 | 120.0° | 120.0° |
| N5 | C25 | H32 | H33 | 120.0° | 120.0° |
| C18 | C17 | C16 | H18 | 120.3° | 120.0° |
| C18 | C17 | C16 | H19 | 120.3° | 119.9° |
| C18 | C17 | C16 | H16 | 172.6° | 180.0° |
| C18 | C17 | C16 | H17 | 68.7° | 60.0° |
| C18 | C17 | H18 | H19 | 119.1° | 120.0° |
| C17 | C18 | H20 | H21 | 118.8° | 120.0° |
| C17 | C18 | C19 | H22 | 173.3° | 60.0° |
| C17 | C18 | C19 | H23 | 67.8° | 180.0° |
| C17 | C16 | C10 | H6 | 64.3° | 60.0° |
| C17 | C16 | H16 | H17 | 118.0° | 120.0° |
| C16 | C17 | H18 | H19 | 119.1° | 120.0° |
| C16 | C17 | C18 | H20 | 70.8° | 180.0° |
| C16 | C17 | C18 | H21 | 170.0° | 60.0° |
| H1 | C7 | C9 | H4 | 168.2° | 180.0° |
| H1 | C7 | C9 | H5 | 49.7° | 60.0° |
| H2 | C7 | C9 | H4 | 73.4° | 60.0° |
| H2 | C7 | C9 | H5 | 168.1° | 180.0° |
| H3 | C8 | C11 | H7 | 56.8° | 180.0° |
| H3 | C8 | C11 | H8 | 176.9° | 60.0° |
| H3 | C8 | C15 | H14 | 178.1° | 60.0° |
| H3 | C8 | C15 | H15 | 62.1° | 180.0° |
| H3 | C8 | C24 | H29 | 104.8° | 170.1° |
| H3 | C8 | C24 | H30 | 137.0° | 69.8° |
| H4 | C9 | C10 | H6 | 73.2° | 65.0° |
| H5 | C9 | C10 | H6 | 168.3° | 174.9° |
| H6 | C10 | C16 | H16 | 56.3° | 59.9° |
| H6 | C10 | C16 | H17 | 175.0° | 180.0° |
| H6 | C10 | C20 | H24 | 56.3° | 180.0° |
| H6 | C10 | C20 | H25 | 176.0° | 60.0° |
| H7 | C11 | C12 | H9 | 57.9° | 179.9° |
| H8 | C11 | C12 | H9 | 177.9° | 59.9° |
| H9 | C12 | C13 | H10 | 179.1° | 179.9° |
| H9 | C12 | C13 | H11 | 61.0° | 60.0° |
| H9 | C12 | N22 | H28 | 153.7° | 145.0° |
| H10 | C13 | C14 | H12 | 59.7° | 60.0° |
| H10 | C13 | C14 | H13 | 180.0° | 180.0° |
| H11 | C13 | C14 | H12 | 60.3° | 60.0° |
| H11 | C13 | C14 | H13 | 60.0° | 60.0° |
| H12 | C14 | C15 | H14 | 61.9° | 60.0° |
| H12 | C14 | C15 | H15 | 57.9° | 60.0° |
| H13 | C14 | C15 | H14 | 177.8° | 60.0° |
| H13 | C14 | C15 | H15 | 62.4° | 179.9° |
| H16 | C16 | C17 | H18 | 67.1° | 60.0° |
| H16 | C16 | C17 | H19 | 52.3° | 60.1° |
| H17 | C16 | C17 | H18 | 51.6° | 180.0° |
| H17 | C16 | C17 | H19 | 171.0° | 59.9° |
| H18 | C17 | C18 | H20 | 49.5° | 60.0° |
| H18 | C17 | C18 | H21 | 69.8° | 180.0° |
| H19 | C17 | C18 | H20 | 168.9° | 60.0° |
| H19 | C17 | C18 | H21 | 49.6° | 60.0° |
| H20 | C18 | C19 | H22 | 52.9° | 60.0° |
| H20 | C18 | C19 | H23 | 171.8° | 59.9° |
| H21 | C18 | C19 | H22 | 66.3° | 180.0° |
| H21 | C18 | C19 | H23 | 52.6° | 60.1° |
| H22 | C19 | C20 | H24 | 63.6° | 180.0° |
| H22 | C19 | C20 | H25 | 56.2° | 60.0° |
| H23 | C19 | C20 | H24 | 55.4° | 60.0° |
| H23 | C19 | C20 | H25 | 175.1° | 60.0° |
| H31 | C25 | H32 | H33 | 120.0° | 120.0° |
| H34 | C28 | C29 | H35 | 0.7° | 0.0° |
| H36 | C30 | C31 | H37 | 0.6° | 0.3° |
