3KW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.36Å | 1.38Å | Aromatic |
| C34 | C29 | sing | 1.40Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| N28 | C29 | doub | 1.34Å | 1.34Å | Aromatic |
| N28 | C25 | sing | 1.32Å | 1.34Å | Aromatic |
| C29 | C30 | sing | 1.42Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.36Å | 1.38Å | Aromatic |
| N22 | C25 | sing | 1.39Å | 1.41Å | |
| N22 | C12 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | C27 | doub | 1.41Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C2 | sing | 1.53Å | 1.54Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C2 | N3 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C10 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| N3 | C4 | sing | 1.37Å | 1.36Å | |
| O6 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N5 | sing | 1.35Å | 1.36Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C16 | sing | 1.53Å | 1.53Å | |
| C4 | N5 | sing | 1.37Å | 1.38Å | |
| C4 | N21 | doub | 1.30Å | 1.29Å | |
| N5 | C24 | sing | 1.46Å | 1.45Å | |
| 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 | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å | |
| C34 | H39 | sing | 1.08Å | 1.08Å | |
| N3 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C29 | 121.3° | 119.8° |
| C34 | C33 | C32 | 120.1° | 121.0° |
| C34 | C33 | H38 | 120.0° | 119.5° |
| C33 | C34 | H39 | 119.3° | 120.1° |
| C34 | C29 | N28 | 120.6° | 120.9° |
| C34 | C29 | C30 | 117.6° | 119.1° |
| C29 | C34 | H39 | 119.3° | 120.1° |
| C33 | C32 | C31 | 119.5° | 120.9° |
| C33 | C32 | H37 | 120.2° | 119.5° |
| C32 | C33 | H38 | 119.9° | 119.5° |
| C29 | N28 | C25 | 119.3° | 121.2° |
| N28 | C29 | C30 | 121.8° | 119.9° |
| N28 | C25 | N22 | 116.7° | 119.3° |
| N28 | C25 | C26 | 121.4° | 121.6° |
| C29 | C30 | C31 | 121.8° | 119.6° |
| C29 | C30 | C27 | 118.9° | 119.1° |
| C32 | C31 | C30 | 119.7° | 119.6° |
| C32 | C31 | H36 | 120.1° | 120.2° |
| C31 | C32 | H37 | 120.3° | 119.6° |
| C25 | N22 | C12 | 117.5° | 120.0° |
| N22 | C25 | C26 | 121.9° | 119.2° |
| C25 | N22 | H28 | 107.4° | 120.0° |
| N22 | C12 | C13 | 104.6° | 109.4° |
| N22 | C12 | C11 | 109.2° | 109.5° |
| N22 | C12 | H9 | 111.4° | 109.5° |
| C12 | N22 | H28 | 107.5° | 120.0° |
| C25 | C26 | C27 | 119.5° | 119.8° |
| C25 | C26 | H34 | 120.3° | 120.1° |
| C31 | C30 | C27 | 119.3° | 121.3° |
| C30 | C31 | H36 | 120.1° | 120.2° |
| C30 | C27 | C26 | 119.1° | 118.3° |
| C30 | C27 | H35 | 120.5° | 120.9° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C13 | C12 | C11 | 110.9° | 109.5° |
| C13 | C12 | H9 | 110.3° | 109.4° |
| C12 | C13 | H10 | 109.4° | 109.4° |
| C12 | C13 | H11 | 109.4° | 109.5° |
| C13 | C14 | C15 | 108.3° | 109.5° |
| C14 | C13 | H10 | 109.4° | 109.5° |
| C14 | C13 | H11 | 109.4° | 109.5° |
| C13 | C14 | H12 | 109.8° | 109.5° |
| C13 | C14 | H13 | 109.8° | 109.5° |
| C12 | C11 | C8 | 111.5° | 109.4° |
| C12 | C11 | H7 | 108.9° | 109.5° |
| C12 | C11 | H8 | 109.0° | 109.4° |
| C11 | C12 | H9 | 110.2° | 109.5° |
| C27 | C26 | H34 | 120.2° | 120.1° |
| C26 | C27 | H35 | 120.4° | 120.8° |
| C11 | C8 | C15 | 111.9° | 109.5° |
| C11 | C8 | C23 | 114.5° | 109.5° |
| C11 | C8 | H3 | 106.5° | 109.5° |
| C8 | C11 | H7 | 109.0° | 109.5° |
| C8 | C11 | H8 | 109.0° | 109.5° |
| C14 | C15 | C8 | 109.8° | 109.5° |
| C15 | C14 | H12 | 109.7° | 109.4° |
| C15 | C14 | H13 | 109.7° | 109.5° |
| C14 | C15 | H14 | 109.4° | 109.5° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C15 | C8 | C23 | 110.3° | 109.5° |
| C15 | C8 | H3 | 106.7° | 109.5° |
| C8 | C15 | H14 | 109.4° | 109.5° |
| C8 | C15 | H15 | 109.4° | 109.5° |
| C8 | C23 | C2 | 116.2° | 109.5° |
| C23 | C8 | H3 | 106.5° | 109.4° |
| C8 | C23 | H29 | 107.8° | 109.5° |
| C8 | C23 | H30 | 107.8° | 109.5° |
| C23 | C2 | C7 | 109.7° | 110.5° |
| C23 | C2 | N3 | 112.9° | 110.5° |
| C23 | C2 | C1 | 110.2° | 110.5° |
| C2 | C23 | H29 | 107.8° | 109.5° |
| C2 | C23 | H30 | 107.8° | 109.5° |
| C2 | C7 | C9 | 115.4° | 109.5° |
| C7 | C2 | N3 | 109.8° | 110.4° |
| C7 | C2 | C1 | 111.5° | 110.4° |
| C2 | C7 | H1 | 107.9° | 109.5° |
| C2 | C7 | H2 | 108.0° | 109.5° |
| C7 | C9 | C10 | 114.9° | 109.5° |
| C9 | C7 | H1 | 108.0° | 109.5° |
| C9 | C7 | H2 | 108.0° | 109.5° |
| C7 | C9 | H4 | 108.1° | 109.5° |
| C7 | C9 | H5 | 108.1° | 109.5° |
| N3 | C2 | C1 | 102.6° | 104.4° |
| C2 | N3 | C4 | 110.3° | 106.6° |
| C2 | N3 | H40 | 124.8° | 126.7° |
| C2 | C1 | O6 | 125.0° | 126.7° |
| C2 | C1 | N5 | 106.9° | 106.6° |
| C19 | C20 | C10 | 112.5° | 109.5° |
| C20 | C19 | C18 | 111.7° | 109.5° |
| C20 | C19 | H22 | 108.9° | 109.5° |
| C20 | C19 | H23 | 108.9° | 109.5° |
| C19 | C20 | H24 | 108.7° | 109.5° |
| C19 | C20 | H25 | 108.7° | 109.5° |
| C20 | C10 | C9 | 112.9° | 109.5° |
| C20 | C10 | C16 | 109.3° | 109.5° |
| C20 | C10 | H6 | 108.4° | 109.5° |
| C10 | C20 | H24 | 108.7° | 109.4° |
| C10 | C20 | H25 | 108.7° | 109.5° |
| C19 | C18 | C17 | 110.3° | 109.5° |
| C19 | C18 | H20 | 109.3° | 109.5° |
| C19 | C18 | H21 | 109.3° | 109.5° |
| C18 | C19 | H22 | 108.9° | 109.5° |
| C18 | C19 | H23 | 108.9° | 109.5° |
| N3 | C4 | N5 | 108.2° | 111.3° |
| N3 | C4 | N21 | 128.0° | 124.4° |
| C4 | N3 | H40 | 124.8° | 126.8° |
| O6 | C1 | N5 | 128.1° | 126.7° |
| C1 | N5 | C4 | 111.8° | 111.2° |
| C1 | N5 | C24 | 122.1° | 124.4° |
| C9 | C10 | C16 | 109.3° | 109.5° |
| C10 | C9 | H4 | 108.1° | 109.5° |
| C10 | C9 | H5 | 108.1° | 109.5° |
| C9 | C10 | H6 | 108.4° | 109.4° |
| C10 | C16 | C17 | 111.8° | 109.5° |
| C16 | C10 | H6 | 108.4° | 109.4° |
| C10 | C16 | H16 | 108.9° | 109.5° |
| C10 | C16 | H17 | 108.9° | 109.5° |
| N5 | C4 | N21 | 123.8° | 124.3° |
| C4 | N5 | C24 | 124.4° | 124.4° |
| C4 | N21 | H26 | 112.0° | 120.0° |
| N5 | C24 | H31 | 109.5° | 109.5° |
| N5 | C24 | H32 | 109.5° | 109.5° |
| N5 | C24 | H33 | 109.5° | 109.5° |
| C18 | C17 | C16 | 111.7° | 109.5° |
| C18 | C17 | H18 | 108.9° | 109.4° |
| C18 | C17 | H19 | 108.9° | 109.5° |
| C17 | C18 | H20 | 109.3° | 109.4° |
| C17 | C18 | H21 | 109.3° | 109.4° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H17 | 108.9° | 109.5° |
| C16 | C17 | H18 | 108.9° | 109.5° |
| C16 | C17 | H19 | 108.9° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 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° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H33 | 109.4° | 109.4° |
| H32 | C24 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C29 | H39 | 180.0° | 180.0° |
| C34 | C33 | C32 | H38 | 180.0° | 179.9° |
| C33 | C34 | C29 | N28 | 179.3° | 179.9° |
| C33 | C34 | C29 | C30 | 0.6° | 0.1° |
| C34 | C33 | C32 | C31 | 0.3° | 0.1° |
| C34 | C33 | C32 | H37 | 179.7° | 180.0° |
| C29 | C34 | C33 | C32 | 0.2° | 0.1° |
| C34 | C29 | N28 | C30 | 179.9° | 180.0° |
| C34 | C29 | N28 | C25 | 179.9° | 180.0° |
| C34 | C29 | C30 | C31 | 0.5° | 0.1° |
| C34 | C29 | C30 | C27 | 179.5° | 179.7° |
| C29 | C34 | C33 | H38 | 179.8° | 180.0° |
| C33 | C32 | C31 | H37 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.4° | 0.0° |
| C33 | C32 | C31 | H36 | 179.6° | 180.0° |
| C32 | C33 | C34 | H39 | 179.8° | 179.9° |
| C29 | N28 | C25 | N22 | 179.4° | 180.0° |
| C29 | N28 | C25 | C26 | 0.2° | 0.2° |
| N28 | C29 | C30 | C31 | 179.3° | 180.0° |
| N28 | C29 | C30 | C27 | 0.6° | 0.3° |
| N28 | C29 | C34 | H39 | 0.7° | 0.0° |
| C25 | N28 | C29 | C30 | 0.2° | 0.0° |
| N28 | C25 | N22 | C26 | 179.7° | 179.7° |
| N28 | C25 | N22 | C12 | 169.7° | 179.8° |
| N28 | C25 | C26 | C27 | 0.3° | 0.2° |
| N28 | C25 | N22 | H28 | 69.2° | 0.3° |
| N28 | C25 | C26 | H34 | 179.7° | 179.7° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | C27 | 180.0° | 179.7° |
| C29 | C30 | C27 | C26 | 0.5° | 0.3° |
| C29 | C30 | C27 | H35 | 179.5° | 179.8° |
| C29 | C30 | C31 | H36 | 179.9° | 180.0° |
| C30 | C29 | C34 | H39 | 179.4° | 179.9° |
| C32 | C31 | C30 | H36 | 180.0° | 180.0° |
| C32 | C31 | C30 | C27 | 180.0° | 179.7° |
| C31 | C32 | C33 | H38 | 179.7° | 180.0° |
| C25 | N22 | C12 | H28 | 121.1° | 179.9° |
| C25 | N22 | C12 | C13 | 139.3° | 85.0° |
| C25 | N22 | C12 | C11 | 101.9° | 155.0° |
| N22 | C25 | C26 | C27 | 179.3° | 179.9° |
| C25 | N22 | C12 | H9 | 20.1° | 34.9° |
| N22 | C25 | C26 | H34 | 0.7° | 0.0° |
| C12 | N22 | C25 | C26 | 10.7° | 0.0° |
| N22 | C12 | C13 | C11 | 117.6° | 120.0° |
| N22 | C12 | C13 | H9 | 120.0° | 120.0° |
| N22 | C12 | C13 | C14 | 175.5° | 180.0° |
| N22 | C12 | C11 | H9 | 122.8° | 120.1° |
| N22 | C12 | C11 | C8 | 166.1° | 180.0° |
| N22 | C12 | C11 | H7 | 73.5° | 60.0° |
| N22 | C12 | C11 | H8 | 45.8° | 60.1° |
| N22 | C12 | C13 | H10 | 55.5° | 60.0° |
| N22 | C12 | C13 | H11 | 64.5° | 60.0° |
| C25 | C26 | C27 | C30 | 0.1° | 0.1° |
| C25 | C26 | C27 | H34 | 180.0° | 179.9° |
| C26 | C25 | N22 | H28 | 110.5° | 179.9° |
| C25 | C26 | C27 | H35 | 179.9° | 180.0° |
| C31 | C30 | C27 | C26 | 179.4° | 180.0° |
| C31 | C30 | C27 | H35 | 0.6° | 0.1° |
| C30 | C31 | C32 | H37 | 179.6° | 180.0° |
| C30 | C27 | C26 | H35 | 180.0° | 179.9° |
| C30 | C27 | C26 | H34 | 179.9° | 180.0° |
| C27 | C30 | C31 | H36 | 0.0° | 0.3° |
| C12 | C13 | C14 | H10 | 120.1° | 120.0° |
| C12 | C13 | C14 | H11 | 120.1° | 120.0° |
| C13 | C12 | C11 | H9 | 122.5° | 120.0° |
| C13 | C12 | C11 | C8 | 51.4° | 60.0° |
| C12 | C13 | C14 | C15 | 63.2° | 60.0° |
| C13 | C12 | C11 | H7 | 171.7° | 60.0° |
| C13 | C12 | C11 | H8 | 68.9° | 180.0° |
| C12 | C13 | H10 | H11 | 119.9° | 120.0° |
| C12 | C13 | C14 | H12 | 177.0° | 180.0° |
| C12 | C13 | C14 | H13 | 56.6° | 60.0° |
| C13 | C12 | N22 | H28 | 99.6° | 95.1° |
| C14 | C13 | C12 | C11 | 57.9° | 60.0° |
| C13 | C14 | C15 | H12 | 119.8° | 120.0° |
| C13 | C14 | C15 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | C8 | 62.8° | 60.0° |
| C14 | C13 | C12 | H9 | 64.5° | 60.0° |
| C14 | C13 | H10 | H11 | 119.8° | 120.0° |
| C13 | C14 | H12 | H13 | 120.6° | 120.0° |
| C13 | C14 | C15 | H14 | 57.2° | 180.0° |
| C13 | C14 | C15 | H15 | 177.2° | 60.0° |
| C12 | C11 | C8 | H7 | 120.3° | 120.0° |
| C12 | C11 | C8 | H8 | 120.3° | 120.0° |
| C12 | C11 | C8 | C15 | 51.6° | 60.0° |
| C12 | C11 | C8 | C23 | 177.9° | 180.0° |
| C12 | C11 | C8 | H3 | 64.6° | 60.0° |
| C12 | C11 | H7 | H8 | 119.1° | 120.0° |
| C11 | C12 | C13 | H10 | 62.1° | 60.0° |
| C11 | C12 | C13 | H11 | 178.0° | 180.0° |
| C11 | C12 | N22 | H28 | 19.2° | 24.9° |
| C11 | C8 | C15 | C14 | 57.3° | 60.0° |
| C11 | C8 | C15 | C23 | 128.6° | 120.0° |
| C11 | C8 | C15 | H3 | 116.1° | 120.0° |
| C11 | C8 | C23 | H3 | 117.4° | 120.0° |
| C11 | C8 | C23 | C2 | 145.0° | 170.1° |
| C8 | C11 | H7 | H8 | 119.1° | 120.0° |
| C8 | C11 | C12 | H9 | 71.1° | 60.0° |
| C11 | C8 | C15 | H14 | 62.8° | 180.0° |
| C11 | C8 | C15 | H15 | 177.3° | 60.0° |
| C11 | C8 | C23 | H29 | 24.1° | 69.8° |
| C11 | C8 | C23 | H30 | 94.0° | 50.1° |
| C14 | C15 | C8 | H14 | 120.1° | 120.0° |
| C14 | C15 | C8 | H15 | 120.0° | 120.0° |
| C14 | C15 | C8 | C23 | 174.1° | 180.0° |
| C14 | C15 | C8 | H3 | 58.8° | 60.0° |
| C15 | C14 | C13 | H10 | 56.8° | 60.0° |
| C15 | C14 | C13 | H11 | 176.7° | 180.0° |
| C15 | C14 | H12 | H13 | 120.5° | 120.0° |
| C14 | C15 | H14 | H15 | 119.9° | 120.0° |
| C15 | C8 | C23 | H3 | 115.4° | 120.0° |
| C15 | C8 | C23 | C2 | 87.8° | 69.8° |
| C15 | C8 | C11 | H7 | 171.9° | 60.0° |
| C15 | C8 | C11 | H8 | 68.8° | 180.0° |
| C8 | C15 | C14 | H12 | 177.4° | 180.0° |
| C8 | C15 | C14 | H13 | 57.0° | 60.0° |
| C8 | C15 | H14 | H15 | 119.8° | 120.0° |
| C15 | C8 | C23 | H29 | 151.3° | 50.2° |
| C15 | C8 | C23 | H30 | 33.2° | 170.2° |
| C8 | C23 | C2 | H29 | 121.0° | 120.0° |
| C8 | C23 | C2 | H30 | 121.0° | 120.0° |
| C8 | C23 | C2 | C7 | 179.0° | 173.4° |
| C8 | C23 | C2 | N3 | 56.2° | 64.0° |
| C8 | C23 | C2 | C1 | 57.9° | 50.9° |
| C23 | C8 | C11 | H7 | 61.8° | 60.0° |
| C23 | C8 | C11 | H8 | 57.6° | 60.0° |
| C23 | C8 | C15 | H14 | 65.8° | 60.0° |
| C23 | C8 | C15 | H15 | 54.1° | 60.0° |
| C8 | C23 | H29 | H30 | 116.9° | 120.0° |
| C23 | C2 | C7 | N3 | 124.6° | 122.5° |
| C23 | C2 | C7 | C1 | 122.4° | 122.5° |
| C23 | C2 | C7 | C9 | 169.9° | 178.2° |
| C23 | C2 | N3 | C1 | 118.6° | 118.8° |
| C23 | C2 | N3 | C4 | 118.9° | 118.7° |
| C23 | C2 | C1 | O6 | 63.4° | 61.0° |
| C23 | C2 | C1 | N5 | 117.9° | 118.7° |
| C23 | C2 | C7 | H1 | 49.0° | 58.2° |
| C23 | C2 | C7 | H2 | 69.2° | 61.8° |
| C2 | C23 | C8 | H3 | 27.6° | 50.2° |
| C2 | C23 | H29 | H30 | 117.0° | 120.0° |
| C23 | C2 | N3 | H40 | 61.1° | 61.3° |
| C2 | C7 | C9 | H1 | 120.9° | 120.0° |
| C2 | C7 | C9 | H2 | 120.9° | 120.0° |
| C7 | C2 | N3 | C1 | 118.7° | 118.7° |
| C7 | C2 | N3 | C4 | 118.3° | 118.7° |
| C7 | C2 | C1 | O6 | 58.8° | 61.6° |
| C7 | C2 | C1 | N5 | 120.0° | 118.8° |
| C2 | C7 | C9 | C10 | 165.3° | 180.0° |
| C2 | C7 | H1 | H2 | 117.3° | 120.0° |
| C2 | C7 | C9 | H4 | 44.5° | 60.0° |
| C2 | C7 | C9 | H5 | 73.9° | 60.0° |
| C7 | C2 | C23 | H29 | 60.1° | 66.6° |
| C7 | C2 | C23 | H30 | 58.0° | 53.4° |
| C7 | C2 | N3 | H40 | 61.6° | 61.3° |
| C9 | C7 | C2 | N3 | 65.5° | 59.3° |
| C9 | C7 | C2 | C1 | 47.5° | 55.7° |
| C7 | C9 | C10 | C20 | 69.2° | 65.0° |
| C7 | C9 | C10 | H4 | 120.8° | 120.0° |
| C7 | C9 | C10 | H5 | 120.8° | 120.0° |
| C7 | C9 | C10 | C16 | 168.9° | 175.0° |
| C9 | C7 | H1 | H2 | 117.3° | 120.0° |
| C7 | C9 | H4 | H5 | 117.6° | 120.0° |
| C7 | C9 | C10 | H6 | 50.9° | 55.0° |
| C2 | N3 | C4 | H40 | 180.0° | 180.0° |
| N3 | C2 | C1 | O6 | 176.2° | 179.7° |
| N3 | C2 | C1 | N5 | 2.6° | 0.1° |
| C2 | N3 | C4 | N5 | 3.1° | 0.0° |
| C2 | N3 | C4 | N21 | 176.3° | 180.0° |
| N3 | C2 | C7 | H1 | 173.6° | 179.3° |
| N3 | C2 | C7 | H2 | 55.3° | 60.7° |
| N3 | C2 | C23 | H29 | 177.2° | 56.0° |
| N3 | C2 | C23 | H30 | 64.8° | 176.0° |
| C1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | C1 | O6 | N5 | 178.5° | 179.6° |
| C2 | C1 | N5 | C4 | 4.7° | 0.0° |
| C2 | C1 | N5 | C24 | 170.1° | 180.0° |
| C1 | C2 | C7 | H1 | 73.4° | 64.4° |
| C1 | C2 | C7 | H2 | 168.4° | 175.7° |
| C1 | C2 | C23 | H29 | 63.1° | 170.9° |
| C1 | C2 | C23 | H30 | 178.8° | 69.1° |
| C1 | C2 | N3 | H40 | 179.7° | 180.0° |
| C19 | C20 | C10 | H24 | 120.5° | 120.0° |
| C19 | C20 | C10 | H25 | 120.5° | 120.0° |
| C20 | C19 | C18 | H22 | 120.3° | 120.0° |
| C20 | C19 | C18 | H23 | 120.3° | 120.0° |
| C19 | C20 | C10 | C9 | 176.9° | 180.0° |
| C19 | C20 | C10 | C16 | 55.0° | 59.9° |
| C20 | C19 | C18 | C17 | 54.2° | 60.0° |
| C19 | C20 | C10 | H6 | 62.9° | 60.0° |
| C20 | C19 | C18 | H20 | 65.9° | 180.0° |
| C20 | C19 | C18 | H21 | 174.4° | 60.0° |
| C20 | C19 | H22 | H23 | 119.0° | 120.0° |
| C19 | C20 | H24 | H25 | 118.7° | 120.0° |
| C10 | C20 | C19 | C18 | 55.4° | 60.0° |
| C20 | C10 | C9 | C16 | 121.9° | 120.0° |
| C20 | C10 | C9 | H6 | 120.2° | 120.0° |
| C20 | C10 | C16 | H6 | 118.0° | 120.0° |
| C20 | C10 | C16 | C17 | 55.7° | 60.0° |
| C20 | C10 | C9 | H4 | 170.0° | 175.0° |
| C20 | C10 | C9 | H5 | 51.6° | 55.0° |
| C20 | C10 | C16 | H16 | 176.0° | 180.0° |
| C20 | C10 | C16 | H17 | 64.7° | 60.0° |
| C10 | C20 | C19 | H22 | 175.7° | 60.0° |
| C10 | C20 | C19 | H23 | 64.9° | 180.0° |
| C10 | C20 | H24 | H25 | 118.6° | 120.0° |
| C19 | C18 | C17 | H20 | 120.1° | 120.1° |
| C19 | C18 | C17 | H21 | 120.1° | 120.0° |
| C19 | C18 | C17 | C16 | 55.3° | 59.9° |
| C19 | C18 | C17 | H18 | 175.6° | 60.0° |
| C19 | C18 | C17 | H19 | 65.1° | 180.0° |
| C19 | C18 | H20 | H21 | 119.6° | 120.0° |
| C18 | C19 | H22 | H23 | 119.0° | 120.0° |
| C18 | C19 | C20 | H24 | 175.8° | 60.0° |
| C18 | C19 | C20 | H25 | 65.1° | 180.0° |
| N3 | C4 | N5 | C1 | 5.0° | 0.0° |
| N3 | C4 | N5 | N21 | 179.5° | 180.0° |
| N3 | C4 | N5 | C24 | 170.0° | 180.0° |
| N3 | C4 | N21 | H26 | 179.3° | 180.0° |
| O6 | C1 | N5 | C4 | 174.0° | 179.7° |
| O6 | C1 | N5 | C24 | 8.6° | 0.3° |
| C1 | N5 | C4 | C24 | 165.0° | 180.0° |
| C1 | N5 | C4 | N21 | 174.5° | 179.9° |
| C1 | N5 | C24 | H31 | 180.0° | 89.9° |
| C1 | N5 | C24 | H32 | 60.0° | 150.0° |
| C1 | N5 | C24 | H33 | 60.0° | 30.0° |
| C9 | C10 | C16 | H6 | 118.0° | 119.9° |
| C9 | C10 | C16 | C17 | 179.7° | 180.0° |
| C10 | C9 | C7 | H1 | 73.8° | 59.9° |
| C10 | C9 | C7 | H2 | 44.4° | 60.0° |
| C10 | C9 | H4 | H5 | 117.5° | 120.0° |
| C9 | C10 | C16 | H16 | 59.9° | 60.0° |
| C9 | C10 | C16 | H17 | 59.4° | 60.0° |
| C9 | C10 | C20 | H24 | 62.6° | 60.0° |
| C9 | C10 | C20 | H25 | 56.5° | 60.0° |
| C10 | C16 | C17 | C18 | 57.1° | 59.9° |
| C10 | C16 | C17 | H16 | 120.3° | 120.0° |
| C10 | C16 | C17 | H17 | 120.3° | 120.0° |
| C16 | C10 | C9 | H4 | 48.1° | 54.9° |
| C16 | C10 | C9 | H5 | 70.3° | 65.1° |
| C10 | C16 | H16 | H17 | 118.9° | 120.0° |
| C10 | C16 | C17 | H18 | 177.5° | 60.0° |
| C10 | C16 | C17 | H19 | 63.2° | 180.0° |
| C16 | C10 | C20 | H24 | 175.5° | 60.0° |
| C16 | C10 | C20 | H25 | 65.4° | 180.0° |
| N5 | C4 | N21 | H26 | 0.0° | 0.0° |
| C4 | N5 | C24 | H31 | 16.5° | 90.1° |
| C4 | N5 | C24 | H32 | 136.5° | 30.0° |
| C4 | N5 | C24 | H33 | 103.5° | 150.0° |
| N5 | C4 | N3 | H40 | 176.9° | 180.0° |
| N21 | C4 | N5 | C24 | 9.5° | 0.0° |
| N21 | C4 | N3 | H40 | 3.7° | 0.1° |
| N5 | C24 | H31 | H32 | 120.0° | 120.1° |
| N5 | C24 | H31 | H33 | 120.0° | 120.0° |
| N5 | C24 | H32 | H33 | 120.0° | 120.0° |
| C18 | C17 | C16 | H18 | 120.3° | 119.9° |
| C18 | C17 | C16 | H19 | 120.3° | 120.1° |
| C18 | C17 | C16 | H16 | 177.5° | 179.9° |
| C18 | C17 | C16 | H17 | 63.2° | 60.1° |
| C18 | C17 | H18 | H19 | 119.0° | 120.1° |
| C17 | C18 | H20 | H21 | 119.6° | 119.9° |
| C17 | C18 | C19 | H22 | 174.6° | 60.0° |
| C17 | C18 | C19 | H23 | 66.1° | 180.0° |
| C17 | C16 | C10 | H6 | 62.3° | 60.1° |
| C17 | C16 | H16 | H17 | 119.0° | 120.0° |
| C16 | C17 | H18 | H19 | 119.0° | 120.0° |
| C16 | C17 | C18 | H20 | 64.9° | 180.0° |
| C16 | C17 | C18 | H21 | 175.4° | 60.1° |
| H1 | C7 | C9 | H4 | 165.4° | 179.9° |
| H1 | C7 | C9 | H5 | 46.9° | 60.0° |
| H2 | C7 | C9 | H4 | 76.3° | 60.0° |
| H2 | C7 | C9 | H5 | 165.2° | 180.0° |
| H3 | C8 | C11 | H7 | 55.7° | 180.0° |
| H3 | C8 | C11 | H8 | 175.1° | 59.9° |
| H3 | C8 | C15 | H14 | 178.9° | 60.0° |
| H3 | C8 | C15 | H15 | 61.2° | 180.0° |
| H3 | C8 | C23 | H29 | 93.4° | 170.2° |
| H3 | C8 | C23 | H30 | 148.6° | 69.8° |
| H4 | C9 | C10 | H6 | 69.8° | 65.0° |
| H5 | C9 | C10 | H6 | 171.7° | 175.0° |
| H6 | C10 | C16 | H16 | 58.0° | 60.0° |
| H6 | C10 | C16 | H17 | 177.3° | 180.0° |
| H6 | C10 | C20 | H24 | 57.5° | 180.0° |
| H6 | C10 | C20 | H25 | 176.6° | 60.0° |
| H7 | C11 | C12 | H9 | 49.2° | 180.0° |
| H8 | C11 | C12 | H9 | 168.6° | 60.0° |
| H9 | C12 | C13 | H10 | 175.4° | 180.0° |
| H9 | C12 | C13 | H11 | 55.5° | 60.0° |
| H9 | C12 | N22 | H28 | 141.2° | 145.0° |
| H10 | C13 | C14 | H12 | 63.0° | 60.0° |
| H10 | C13 | C14 | H13 | 176.6° | 180.0° |
| H11 | C13 | C14 | H12 | 56.9° | 60.0° |
| H11 | C13 | C14 | H13 | 63.5° | 60.0° |
| H12 | C14 | C15 | H14 | 62.6° | 60.0° |
| H12 | C14 | C15 | H15 | 57.4° | 60.0° |
| H13 | C14 | C15 | H14 | 177.1° | 60.0° |
| H13 | C14 | C15 | H15 | 63.0° | 180.0° |
| H16 | C16 | C17 | H18 | 62.2° | 60.0° |
| H16 | C16 | C17 | H19 | 57.1° | 60.0° |
| H17 | C16 | C17 | H18 | 57.1° | 180.0° |
| H17 | C16 | C17 | H19 | 176.5° | 60.0° |
| H18 | C17 | C18 | H20 | 55.5° | 60.1° |
| H18 | C17 | C18 | H21 | 64.3° | NaN° |
| H19 | C17 | C18 | H20 | 174.8° | 60.0° |
| H19 | C17 | C18 | H21 | 55.1° | 60.0° |
| H20 | C18 | C19 | H22 | 54.4° | 60.0° |
| H20 | C18 | C19 | H23 | 173.8° | 60.0° |
| H21 | C18 | C19 | H22 | 65.3° | 180.0° |
| H21 | C18 | C19 | H23 | 54.1° | 60.0° |
| H22 | C19 | C20 | H24 | 63.8° | 180.0° |
| H22 | C19 | C20 | H25 | 55.3° | 60.0° |
| H23 | C19 | C20 | H24 | 55.5° | 60.1° |
| H23 | C19 | C20 | H25 | 174.6° | 60.0° |
| H31 | C24 | H32 | H33 | 120.0° | 119.9° |
| H34 | C26 | C27 | H35 | 0.1° | 0.1° |
| H36 | C31 | C32 | H37 | 0.4° | 0.0° |
| H37 | C32 | C33 | H38 | 0.3° | 0.1° |
| H38 | C33 | C34 | H39 | 0.2° | 0.0° |
