WBW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F41 | C38 | sing | 1.40Å | 1.26Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.50Å | |
| C46 | C9 | sing | 1.53Å | 1.51Å | |
| C38 | F40 | sing | 1.40Å | 1.27Å | |
| C38 | F42 | sing | 1.40Å | 1.28Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | N34 | sing | 1.46Å | 1.43Å | |
| O1 | C2 | doub | 1.22Å | 1.17Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| N34 | C2 | sing | 1.35Å | 1.30Å | |
| C2 | N3 | sing | 1.35Å | 1.28Å | |
| C8 | N7 | sing | 1.47Å | 1.43Å | |
| C8 | C31 | sing | 1.50Å | 1.48Å | |
| O33 | C6 | doub | 1.21Å | 1.18Å | |
| N7 | C6 | sing | 1.34Å | 1.33Å | |
| N7 | C17 | sing | 1.46Å | 1.43Å | |
| C6 | C5 | sing | 1.50Å | 1.50Å | |
| N3 | C17 | sing | 1.46Å | 1.44Å | |
| N3 | C4 | sing | 1.47Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.37Å | Aromatic |
| C31 | O32 | doub | 1.21Å | 1.20Å | |
| C31 | N19 | sing | 1.33Å | 1.33Å | |
| C23 | C22 | doub | 1.41Å | 1.37Å | Aromatic |
| C18 | N19 | sing | 1.46Å | 1.47Å | |
| C27 | C22 | sing | 1.47Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.46Å | |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C21 | C30 | doub | 1.39Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.47Å | 1.38Å | Aromatic |
| C29 | C71 | sing | 1.41Å | 1.38Å | Aromatic |
| C30 | C74 | sing | 1.41Å | 1.38Å | Aromatic |
| C71 | C72 | doub | 1.36Å | 1.36Å | Aromatic |
| C74 | C73 | doub | 1.36Å | 1.38Å | Aromatic |
| C72 | C73 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C46 | H10 | sing | 1.09Å | 1.10Å | |
| C46 | H11 | sing | 1.09Å | 1.10Å | |
| C46 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| N34 | H15 | sing | 0.97Å | 1.00Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C71 | H32 | sing | 1.08Å | 1.08Å | |
| C72 | H33 | sing | 1.08Å | 1.08Å | |
| C73 | H34 | sing | 1.08Å | 1.08Å | |
| C74 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F41 | C38 | C37 | 107.1° | 109.5° |
| F41 | C38 | F40 | 106.3° | 109.5° |
| F41 | C38 | F42 | 110.1° | 109.4° |
| C11 | C10 | C9 | 112.8° | 109.5° |
| C11 | C10 | H1 | 108.7° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.4° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.5° |
| C38 | C37 | C36 | 111.2° | 109.5° |
| C37 | C38 | F40 | 116.2° | 109.5° |
| C37 | C38 | F42 | 110.9° | 109.5° |
| C38 | C37 | H20 | 109.0° | 109.4° |
| C38 | C37 | H21 | 109.0° | 109.5° |
| C37 | C36 | C35 | 110.6° | 109.5° |
| C37 | C36 | H18 | 109.2° | 109.5° |
| C37 | C36 | H19 | 109.2° | 109.5° |
| C36 | C37 | H20 | 109.0° | 109.5° |
| C36 | C37 | H21 | 109.1° | 109.5° |
| C46 | C9 | C10 | 110.7° | 109.5° |
| C46 | C9 | C8 | 113.8° | 109.4° |
| C46 | C9 | H5 | 106.1° | 109.4° |
| C9 | C46 | H10 | 109.5° | 109.5° |
| C9 | C46 | H11 | 109.5° | 109.5° |
| C9 | C46 | H12 | 109.5° | 109.5° |
| F40 | C38 | F42 | 106.0° | 109.5° |
| C36 | C35 | N34 | 107.0° | 109.5° |
| C36 | C35 | H16 | 110.1° | 109.5° |
| C36 | C35 | H17 | 110.1° | 109.5° |
| C35 | C36 | H18 | 109.2° | 109.5° |
| C35 | C36 | H19 | 109.2° | 109.4° |
| C35 | N34 | C2 | 123.4° | 120.0° |
| C35 | N34 | H15 | 118.3° | 120.0° |
| N34 | C35 | H16 | 110.1° | 109.5° |
| N34 | C35 | H17 | 110.1° | 109.5° |
| O1 | C2 | N34 | 120.5° | 120.0° |
| O1 | C2 | N3 | 119.6° | 120.0° |
| C10 | C9 | C8 | 113.5° | 109.5° |
| C9 | C10 | H1 | 108.6° | 109.5° |
| C9 | C10 | H2 | 108.7° | 109.5° |
| C10 | C9 | H5 | 106.2° | 109.5° |
| C9 | C8 | N7 | 113.4° | 109.6° |
| C9 | C8 | C31 | 110.2° | 109.6° |
| C8 | C9 | H5 | 105.9° | 109.5° |
| C9 | C8 | H6 | 107.1° | 109.6° |
| N34 | C2 | N3 | 119.9° | 120.0° |
| C2 | N34 | H15 | 118.3° | 120.0° |
| C2 | N3 | C17 | 121.8° | 120.1° |
| C2 | N3 | C4 | 125.0° | 120.0° |
| N7 | C8 | C31 | 110.2° | 108.8° |
| C8 | N7 | C6 | 118.6° | 119.3° |
| C8 | N7 | C17 | 117.3° | 117.0° |
| N7 | C8 | H6 | 108.2° | 109.6° |
| C8 | C31 | O32 | 116.8° | 118.5° |
| C8 | C31 | N19 | 119.0° | 123.1° |
| C31 | C8 | H6 | 107.5° | 109.6° |
| O33 | C6 | N7 | 120.9° | 118.6° |
| O33 | C6 | C5 | 118.7° | 118.5° |
| C6 | N7 | C17 | 123.8° | 123.7° |
| N7 | C6 | C5 | 120.3° | 122.9° |
| N7 | C17 | N3 | 106.6° | 111.4° |
| N7 | C17 | C18 | 101.4° | 108.4° |
| N7 | C17 | H24 | 112.5° | 109.3° |
| C6 | C5 | C4 | 109.8° | 109.0° |
| C6 | C5 | H13 | 109.4° | 109.5° |
| C6 | C5 | H14 | 109.4° | 109.6° |
| C17 | N3 | C4 | 112.6° | 119.9° |
| N3 | C17 | C18 | 112.4° | 109.5° |
| N3 | C17 | H24 | 112.2° | 109.3° |
| N3 | C4 | C5 | 100.4° | 107.8° |
| N3 | C4 | H3 | 111.7° | 109.8° |
| N3 | C4 | H4 | 111.7° | 109.8° |
| C17 | C18 | N19 | 110.4° | 110.6° |
| C17 | C18 | H22 | 109.3° | 109.3° |
| C17 | C18 | H23 | 109.2° | 109.2° |
| C18 | C17 | H24 | 111.2° | 108.8° |
| C24 | C25 | C26 | 119.8° | 121.7° |
| C25 | C24 | C23 | 120.6° | 121.7° |
| C25 | C24 | H28 | 119.7° | 119.1° |
| C24 | C25 | H29 | 120.1° | 119.2° |
| C25 | C26 | C27 | 119.5° | 119.6° |
| C26 | C25 | H29 | 120.1° | 119.2° |
| C25 | C26 | H30 | 120.3° | 120.2° |
| C5 | C4 | H3 | 111.7° | 109.8° |
| C5 | C4 | H4 | 111.7° | 109.8° |
| C4 | C5 | H13 | 109.4° | 109.5° |
| C4 | C5 | H14 | 109.4° | 109.5° |
| C24 | C23 | C22 | 119.6° | 119.6° |
| C24 | C23 | H27 | 120.2° | 120.3° |
| C23 | C24 | H28 | 119.7° | 119.2° |
| C26 | C27 | C22 | 120.9° | 118.7° |
| C26 | C27 | C28 | 118.4° | 121.1° |
| C27 | C26 | H30 | 120.3° | 120.2° |
| O32 | C31 | N19 | 124.2° | 118.5° |
| C31 | N19 | C18 | 124.2° | 124.5° |
| C31 | N19 | C20 | 120.5° | 117.7° |
| C23 | C22 | C27 | 119.6° | 118.7° |
| C23 | C22 | C21 | 118.7° | 121.1° |
| C22 | C23 | H27 | 120.2° | 120.2° |
| C18 | N19 | C20 | 115.3° | 117.8° |
| N19 | C18 | H22 | 109.2° | 109.2° |
| N19 | C18 | H23 | 109.3° | 109.2° |
| C22 | C27 | C28 | 120.7° | 120.2° |
| C27 | C22 | C21 | 121.7° | 120.2° |
| C27 | C28 | C29 | 118.0° | 119.6° |
| C27 | C28 | H31 | 121.0° | 120.2° |
| N19 | C20 | C21 | 112.0° | 109.5° |
| N19 | C20 | H25 | 108.8° | 109.4° |
| N19 | C20 | H26 | 108.8° | 109.5° |
| C22 | C21 | C20 | 120.1° | 120.2° |
| C22 | C21 | C30 | 117.5° | 119.6° |
| C28 | C29 | C30 | 121.4° | 120.2° |
| C28 | C29 | C71 | 118.1° | 121.1° |
| C29 | C28 | H31 | 121.0° | 120.2° |
| C20 | C21 | C30 | 122.3° | 120.2° |
| C21 | C20 | H25 | 108.9° | 109.5° |
| C21 | C20 | H26 | 108.9° | 109.5° |
| C21 | C30 | C29 | 120.6° | 120.2° |
| C21 | C30 | C74 | 120.5° | 121.0° |
| C30 | C29 | C71 | 120.4° | 118.7° |
| C29 | C30 | C74 | 118.9° | 118.7° |
| C29 | C71 | C72 | 120.5° | 119.6° |
| C29 | C71 | H32 | 119.8° | 120.2° |
| C30 | C74 | C73 | 120.1° | 119.6° |
| C30 | C74 | H35 | 119.9° | 120.2° |
| C71 | C72 | C73 | 119.9° | 121.7° |
| C72 | C71 | H32 | 119.8° | 120.2° |
| C71 | C72 | H33 | 120.0° | 119.2° |
| C74 | C73 | C72 | 120.1° | 121.7° |
| C74 | C73 | H34 | 119.9° | 119.2° |
| C73 | C74 | H35 | 120.0° | 120.2° |
| C73 | C72 | H33 | 120.1° | 119.1° |
| C72 | C73 | H34 | 120.0° | 119.1° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.8° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.4° | 109.5° |
| H10 | C46 | H11 | 109.5° | 109.4° |
| H10 | C46 | H12 | 109.5° | 109.4° |
| H11 | C46 | H12 | 109.4° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.6° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H18 | C36 | H19 | 109.5° | 109.4° |
| H20 | C37 | H21 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.2° |
| H25 | C20 | H26 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F41 | C38 | C37 | F40 | 118.6° | 120.0° |
| F41 | C38 | C37 | F42 | 120.2° | 119.9° |
| F41 | C38 | C37 | C36 | 170.5° | 60.0° |
| F41 | C38 | F40 | F42 | 117.2° | 120.0° |
| F41 | C38 | C37 | H20 | 69.2° | 179.9° |
| F41 | C38 | C37 | H21 | 50.2° | 60.0° |
| C11 | C10 | C9 | C46 | 39.9° | 65.1° |
| C11 | C10 | C9 | H1 | 120.5° | 120.0° |
| C11 | C10 | C9 | H2 | 120.5° | 119.9° |
| C11 | C10 | C9 | C8 | 169.3° | 175.0° |
| C11 | C10 | H1 | H2 | 118.5° | 119.9° |
| C11 | C10 | C9 | H5 | 74.8° | 54.9° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H9 | 120.0° | 120.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C38 | C37 | C36 | H20 | 120.2° | 120.0° |
| C38 | C37 | C36 | H21 | 120.3° | 120.0° |
| C37 | C38 | F40 | F42 | 123.8° | 120.0° |
| C38 | C37 | C36 | C35 | 166.7° | 180.0° |
| C38 | C37 | C36 | H18 | 73.1° | 60.0° |
| C38 | C37 | C36 | H19 | 46.6° | 60.0° |
| C38 | C37 | H20 | H21 | 119.2° | 119.9° |
| C36 | C37 | C38 | F40 | 51.9° | 60.0° |
| C36 | C37 | C38 | F42 | 69.3° | 179.9° |
| C37 | C36 | C35 | H18 | 120.2° | 120.1° |
| C37 | C36 | C35 | H19 | 120.2° | 120.0° |
| C37 | C36 | C35 | N34 | 166.0° | 180.0° |
| C37 | C36 | C35 | H16 | 46.4° | 60.0° |
| C37 | C36 | C35 | H17 | 74.4° | 60.0° |
| C37 | C36 | H18 | H19 | 119.5° | 120.0° |
| C36 | C37 | H20 | H21 | 119.2° | 120.0° |
| C46 | C9 | C10 | C8 | 129.4° | 119.9° |
| C46 | C9 | C10 | H5 | 114.7° | 120.0° |
| C46 | C9 | C8 | H5 | 116.1° | 120.0° |
| C46 | C9 | C8 | N7 | 33.0° | 175.0° |
| C46 | C9 | C8 | C31 | 157.0° | 65.7° |
| C46 | C9 | C10 | H1 | 160.4° | 55.0° |
| C46 | C9 | C10 | H2 | 80.7° | 175.0° |
| C46 | C9 | C8 | H6 | 86.4° | 54.7° |
| C9 | C46 | H10 | H11 | 120.0° | 120.0° |
| C9 | C46 | H10 | H12 | 120.0° | 120.0° |
| C9 | C46 | H11 | H12 | 120.0° | 120.1° |
| F40 | C38 | C37 | H20 | 172.2° | 60.1° |
| F40 | C38 | C37 | H21 | 68.4° | 180.0° |
| F42 | C38 | C37 | H20 | 51.0° | 60.0° |
| F42 | C38 | C37 | H21 | 170.4° | 59.9° |
| C36 | C35 | N34 | H16 | 119.6° | 120.0° |
| C36 | C35 | N34 | H17 | 119.6° | 120.0° |
| C36 | C35 | N34 | C2 | 66.6° | 180.0° |
| C36 | C35 | N34 | H15 | 113.4° | 0.0° |
| C36 | C35 | H16 | H17 | 121.1° | 120.0° |
| C35 | C36 | H18 | H19 | 119.4° | 119.9° |
| C35 | C36 | C37 | H20 | 46.5° | 60.0° |
| C35 | C36 | C37 | H21 | 73.0° | 60.0° |
| C35 | N34 | C2 | O1 | 0.3° | 4.9° |
| C35 | N34 | C2 | H15 | 180.0° | 180.0° |
| C35 | N34 | C2 | N3 | 177.8° | 175.1° |
| N34 | C35 | H16 | H17 | 121.1° | 120.0° |
| N34 | C35 | C36 | H18 | 73.8° | 60.0° |
| N34 | C35 | C36 | H19 | 45.9° | 60.0° |
| O1 | C2 | N34 | N3 | 177.5° | 180.0° |
| O1 | C2 | N3 | C17 | 10.2° | 175.0° |
| O1 | C2 | N3 | C4 | 179.7° | 5.0° |
| O1 | C2 | N34 | H15 | 179.7° | 175.1° |
| C10 | C9 | C8 | H5 | 116.0° | 120.1° |
| C10 | C9 | C8 | N7 | 94.8° | 55.0° |
| C10 | C9 | C8 | C31 | 29.2° | 174.3° |
| C9 | C10 | H1 | H2 | 118.5° | 120.0° |
| C10 | C9 | C8 | H6 | 145.8° | 65.3° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | H8 | 60.0° | 60.0° |
| C9 | C10 | C11 | H9 | 60.0° | 60.0° |
| C10 | C9 | C46 | H10 | 180.0° | 54.9° |
| C10 | C9 | C46 | H11 | 60.0° | 174.9° |
| C10 | C9 | C46 | H12 | 60.0° | 65.0° |
| C9 | C8 | N7 | C31 | 124.0° | 119.8° |
| C9 | C8 | N7 | H6 | 118.7° | 120.3° |
| C9 | C8 | C31 | H6 | 116.4° | 120.3° |
| C9 | C8 | N7 | C6 | 110.8° | 103.4° |
| C9 | C8 | N7 | C17 | 76.1° | 76.7° |
| C9 | C8 | C31 | O32 | 59.9° | 73.1° |
| C9 | C8 | C31 | N19 | 118.6° | 106.9° |
| C8 | C9 | C10 | H1 | 70.2° | 65.0° |
| C8 | C9 | C10 | H2 | 48.7° | 55.1° |
| C8 | C9 | C46 | H10 | 50.8° | 174.9° |
| C8 | C9 | C46 | H11 | 69.2° | 65.1° |
| C8 | C9 | C46 | H12 | 170.8° | 54.9° |
| N34 | C2 | N3 | C17 | 167.4° | 5.0° |
| N34 | C2 | N3 | C4 | 2.7° | 175.0° |
| C2 | N34 | C35 | H16 | 173.8° | 60.0° |
| C2 | N34 | C35 | H17 | 53.0° | 60.0° |
| C2 | N3 | C17 | N7 | 112.9° | 148.7° |
| C2 | N3 | C17 | C4 | 171.2° | 180.0° |
| C2 | N3 | C17 | C18 | 136.9° | 91.4° |
| C2 | N3 | C4 | C5 | 92.2° | 123.2° |
| C2 | N3 | C4 | H3 | 149.3° | 117.2° |
| C2 | N3 | C4 | H4 | 26.3° | 3.6° |
| N3 | C2 | N34 | H15 | 2.2° | 4.9° |
| C2 | N3 | C17 | H24 | 10.7° | 27.7° |
| N7 | C8 | C31 | H6 | 117.7° | 119.9° |
| C8 | N7 | C6 | O33 | 3.8° | 3.2° |
| C8 | N7 | C6 | C17 | 172.6° | 179.8° |
| C8 | N7 | C6 | C5 | 173.6° | 176.7° |
| C8 | N7 | C17 | N3 | 170.9° | 177.6° |
| C8 | N7 | C17 | C18 | 71.3° | 61.9° |
| N7 | C8 | C31 | O32 | 174.2° | 167.1° |
| N7 | C8 | C31 | N19 | 7.3° | 12.9° |
| N7 | C8 | C9 | H5 | 149.1° | 65.1° |
| C8 | N7 | C17 | H24 | 47.5° | 56.6° |
| C31 | C8 | N7 | C6 | 125.2° | 136.8° |
| C31 | C8 | N7 | C17 | 48.0° | 43.1° |
| C8 | C31 | O32 | N19 | 178.4° | 180.0° |
| C8 | C31 | N19 | C18 | 2.1° | 4.3° |
| C8 | C31 | N19 | C20 | 179.4° | 175.7° |
| C31 | C8 | C9 | H5 | 86.9° | 54.3° |
| O33 | C6 | N7 | C5 | 177.3° | 179.9° |
| O33 | C6 | N7 | C17 | 176.4° | 176.6° |
| O33 | C6 | C5 | C4 | 155.6° | 151.5° |
| O33 | C6 | C5 | H13 | 84.3° | 31.7° |
| O33 | C6 | C5 | H14 | 35.6° | 88.6° |
| C6 | N7 | C17 | N3 | 16.4° | 2.6° |
| C6 | N7 | C17 | C18 | 101.4° | 118.0° |
| N7 | C6 | C5 | C4 | 21.8° | 28.6° |
| C6 | N7 | C8 | H6 | 7.9° | 16.9° |
| N7 | C6 | C5 | H13 | 98.3° | 148.4° |
| N7 | C6 | C5 | H14 | 141.8° | 91.3° |
| C6 | N7 | C17 | H24 | 139.8° | 123.6° |
| C17 | N7 | C6 | C5 | 0.9° | 3.5° |
| N7 | C17 | N3 | C18 | 110.2° | 119.9° |
| N7 | C17 | N3 | H24 | 123.6° | 121.0° |
| N7 | C17 | N3 | C4 | 58.3° | 31.3° |
| N7 | C17 | C18 | H24 | 119.8° | 118.8° |
| N7 | C17 | C18 | N19 | 53.8° | 46.9° |
| C17 | N7 | C8 | H6 | 165.2° | 163.0° |
| N7 | C17 | C18 | H22 | 173.9° | 73.4° |
| N7 | C17 | C18 | H23 | 66.3° | 167.2° |
| C6 | C5 | C4 | N3 | 54.8° | 50.8° |
| C6 | C5 | C4 | H13 | 120.0° | 119.8° |
| C6 | C5 | C4 | H14 | 120.0° | 119.9° |
| C6 | C5 | C4 | H3 | 63.7° | 68.8° |
| C6 | C5 | C4 | H4 | 173.3° | 170.4° |
| C6 | C5 | H13 | H14 | 119.8° | 120.3° |
| N3 | C17 | C18 | H24 | 126.8° | 119.4° |
| C17 | N3 | C4 | C5 | 78.7° | 56.7° |
| N3 | C17 | C18 | N19 | 167.3° | 168.7° |
| C17 | N3 | C4 | H3 | 39.9° | 62.9° |
| C17 | N3 | C4 | H4 | 162.9° | 176.3° |
| N3 | C17 | C18 | H22 | 72.6° | 48.4° |
| N3 | C17 | C18 | H23 | 47.1° | 71.0° |
| C4 | N3 | C17 | C18 | 51.9° | 88.6° |
| N3 | C4 | C5 | H3 | 118.5° | 119.6° |
| N3 | C4 | C5 | H4 | 118.5° | 119.6° |
| N3 | C4 | H3 | H4 | 124.2° | 120.8° |
| N3 | C4 | C5 | H13 | 65.2° | 170.6° |
| N3 | C4 | C5 | H14 | 174.8° | 69.1° |
| C4 | N3 | C17 | H24 | 178.1° | 152.3° |
| C17 | C18 | N19 | C31 | 23.3° | 21.6° |
| C17 | C18 | N19 | H22 | 120.1° | 120.4° |
| C17 | C18 | N19 | H23 | 120.1° | 120.3° |
| C17 | C18 | N19 | C20 | 155.3° | 158.4° |
| C17 | C18 | H22 | H23 | 119.6° | 119.4° |
| C24 | C25 | C26 | H29 | 180.0° | 180.0° |
| C25 | C24 | C23 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.1° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H27 | 179.8° | 179.9° |
| C24 | C25 | C26 | H30 | 179.3° | 180.0° |
| C26 | C25 | C24 | C23 | 0.5° | 0.0° |
| C25 | C26 | C27 | H30 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.7° | 0.1° |
| C25 | C26 | C27 | C28 | 180.0° | 180.0° |
| C26 | C25 | C24 | H28 | 179.5° | 180.0° |
| C5 | C4 | H3 | H4 | 124.3° | 120.8° |
| C4 | C5 | H13 | H14 | 119.9° | 120.2° |
| C24 | C23 | C22 | H27 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.3° | 0.0° |
| C24 | C23 | C22 | C21 | 179.7° | 179.9° |
| C23 | C24 | C25 | H29 | 179.6° | 180.0° |
| C26 | C27 | C22 | C23 | 0.5° | 0.1° |
| C26 | C27 | C22 | C28 | 179.3° | 179.9° |
| C26 | C27 | C22 | C21 | 179.4° | 179.9° |
| C26 | C27 | C28 | C29 | 179.3° | 180.0° |
| C27 | C26 | C25 | H29 | 179.3° | 179.9° |
| C26 | C27 | C28 | H31 | 0.7° | 0.0° |
| O32 | C31 | N19 | C18 | 176.3° | 175.7° |
| O32 | C31 | N19 | C20 | 2.2° | 4.3° |
| O32 | C31 | C8 | H6 | 56.5° | 47.2° |
| C31 | N19 | C18 | C20 | 178.5° | 180.0° |
| C31 | N19 | C20 | C21 | 114.6° | 96.8° |
| N19 | C31 | C8 | H6 | 125.0° | 132.8° |
| C31 | N19 | C18 | H22 | 143.4° | 98.7° |
| C31 | N19 | C18 | H23 | 96.8° | 141.9° |
| C31 | N19 | C20 | H25 | 125.0° | 143.2° |
| C31 | N19 | C20 | H26 | 5.8° | 23.3° |
| C23 | C22 | C27 | C21 | 179.9° | 179.9° |
| C23 | C22 | C27 | C28 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.1° |
| C23 | C22 | C21 | C30 | 178.9° | 179.8° |
| C22 | C23 | C24 | H28 | 179.7° | 180.0° |
| C18 | N19 | C20 | C21 | 64.0° | 83.2° |
| N19 | C18 | H22 | H23 | 119.6° | 119.4° |
| N19 | C18 | C17 | H24 | 66.0° | 71.9° |
| C18 | N19 | C20 | H25 | 56.4° | 36.8° |
| C18 | N19 | C20 | H26 | 175.6° | 156.7° |
| C22 | C27 | C28 | C29 | 1.5° | 0.0° |
| C27 | C22 | C21 | C20 | 179.9° | 180.0° |
| C27 | C22 | C21 | C30 | 1.2° | 0.3° |
| C27 | C22 | C23 | H27 | 179.8° | 180.0° |
| C22 | C27 | C26 | H30 | 179.3° | 179.9° |
| C22 | C27 | C28 | H31 | 178.6° | 179.9° |
| C28 | C27 | C22 | C21 | 0.1° | 0.1° |
| C27 | C28 | C29 | H31 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 1.5° | 0.1° |
| C27 | C28 | C29 | C71 | 179.3° | 180.0° |
| C28 | C27 | C26 | H30 | 0.0° | 0.0° |
| N19 | C20 | C21 | C22 | 85.1° | 86.4° |
| N19 | C20 | C21 | H25 | 120.4° | 120.0° |
| N19 | C20 | C21 | H26 | 120.4° | 120.0° |
| N19 | C20 | C21 | C30 | 96.0° | 94.0° |
| C20 | N19 | C18 | H22 | 35.1° | 81.3° |
| C20 | N19 | C18 | H23 | 84.6° | 38.1° |
| N19 | C20 | H25 | H26 | 118.8° | 120.0° |
| C22 | C21 | C20 | C30 | 178.9° | 179.7° |
| C22 | C21 | C30 | C29 | 1.2° | 0.4° |
| C22 | C21 | C30 | C74 | 179.5° | 179.9° |
| C22 | C21 | C20 | H25 | 154.5° | 33.6° |
| C22 | C21 | C20 | H26 | 35.2° | 153.6° |
| C21 | C22 | C23 | H27 | 0.3° | 0.0° |
| C28 | C29 | C30 | C21 | 0.2° | 0.3° |
| C28 | C29 | C30 | C71 | 179.2° | 179.9° |
| C28 | C29 | C30 | C74 | 179.2° | 180.0° |
| C28 | C29 | C71 | C72 | 178.8° | 179.9° |
| C28 | C29 | C71 | H32 | 1.3° | 0.1° |
| C20 | C21 | C30 | C29 | 179.9° | 179.9° |
| C20 | C21 | C30 | C74 | 0.5° | 0.3° |
| C21 | C20 | H25 | H26 | 118.9° | 120.0° |
| C21 | C30 | C29 | C74 | 179.4° | 179.6° |
| C21 | C30 | C29 | C71 | 179.3° | 179.8° |
| C21 | C30 | C74 | C73 | 179.8° | 179.8° |
| C30 | C21 | C20 | H25 | 24.4° | 146.0° |
| C30 | C21 | C20 | H26 | 143.7° | 26.0° |
| C21 | C30 | C74 | H35 | 0.2° | 0.2° |
| C30 | C29 | C71 | C72 | 0.4° | 0.1° |
| C29 | C30 | C74 | C73 | 0.4° | 0.1° |
| C30 | C29 | C28 | H31 | 178.5° | 180.0° |
| C30 | C29 | C71 | H32 | 179.5° | 179.9° |
| C29 | C30 | C74 | H35 | 179.6° | 179.8° |
| C71 | C29 | C30 | C74 | 0.1° | 0.1° |
| C29 | C71 | C72 | H32 | 180.0° | 180.0° |
| C29 | C71 | C72 | C73 | 1.4° | 0.0° |
| C71 | C29 | C28 | H31 | 0.6° | 0.1° |
| C29 | C71 | C72 | H33 | 178.6° | 180.0° |
| C30 | C74 | C73 | H35 | 180.0° | 180.0° |
| C30 | C74 | C73 | C72 | 1.3° | 0.0° |
| C30 | C74 | C73 | H34 | 178.7° | 180.0° |
| C71 | C72 | C73 | C74 | 1.8° | 0.0° |
| C71 | C72 | C73 | H33 | 180.0° | 180.0° |
| C71 | C72 | C73 | H34 | 178.2° | 179.9° |
| C74 | C73 | C72 | H34 | 180.0° | 179.9° |
| C74 | C73 | C72 | H33 | 178.2° | 180.0° |
| C73 | C72 | C71 | H32 | 178.6° | 180.0° |
| C72 | C73 | C74 | H35 | 178.6° | 179.9° |
| H1 | C10 | C9 | H5 | 45.7° | 175.0° |
| H1 | C10 | C11 | H7 | 59.5° | 59.9° |
| H1 | C10 | C11 | H8 | 60.5° | 179.9° |
| H1 | C10 | C11 | H9 | 179.5° | 60.0° |
| H2 | C10 | C9 | H5 | 164.6° | 65.0° |
| H2 | C10 | C11 | H7 | 59.5° | 60.0° |
| H2 | C10 | C11 | H8 | 179.5° | 60.0° |
| H2 | C10 | C11 | H9 | 60.6° | 180.0° |
| H3 | C4 | C5 | H13 | 176.3° | 51.0° |
| H3 | C4 | C5 | H14 | 56.4° | 171.3° |
| H4 | C4 | C5 | H13 | 53.3° | 69.8° |
| H4 | C4 | C5 | H14 | 66.7° | 50.5° |
| H5 | C9 | C8 | H6 | 29.8° | 174.6° |
| H5 | C9 | C46 | H10 | 65.3° | 65.1° |
| H5 | C9 | C46 | H11 | 174.7° | 54.9° |
| H5 | C9 | C46 | H12 | 54.8° | 174.9° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H10 | C46 | H11 | H12 | 120.0° | 119.9° |
| H15 | N34 | C35 | H16 | 6.2° | 120.0° |
| H15 | N34 | C35 | H17 | 127.0° | 120.0° |
| H16 | C35 | C36 | H18 | 166.6° | 180.0° |
| H16 | C35 | C36 | H19 | 73.7° | 60.0° |
| H17 | C35 | C36 | H18 | 45.8° | 60.0° |
| H17 | C35 | C36 | H19 | 165.5° | 180.0° |
| H18 | C36 | C37 | H20 | 166.7° | 180.0° |
| H18 | C36 | C37 | H21 | 47.2° | 60.0° |
| H19 | C36 | C37 | H20 | 73.7° | 60.0° |
| H19 | C36 | C37 | H21 | 166.9° | 180.0° |
| H22 | C18 | C17 | H24 | 54.1° | 167.8° |
| H23 | C18 | C17 | H24 | 173.9° | 48.4° |
| H27 | C23 | C24 | H28 | 0.2° | 0.1° |
| H28 | C24 | C25 | H29 | 0.5° | 0.0° |
| H29 | C25 | C26 | H30 | 0.7° | 0.0° |
| H32 | C71 | C72 | H33 | 1.4° | 0.0° |
| H33 | C72 | C73 | H34 | 1.8° | 0.1° |
| H34 | C73 | C74 | H35 | 1.4° | 0.0° |
