XV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| F2 | C6 | sing | 1.40Å | 1.33Å | |
| N8 | C3 | sing | 1.39Å | 1.35Å | |
| C3 | N | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | F | sing | 1.40Å | 1.33Å | |
| C6 | F1 | sing | 1.40Å | 1.34Å | |
| N | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| CL | C8 | sing | 1.74Å | 1.74Å | |
| C4 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | F3 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | C14 | sing | 1.42Å | 1.45Å | Aromatic |
| C11 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C18 | N3 | sing | 1.47Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N1 | C13 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | N3 | sing | 1.38Å | 1.40Å | |
| C14 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C17 | N4 | sing | 1.47Å | 1.46Å | |
| C13 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | O1 | sing | 1.35Å | 1.33Å | |
| O | C20 | doub | 1.22Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| N4 | C20 | sing | 1.35Å | 1.35Å | |
| N4 | C16 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.47Å | 1.47Å | |
| O1 | C32 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | doub | 1.35Å | 1.32Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.47Å | 1.46Å | |
| C37 | N7 | sing | 1.48Å | 1.47Å | |
| C37 | C38 | sing | 1.56Å | 1.51Å | |
| N7 | C33 | sing | 1.48Å | 1.50Å | |
| N7 | C36 | sing | 1.48Å | 1.47Å | |
| C38 | C40 | sing | 1.53Å | 1.50Å | |
| C38 | C39 | doub | 1.31Å | 1.32Å | |
| C40 | C33 | sing | 1.54Å | 1.54Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C23 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| N5 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.55Å | 1.51Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.55Å | 1.52Å | |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C29 | sing | 1.51Å | 1.50Å | |
| C26 | C28 | sing | 1.51Å | 1.51Å | |
| C29 | N6 | sing | 1.47Å | 1.45Å | |
| N6 | C31 | sing | 1.47Å | 1.45Å | |
| N6 | C30 | sing | 1.47Å | 1.46Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.08Å | 1.08Å | |
| C39 | H40 | sing | 1.08Å | 1.08Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| N8 | H44 | sing | 0.97Å | 1.00Å | |
| N8 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 117.6° | 120.7° |
| C | C1 | C5 | 123.3° | 120.7° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.7° | 119.3° |
| C2 | C1 | C5 | 119.1° | 118.6° |
| C1 | C2 | H4 | 120.1° | 120.4° |
| C2 | C3 | N8 | 122.1° | 119.7° |
| C2 | C3 | N | 121.7° | 120.7° |
| C3 | C2 | H4 | 120.2° | 120.3° |
| C1 | C5 | C6 | 119.1° | 120.4° |
| C1 | C5 | C4 | 117.3° | 119.2° |
| F2 | C6 | C5 | 113.0° | 109.5° |
| F2 | C6 | F | 104.0° | 109.4° |
| F2 | C6 | F1 | 104.7° | 109.5° |
| N8 | C3 | N | 116.2° | 119.7° |
| C3 | N8 | H44 | 109.5° | 120.0° |
| C3 | N8 | H45 | 109.5° | 119.9° |
| C3 | N | C4 | 119.0° | 121.5° |
| C6 | C5 | C4 | 123.6° | 120.4° |
| C5 | C6 | F | 113.7° | 109.5° |
| C5 | C6 | F1 | 114.4° | 109.5° |
| C5 | C4 | N | 123.2° | 120.6° |
| C5 | C4 | C7 | 123.5° | 119.7° |
| F | C6 | F1 | 106.0° | 109.4° |
| N | C4 | C7 | 113.1° | 119.7° |
| CL | C8 | C7 | 118.6° | 119.6° |
| CL | C8 | C9 | 119.4° | 119.6° |
| C4 | C7 | C8 | 120.8° | 119.7° |
| C4 | C7 | C12 | 121.1° | 119.7° |
| C8 | C7 | C12 | 117.7° | 120.6° |
| C7 | C8 | C9 | 122.0° | 120.8° |
| C7 | C12 | F3 | 119.3° | 120.4° |
| C7 | C12 | C11 | 123.2° | 119.3° |
| C8 | C9 | C10 | 120.5° | 119.9° |
| C8 | C9 | H5 | 119.7° | 120.1° |
| C9 | C10 | C11 | 118.6° | 120.0° |
| C9 | C10 | C14 | 126.1° | 121.8° |
| C10 | C9 | H5 | 119.8° | 120.1° |
| F3 | C12 | C11 | 117.5° | 120.3° |
| C12 | C11 | C10 | 117.9° | 119.5° |
| C12 | C11 | N1 | 118.7° | 121.8° |
| C19 | C18 | N3 | 112.8° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.5° |
| C19 | C18 | H | 107.9° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.4° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C11 | C10 | C14 | 115.3° | 118.2° |
| C10 | C11 | N1 | 123.3° | 118.8° |
| C10 | C14 | N3 | 122.5° | 120.8° |
| C10 | C14 | N2 | 120.1° | 118.4° |
| C11 | N1 | C13 | 114.8° | 120.4° |
| N3 | C18 | C17 | 108.5° | 109.4° |
| C18 | N3 | C14 | 120.1° | 111.0° |
| C18 | N3 | C15 | 113.5° | 111.3° |
| N3 | C18 | H | 108.1° | 109.5° |
| C18 | C17 | N4 | 110.5° | 108.6° |
| C18 | C17 | H11 | 109.2° | 109.6° |
| C18 | C17 | H10 | 109.2° | 109.8° |
| C17 | C18 | H | 107.9° | 109.5° |
| N1 | C13 | N2 | 128.1° | 122.8° |
| N1 | C13 | O1 | 112.3° | 118.6° |
| N3 | C14 | N2 | 117.4° | 120.8° |
| C14 | N3 | C15 | 124.4° | 111.0° |
| C14 | N2 | C13 | 118.5° | 121.4° |
| N3 | C15 | C16 | 110.9° | 109.3° |
| N3 | C15 | H7 | 109.1° | 109.5° |
| N3 | C15 | H6 | 109.1° | 109.5° |
| C17 | N4 | C20 | 120.5° | 120.9° |
| C17 | N4 | C16 | 112.8° | 118.2° |
| N4 | C17 | H11 | 109.2° | 109.6° |
| N4 | C17 | H10 | 109.2° | 109.7° |
| N2 | C13 | O1 | 119.7° | 118.6° |
| C13 | O1 | C32 | 117.2° | 117.0° |
| O | C20 | N4 | 121.0° | 120.0° |
| O | C20 | C21 | 120.8° | 120.0° |
| C15 | C16 | N4 | 110.4° | 108.6° |
| C16 | C15 | H7 | 109.1° | 109.5° |
| C16 | C15 | H6 | 109.1° | 109.5° |
| C15 | C16 | H9 | 109.2° | 109.6° |
| C15 | C16 | H8 | 109.3° | 109.6° |
| C20 | N4 | C16 | 126.7° | 120.9° |
| N4 | C20 | C21 | 117.9° | 120.0° |
| N4 | C16 | H9 | 109.3° | 109.6° |
| N4 | C16 | H8 | 109.2° | 109.7° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C20 | C21 | H15 | 120.0° | 120.0° |
| O1 | C32 | C33 | 107.0° | 109.5° |
| O1 | C32 | H31 | 110.1° | 109.5° |
| O1 | C32 | H30 | 110.1° | 109.4° |
| C21 | C22 | C23 | 126.3° | 120.0° |
| C22 | C21 | H15 | 120.0° | 120.0° |
| C21 | C22 | H16 | 116.9° | 120.0° |
| C32 | C33 | N7 | 110.2° | 111.0° |
| C32 | C33 | C40 | 106.5° | 111.0° |
| C32 | C33 | C34 | 112.9° | 111.0° |
| C33 | C32 | H31 | 110.1° | 109.4° |
| C33 | C32 | H30 | 110.1° | 109.5° |
| C22 | C23 | N5 | 117.8° | 119.7° |
| C22 | C23 | C24 | 119.7° | 119.8° |
| C23 | C22 | H16 | 116.9° | 120.0° |
| N7 | C37 | C38 | 105.0° | 104.9° |
| C37 | N7 | C33 | 106.4° | 107.8° |
| C37 | N7 | C36 | 115.0° | 110.6° |
| N7 | C37 | H39 | 110.6° | 110.3° |
| N7 | C37 | H38 | 110.6° | 110.3° |
| C37 | C38 | C40 | 107.2° | 101.9° |
| C37 | C38 | C39 | 126.6° | 128.9° |
| C38 | C37 | H39 | 110.6° | 111.2° |
| C38 | C37 | H38 | 110.6° | 109.6° |
| C33 | N7 | C36 | 109.6° | 108.3° |
| N7 | C33 | C40 | 108.7° | 107.5° |
| N7 | C33 | C34 | 105.4° | 107.3° |
| N7 | C36 | C35 | 105.4° | 104.7° |
| N7 | C36 | H36 | 110.5° | 110.4° |
| N7 | C36 | H37 | 110.5° | 110.5° |
| C40 | C38 | C39 | 126.2° | 129.2° |
| C38 | C40 | C33 | 102.7° | 103.2° |
| C38 | C40 | H43 | 111.2° | 110.6° |
| C38 | C40 | H42 | 111.1° | 110.7° |
| C38 | C39 | H41 | 120.0° | 120.0° |
| C38 | C39 | H40 | 120.0° | 120.0° |
| C40 | C33 | C34 | 113.1° | 109.0° |
| C33 | C40 | H43 | 111.1° | 110.6° |
| C33 | C40 | H42 | 111.1° | 110.7° |
| C33 | C34 | C35 | 104.1° | 103.2° |
| C33 | C34 | H33 | 110.8° | 110.7° |
| C33 | C34 | H32 | 110.8° | 110.7° |
| N5 | C23 | C24 | 122.5° | 120.5° |
| C23 | N5 | C27 | 116.8° | 121.6° |
| C23 | C24 | C25 | 119.8° | 119.1° |
| C23 | C24 | H17 | 120.1° | 120.4° |
| N5 | C27 | C26 | 125.0° | 121.0° |
| N5 | C27 | H18 | 117.5° | 119.6° |
| C24 | C25 | C26 | 118.5° | 118.5° |
| C24 | C25 | C29 | 119.5° | 120.7° |
| C25 | C24 | H17 | 120.1° | 120.5° |
| C36 | C35 | C34 | 105.4° | 101.6° |
| C36 | C35 | H34 | 110.5° | 111.0° |
| C36 | C35 | H35 | 110.5° | 111.0° |
| C35 | C36 | H36 | 110.4° | 110.3° |
| C35 | C36 | H37 | 110.5° | 110.4° |
| C27 | C26 | C25 | 117.4° | 119.4° |
| C27 | C26 | C28 | 120.6° | 120.3° |
| C26 | C27 | H18 | 117.5° | 119.5° |
| C35 | C34 | H33 | 110.8° | 110.7° |
| C35 | C34 | H32 | 110.8° | 110.6° |
| C34 | C35 | H34 | 110.5° | 111.0° |
| C34 | C35 | H35 | 110.5° | 111.0° |
| C26 | C25 | C29 | 122.0° | 120.7° |
| C25 | C26 | C28 | 121.9° | 120.3° |
| C25 | C29 | N6 | 109.9° | 109.5° |
| C25 | C29 | H23 | 109.4° | 109.5° |
| C25 | C29 | H22 | 109.3° | 109.5° |
| C26 | C28 | H20 | 109.5° | 109.5° |
| C26 | C28 | H21 | 109.5° | 109.5° |
| C26 | C28 | H19 | 109.5° | 109.4° |
| C29 | N6 | C31 | 109.7° | 111.0° |
| C29 | N6 | C30 | 110.8° | 111.0° |
| N6 | C29 | H23 | 109.3° | 109.5° |
| N6 | C29 | H22 | 109.4° | 109.5° |
| C31 | N6 | C30 | 111.4° | 111.0° |
| N6 | C31 | H28 | 109.5° | 109.5° |
| N6 | C31 | H29 | 109.5° | 109.5° |
| N6 | C31 | H27 | 109.5° | 109.5° |
| N6 | C30 | H26 | 109.5° | 109.5° |
| N6 | C30 | H25 | 109.5° | 109.5° |
| N6 | C30 | H24 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.4° |
| H7 | C15 | H6 | 109.5° | 109.5° |
| H9 | C16 | H8 | 109.5° | 109.7° |
| H11 | C17 | H10 | 109.5° | 109.6° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H12 | 109.5° | 109.5° |
| H14 | C19 | H12 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H19 | 109.4° | 109.6° |
| H21 | C28 | H19 | 109.5° | 109.5° |
| H23 | C29 | H22 | 109.5° | 109.4° |
| H26 | C30 | H25 | 109.5° | 109.5° |
| H26 | C30 | H24 | 109.5° | 109.5° |
| H25 | C30 | H24 | 109.5° | 109.4° |
| H28 | C31 | H29 | 109.5° | 109.4° |
| H28 | C31 | H27 | 109.5° | 109.5° |
| H29 | C31 | H27 | 109.4° | 109.5° |
| H31 | C32 | H30 | 109.5° | 109.5° |
| H33 | C34 | H32 | 109.5° | 110.7° |
| H34 | C35 | H35 | 109.5° | 110.9° |
| H36 | C36 | H37 | 109.5° | 110.4° |
| H39 | C37 | H38 | 109.5° | 110.4° |
| H41 | C39 | H40 | 120.0° | 120.0° |
| H43 | C40 | H42 | 109.5° | 110.8° |
| H44 | N8 | H45 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C5 | 178.9° | 179.7° |
| C | C1 | C2 | C3 | 177.9° | 179.8° |
| C | C1 | C5 | C6 | 4.6° | 0.3° |
| C | C1 | C5 | C4 | 177.2° | 179.8° |
| C | C1 | C2 | H4 | 2.1° | 0.2° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.1° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 180.0° |
| C1 | C2 | C3 | N8 | 177.8° | 180.0° |
| C1 | C2 | C3 | N | 0.6° | 0.0° |
| C2 | C1 | C5 | C6 | 176.6° | 180.0° |
| C2 | C1 | C5 | C4 | 1.7° | 0.0° |
| C2 | C1 | C | H2 | 90.5° | 86.7° |
| C2 | C1 | C | H1 | 149.5° | 33.3° |
| C2 | C1 | C | H3 | 29.5° | 153.2° |
| C3 | C2 | C1 | C5 | 1.0° | 0.1° |
| C2 | C3 | N8 | N | 178.4° | 180.0° |
| C2 | C3 | N | C4 | 0.9° | 0.0° |
| C2 | C3 | N8 | H44 | 178.5° | 180.0° |
| C2 | C3 | N8 | H45 | 61.6° | 0.0° |
| C1 | C5 | C6 | F2 | 44.3° | 31.1° |
| C1 | C5 | C6 | C4 | 178.2° | 180.0° |
| C1 | C5 | C6 | F | 74.0° | 88.9° |
| C1 | C5 | C6 | F1 | 164.0° | 151.2° |
| C1 | C5 | C4 | N | 2.1° | 0.0° |
| C1 | C5 | C4 | C7 | 171.9° | 180.0° |
| C5 | C1 | C2 | H4 | 179.0° | 179.9° |
| C5 | C1 | C | H2 | 90.6° | 93.5° |
| C5 | C1 | C | H1 | 29.4° | 146.5° |
| C5 | C1 | C | H3 | 149.4° | 26.5° |
| F2 | C6 | C5 | F | 118.3° | 120.0° |
| F2 | C6 | C5 | F1 | 119.7° | 120.1° |
| F2 | C6 | C5 | C4 | 133.9° | 148.9° |
| F2 | C6 | F | F1 | 110.1° | 120.0° |
| N8 | C3 | N | C4 | 177.5° | 180.0° |
| N8 | C3 | C2 | H4 | 2.2° | 0.0° |
| C3 | N8 | H44 | H45 | 120.0° | 180.0° |
| C3 | N | C4 | C5 | 1.8° | 0.0° |
| C3 | N | C4 | C7 | 172.8° | 180.0° |
| N | C3 | C2 | H4 | 179.4° | 180.0° |
| N | C3 | N8 | H44 | 0.0° | 0.0° |
| N | C3 | N8 | H45 | 120.0° | 180.0° |
| C5 | C6 | F | F1 | 126.5° | 120.0° |
| C6 | C5 | C4 | N | 176.0° | 180.0° |
| C6 | C5 | C4 | C7 | 9.9° | 0.0° |
| C4 | C5 | C6 | F | 107.9° | 91.2° |
| C4 | C5 | C6 | F1 | 14.1° | 28.8° |
| C5 | C4 | N | C7 | 174.6° | 180.0° |
| C5 | C4 | C7 | C8 | 103.1° | 113.8° |
| C5 | C4 | C7 | C12 | 84.2° | 66.2° |
| N | C4 | C7 | C8 | 82.3° | 66.2° |
| N | C4 | C7 | C12 | 90.4° | 113.8° |
| CL | C8 | C7 | C4 | 9.6° | 0.0° |
| CL | C8 | C7 | C9 | 180.0° | 179.9° |
| CL | C8 | C7 | C12 | 177.5° | 180.0° |
| CL | C8 | C9 | C10 | 179.5° | 180.0° |
| CL | C8 | C9 | H5 | 0.5° | 0.0° |
| C4 | C7 | C8 | C12 | 172.9° | 180.0° |
| C4 | C7 | C8 | C9 | 170.5° | 179.9° |
| C4 | C7 | C12 | F3 | 13.1° | 0.1° |
| C4 | C7 | C12 | C11 | 169.3° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C8 | C7 | C12 | F3 | 174.0° | 179.9° |
| C8 | C7 | C12 | C11 | 3.7° | 0.0° |
| C7 | C8 | C9 | H5 | 179.5° | 180.0° |
| C12 | C7 | C8 | C9 | 2.4° | 0.1° |
| C7 | C12 | F3 | C11 | 177.8° | 180.0° |
| C7 | C12 | C11 | C10 | 2.8° | 0.0° |
| C7 | C12 | C11 | N1 | 175.8° | 180.0° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C8 | C9 | C10 | C14 | 178.5° | 179.9° |
| C9 | C10 | C11 | C12 | 0.7° | 0.1° |
| C9 | C10 | C11 | C14 | 179.0° | 179.9° |
| C9 | C10 | C11 | N1 | 177.8° | 180.0° |
| C9 | C10 | C14 | N3 | 2.2° | 0.0° |
| C9 | C10 | C14 | N2 | 178.2° | 179.9° |
| F3 | C12 | C11 | C10 | 174.9° | 179.9° |
| F3 | C12 | C11 | N1 | 6.6° | 0.0° |
| C12 | C11 | C10 | N1 | 178.5° | 180.0° |
| C12 | C11 | C10 | C14 | 179.7° | 180.0° |
| C12 | C11 | N1 | C13 | 179.6° | 180.0° |
| C19 | C18 | N3 | C17 | 124.1° | 120.0° |
| C19 | C18 | N3 | H | 119.2° | 120.0° |
| C19 | C18 | C17 | H | 118.3° | 120.1° |
| C19 | C18 | N3 | C14 | 125.7° | 52.8° |
| C19 | C18 | N3 | C15 | 69.4° | 176.9° |
| C19 | C18 | C17 | N4 | 69.2° | 173.8° |
| C19 | C18 | C17 | H11 | 170.6° | 54.1° |
| C19 | C18 | C17 | H10 | 50.9° | 66.4° |
| C18 | C19 | H13 | H14 | 120.0° | 119.9° |
| C18 | C19 | H13 | H12 | 120.0° | 120.0° |
| C18 | C19 | H14 | H12 | 120.0° | 120.0° |
| C10 | C11 | N1 | C13 | 1.1° | 0.0° |
| C11 | C10 | C14 | N3 | 178.8° | 180.0° |
| C11 | C10 | C14 | N2 | 0.7° | 0.0° |
| C11 | C10 | C9 | H5 | 179.6° | 180.0° |
| C14 | C10 | C11 | N1 | 1.2° | 0.0° |
| C10 | C14 | N3 | C18 | 46.5° | 120.7° |
| C10 | C14 | N3 | N2 | 179.5° | 179.9° |
| C10 | C14 | N3 | C15 | 150.3° | 115.0° |
| C10 | C14 | N2 | C13 | 0.2° | 0.1° |
| C14 | C10 | C9 | H5 | 1.5° | 0.0° |
| C11 | N1 | C13 | N2 | 0.5° | 0.0° |
| C11 | N1 | C13 | O1 | 178.2° | 179.9° |
| N3 | C18 | C17 | H | 116.8° | 119.9° |
| C18 | N3 | C14 | C15 | 163.2° | 124.3° |
| C18 | N3 | C14 | N2 | 133.0° | 59.2° |
| N3 | C18 | C17 | N4 | 55.6° | 53.8° |
| C18 | N3 | C15 | C16 | 54.3° | 63.1° |
| C18 | N3 | C15 | H7 | 65.9° | 176.9° |
| C18 | N3 | C15 | H6 | 174.5° | 56.9° |
| N3 | C18 | C17 | H11 | 64.6° | 65.9° |
| N3 | C18 | C17 | H10 | 175.7° | 173.7° |
| N3 | C18 | C19 | H13 | 180.0° | 64.6° |
| N3 | C18 | C19 | H14 | 60.0° | 175.5° |
| N3 | C18 | C19 | H12 | 60.0° | 55.5° |
| C17 | C18 | N3 | C14 | 110.1° | 172.8° |
| C17 | C18 | N3 | C15 | 54.8° | 63.1° |
| C18 | C17 | N4 | H11 | 120.1° | 119.7° |
| C18 | C17 | N4 | H10 | 120.1° | 120.0° |
| C18 | C17 | N4 | C20 | 120.8° | 128.8° |
| C18 | C17 | N4 | C16 | 59.2° | 51.1° |
| C18 | C17 | H11 | H10 | 119.6° | 120.6° |
| C17 | C18 | C19 | H13 | 57.6° | 55.3° |
| C17 | C18 | C19 | H14 | 177.6° | 64.6° |
| C17 | C18 | C19 | H12 | 62.4° | 175.4° |
| N1 | C13 | N2 | C14 | 0.1° | 0.1° |
| N1 | C13 | N2 | O1 | 178.6° | 179.9° |
| N1 | C13 | O1 | C32 | 179.3° | 0.1° |
| N3 | C14 | N2 | C13 | 179.4° | 180.0° |
| C14 | N3 | C15 | C16 | 109.9° | 172.8° |
| C14 | N3 | C15 | H7 | 129.9° | 52.8° |
| C14 | N3 | C15 | H6 | 10.3° | 67.3° |
| C14 | N3 | C18 | H | 6.6° | 67.3° |
| N2 | C14 | N3 | C15 | 30.1° | 65.1° |
| C14 | N2 | C13 | O1 | 178.5° | 180.0° |
| N3 | C15 | C16 | H7 | 120.2° | 120.0° |
| N3 | C15 | C16 | H6 | 120.2° | 119.9° |
| N3 | C15 | C16 | N4 | 53.6° | 53.8° |
| N3 | C15 | H7 | H6 | 119.3° | 120.1° |
| N3 | C15 | C16 | H9 | 173.8° | 173.6° |
| N3 | C15 | C16 | H8 | 66.5° | 65.9° |
| C15 | N3 | C18 | H | 171.5° | 56.9° |
| C17 | N4 | C20 | O | 14.3° | 4.7° |
| C17 | N4 | C16 | C15 | 57.4° | 51.2° |
| C17 | N4 | C20 | C16 | 180.0° | 180.0° |
| C17 | N4 | C20 | C21 | 172.4° | 175.3° |
| C17 | N4 | C16 | H9 | 177.5° | 170.9° |
| C17 | N4 | C16 | H8 | 62.8° | 68.6° |
| N4 | C17 | H11 | H10 | 119.5° | 120.4° |
| N4 | C17 | C18 | H | 172.4° | 66.2° |
| N2 | C13 | O1 | C32 | 0.5° | 180.0° |
| C13 | O1 | C32 | C33 | 177.4° | 179.9° |
| C13 | O1 | C32 | H31 | 63.0° | 60.0° |
| C13 | O1 | C32 | H30 | 57.8° | 60.0° |
| O | C20 | N4 | C21 | 173.3° | 180.0° |
| O | C20 | N4 | C16 | 165.7° | 175.3° |
| O | C20 | C21 | C22 | 36.5° | 5.4° |
| O | C20 | C21 | H15 | 143.4° | 174.6° |
| C15 | C16 | N4 | C20 | 122.7° | 128.8° |
| C15 | C16 | N4 | H9 | 120.1° | 119.7° |
| C15 | C16 | N4 | H8 | 120.1° | 119.7° |
| C16 | C15 | H7 | H6 | 119.4° | 120.1° |
| C15 | C16 | H9 | H8 | 119.6° | 120.4° |
| N4 | C20 | C21 | C22 | 136.8° | 174.6° |
| C20 | N4 | C16 | H9 | 2.6° | 9.1° |
| C20 | N4 | C16 | H8 | 117.2° | 111.4° |
| C20 | N4 | C17 | H11 | 119.1° | 111.5° |
| C20 | N4 | C17 | H10 | 0.6° | 8.9° |
| N4 | C20 | C21 | H15 | 43.3° | 5.4° |
| C16 | N4 | C20 | C21 | 7.6° | 4.7° |
| N4 | C16 | C15 | H7 | 66.6° | 173.8° |
| N4 | C16 | C15 | H6 | 173.8° | 66.1° |
| N4 | C16 | H9 | H8 | 119.6° | 120.5° |
| C16 | N4 | C17 | H11 | 60.9° | 68.6° |
| C16 | N4 | C17 | H10 | 179.4° | 171.1° |
| C20 | C21 | C22 | H15 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 176.9° | 180.0° |
| C20 | C21 | C22 | H16 | 3.1° | 0.0° |
| O1 | C32 | C33 | H31 | 119.6° | 120.0° |
| O1 | C32 | C33 | H30 | 119.6° | 120.0° |
| O1 | C32 | C33 | N7 | 52.1° | 179.8° |
| O1 | C32 | C33 | C40 | 65.6° | 60.4° |
| O1 | C32 | C33 | C34 | 169.7° | 61.0° |
| O1 | C32 | H31 | H30 | 121.1° | 120.0° |
| C21 | C22 | C23 | H16 | 180.0° | 180.0° |
| C21 | C22 | C23 | N5 | 1.4° | 0.0° |
| C21 | C22 | C23 | C24 | 179.8° | 179.8° |
| C32 | C33 | N7 | C37 | 108.3° | 121.5° |
| C32 | C33 | N7 | C40 | 116.3° | 121.5° |
| C32 | C33 | N7 | C34 | 122.1° | 121.4° |
| C32 | C33 | N7 | C36 | 126.7° | 118.8° |
| C32 | C33 | C40 | C38 | 130.4° | 98.3° |
| C32 | C33 | C40 | C34 | 124.6° | 122.5° |
| C32 | C33 | C34 | C35 | 142.5° | 142.5° |
| C33 | C32 | H31 | H30 | 121.1° | 120.1° |
| C32 | C33 | C34 | H33 | 98.3° | 99.0° |
| C32 | C33 | C34 | H32 | 23.4° | 24.1° |
| C32 | C33 | C40 | H43 | 110.7° | 20.1° |
| C32 | C33 | C40 | H42 | 11.5° | 143.3° |
| C22 | C23 | N5 | C24 | 178.8° | 179.8° |
| C22 | C23 | N5 | C27 | 178.6° | 179.7° |
| C22 | C23 | C24 | C25 | 178.9° | 180.0° |
| C23 | C22 | C21 | H15 | 3.0° | 0.0° |
| C22 | C23 | C24 | H17 | 1.1° | 0.1° |
| N7 | C37 | C38 | H39 | 119.3° | 119.2° |
| N7 | C37 | C38 | H38 | 119.3° | 118.4° |
| C37 | N7 | C33 | C36 | 125.0° | 119.7° |
| N7 | C37 | C38 | C40 | 32.9° | 37.0° |
| N7 | C37 | C38 | C39 | 145.0° | 142.3° |
| C37 | N7 | C33 | C40 | 8.0° | 0.0° |
| C37 | N7 | C33 | C34 | 129.6° | 117.0° |
| C37 | N7 | C36 | C35 | 104.8° | 92.4° |
| C37 | N7 | C36 | H36 | 135.9° | 26.3° |
| C37 | N7 | C36 | H37 | 14.6° | 148.7° |
| N7 | C37 | H39 | H38 | 122.1° | 122.1° |
| C38 | C37 | N7 | C33 | 24.5° | 23.0° |
| C38 | C37 | N7 | C36 | 97.1° | 141.2° |
| C37 | C38 | C40 | C39 | 177.9° | 179.3° |
| C37 | C38 | C40 | C33 | 26.9° | 36.0° |
| C38 | C37 | H39 | H38 | 122.0° | 121.9° |
| C37 | C38 | C39 | H41 | 177.6° | 0.1° |
| C37 | C38 | C39 | H40 | 2.4° | 180.0° |
| C37 | C38 | C40 | H43 | 145.8° | 154.4° |
| C37 | C38 | C40 | H42 | 91.9° | 82.5° |
| N7 | C33 | C40 | C38 | 11.7° | 23.3° |
| N7 | C33 | C40 | C34 | 116.7° | 115.9° |
| C33 | N7 | C36 | C35 | 15.1° | 25.5° |
| N7 | C33 | C34 | C35 | 22.1° | 21.1° |
| N7 | C33 | C32 | H31 | 171.7° | 60.2° |
| N7 | C33 | C32 | H30 | 67.5° | 59.8° |
| N7 | C33 | C34 | H33 | 141.3° | 139.5° |
| N7 | C33 | C34 | H32 | 97.0° | 97.3° |
| C33 | N7 | C36 | H36 | 104.3° | 144.2° |
| C33 | N7 | C36 | H37 | 134.4° | 93.4° |
| C33 | N7 | C37 | H39 | 143.8° | 142.9° |
| C33 | N7 | C37 | H38 | 94.8° | 95.0° |
| N7 | C33 | C40 | H43 | 130.6° | 141.7° |
| N7 | C33 | C40 | H42 | 107.2° | 95.2° |
| C36 | N7 | C33 | C40 | 117.0° | 119.7° |
| C36 | N7 | C33 | C34 | 4.6° | 2.6° |
| N7 | C36 | C35 | H36 | 119.4° | 118.8° |
| N7 | C36 | C35 | H37 | 119.4° | 119.0° |
| N7 | C36 | C35 | C34 | 29.0° | 37.7° |
| N7 | C36 | C35 | H34 | 148.3° | 80.4° |
| N7 | C36 | C35 | H35 | 90.4° | 155.8° |
| N7 | C36 | H36 | H37 | 121.9° | 122.5° |
| C36 | N7 | C37 | H39 | 22.2° | 98.9° |
| C36 | N7 | C37 | H38 | 143.6° | 23.2° |
| C38 | C40 | C33 | H43 | 118.9° | 118.4° |
| C38 | C40 | C33 | H42 | 118.9° | 118.4° |
| C38 | C40 | C33 | C34 | 105.0° | 139.2° |
| C40 | C38 | C37 | H39 | 152.2° | 156.2° |
| C40 | C38 | C37 | H38 | 86.4° | 81.5° |
| C40 | C38 | C39 | H41 | 0.0° | 179.2° |
| C40 | C38 | C39 | H40 | 180.0° | 0.9° |
| C38 | C40 | H43 | H42 | 123.2° | 123.1° |
| C39 | C38 | C40 | C33 | 151.0° | 143.3° |
| C39 | C38 | C37 | H39 | 25.7° | 23.1° |
| C39 | C38 | C37 | H38 | 95.7° | 99.3° |
| C38 | C39 | H41 | H40 | 180.0° | 179.9° |
| C39 | C38 | C40 | H43 | 32.1° | 24.9° |
| C39 | C38 | C40 | H42 | 90.1° | 98.3° |
| C40 | C33 | C34 | C35 | 96.5° | 95.0° |
| C40 | C33 | C32 | H31 | 54.0° | 179.6° |
| C40 | C33 | C32 | H30 | 174.8° | 59.6° |
| C40 | C33 | C34 | H33 | 22.6° | 23.5° |
| C40 | C33 | C34 | H32 | 144.4° | 146.6° |
| C33 | C40 | H43 | H42 | 123.2° | 123.2° |
| C33 | C34 | C35 | C36 | 31.6° | 35.4° |
| C33 | C34 | C35 | H33 | 119.1° | 118.4° |
| C33 | C34 | C35 | H32 | 119.1° | 118.4° |
| C34 | C33 | C32 | H31 | 70.7° | 59.0° |
| C34 | C33 | C32 | H30 | 50.1° | 179.0° |
| C33 | C34 | H33 | H32 | 122.5° | 123.1° |
| C33 | C34 | C35 | H34 | 150.9° | 82.8° |
| C33 | C34 | C35 | H35 | 87.8° | 153.5° |
| C34 | C33 | C40 | H43 | 13.9° | 102.4° |
| C34 | C33 | C40 | H42 | 136.1° | 20.8° |
| N5 | C23 | C24 | C25 | 0.2° | 0.2° |
| C23 | N5 | C27 | C26 | 0.4° | 0.5° |
| N5 | C23 | C22 | H16 | 178.6° | 180.0° |
| N5 | C23 | C24 | H17 | 179.8° | 179.8° |
| C23 | N5 | C27 | H18 | 179.6° | 179.7° |
| C24 | C23 | N5 | C27 | 0.1° | 0.4° |
| C23 | C24 | C25 | H17 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | C29 | 179.0° | 180.0° |
| C24 | C23 | C22 | H16 | 0.2° | 0.2° |
| N5 | C27 | C26 | H18 | 180.0° | 179.8° |
| N5 | C27 | C26 | C25 | 0.4° | 0.2° |
| N5 | C27 | C26 | C28 | 178.4° | 179.8° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | C29 | 179.2° | 180.0° |
| C24 | C25 | C26 | C28 | 178.8° | 180.0° |
| C24 | C25 | C29 | N6 | 72.2° | 100.0° |
| C24 | C25 | C29 | H23 | 47.8° | 20.0° |
| C24 | C25 | C29 | H22 | 167.7° | 140.0° |
| C36 | C35 | C34 | H34 | 119.4° | 118.1° |
| C36 | C35 | C34 | H35 | 119.4° | 118.1° |
| C36 | C35 | C34 | H33 | 150.7° | 153.8° |
| C36 | C35 | C34 | H32 | 87.6° | 83.1° |
| C36 | C35 | H34 | H35 | 121.9° | 123.9° |
| C35 | C36 | H36 | H37 | 121.9° | 122.3° |
| C27 | C26 | C25 | C28 | 178.8° | 180.0° |
| C27 | C26 | C25 | C29 | 179.2° | 180.0° |
| C27 | C26 | C28 | H20 | 89.4° | 90.0° |
| C27 | C26 | C28 | H21 | 150.6° | 30.0° |
| C27 | C26 | C28 | H19 | 30.6° | 150.0° |
| C35 | C34 | H33 | H32 | 122.5° | 123.1° |
| C34 | C35 | H34 | H35 | 121.9° | 123.8° |
| C34 | C35 | C36 | H36 | 90.4° | 156.5° |
| C34 | C35 | C36 | H37 | 148.3° | 81.2° |
| C26 | C25 | C29 | N6 | 106.9° | 80.0° |
| C26 | C25 | C24 | H17 | 179.8° | 180.0° |
| C25 | C26 | C27 | H18 | 179.6° | 180.0° |
| C25 | C26 | C28 | H20 | 89.4° | 90.0° |
| C25 | C26 | C28 | H21 | 30.6° | 150.0° |
| C25 | C26 | C28 | H19 | 150.7° | 30.0° |
| C26 | C25 | C29 | H23 | 133.0° | 160.0° |
| C26 | C25 | C29 | H22 | 13.1° | 40.0° |
| C29 | C25 | C26 | C28 | 0.4° | 0.0° |
| C25 | C29 | N6 | H23 | 120.1° | 120.0° |
| C25 | C29 | N6 | H22 | 120.1° | 120.0° |
| C25 | C29 | N6 | C31 | 166.9° | 170.0° |
| C25 | C29 | N6 | C30 | 69.7° | 66.0° |
| C29 | C25 | C24 | H17 | 1.0° | 0.0° |
| C25 | C29 | H23 | H22 | 119.8° | 120.0° |
| C28 | C26 | C27 | H18 | 1.6° | 0.0° |
| C26 | C28 | H20 | H21 | 120.0° | 120.0° |
| C26 | C28 | H20 | H19 | 120.0° | 120.0° |
| C26 | C28 | H21 | H19 | 120.0° | 119.9° |
| C29 | N6 | C31 | C30 | 123.1° | 124.0° |
| N6 | C29 | H23 | H22 | 119.8° | 120.0° |
| C29 | N6 | C30 | H26 | 180.0° | 60.0° |
| C29 | N6 | C30 | H25 | 60.0° | 180.0° |
| C29 | N6 | C30 | H24 | 60.0° | 60.0° |
| C29 | N6 | C31 | H28 | 180.0° | 60.0° |
| C29 | N6 | C31 | H29 | 60.0° | 180.0° |
| C29 | N6 | C31 | H27 | 60.0° | 60.0° |
| C31 | N6 | C29 | H23 | 46.8° | 70.0° |
| C31 | N6 | C29 | H22 | 73.1° | 50.0° |
| C31 | N6 | C30 | H26 | 57.5° | 63.9° |
| C31 | N6 | C30 | H25 | 62.5° | 56.1° |
| C31 | N6 | C30 | H24 | 177.5° | 176.0° |
| N6 | C31 | H28 | H29 | 120.0° | 120.0° |
| N6 | C31 | H28 | H27 | 120.0° | 120.1° |
| N6 | C31 | H29 | H27 | 120.0° | 120.0° |
| C30 | N6 | C29 | H23 | 170.3° | 54.0° |
| C30 | N6 | C29 | H22 | 50.4° | 173.9° |
| N6 | C30 | H26 | H25 | 120.0° | 120.0° |
| N6 | C30 | H26 | H24 | 120.0° | 120.0° |
| N6 | C30 | H25 | H24 | 120.0° | 120.0° |
| C30 | N6 | C31 | H28 | 56.9° | 176.0° |
| C30 | N6 | C31 | H29 | 176.9° | 56.1° |
| C30 | N6 | C31 | H27 | 63.1° | 64.0° |
| H2 | C | H1 | H3 | 120.0° | 120.0° |
| H7 | C15 | C16 | H9 | 53.5° | 66.5° |
| H7 | C15 | C16 | H8 | 173.3° | 54.0° |
| H6 | C15 | C16 | H9 | 66.1° | 53.6° |
| H6 | C15 | C16 | H8 | 53.7° | 174.1° |
| H11 | C17 | C18 | H | 52.3° | 174.2° |
| H10 | C17 | C18 | H | 67.5° | 53.7° |
| H | C18 | C19 | H13 | 60.7° | 175.4° |
| H | C18 | C19 | H14 | 59.3° | 55.4° |
| H | C18 | C19 | H12 | 179.3° | 64.5° |
| H13 | C19 | H14 | H12 | 120.0° | 120.0° |
| H15 | C21 | C22 | H16 | 177.0° | 179.9° |
| H20 | C28 | H21 | H19 | 120.0° | 120.1° |
| H26 | C30 | H25 | H24 | 120.0° | 120.0° |
| H28 | C31 | H29 | H27 | 120.0° | 120.0° |
| H33 | C34 | C35 | H34 | 89.9° | 35.7° |
| H33 | C34 | C35 | H35 | 31.3° | 88.1° |
| H32 | C34 | C35 | H34 | 31.8° | 158.8° |
| H32 | C34 | C35 | H35 | 153.0° | 35.0° |
| H34 | C35 | C36 | H36 | 29.0° | 38.4° |
| H34 | C35 | C36 | H37 | 92.3° | 160.7° |
| H35 | C35 | C36 | H36 | 150.3° | 85.5° |
| H35 | C35 | C36 | H37 | 29.0° | 36.8° |
