Y8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F6 | C35 | sing | 1.40Å | 1.32Å | |
| F5 | C35 | sing | 1.40Å | 1.34Å | |
| C28 | C19 | sing | 1.53Å | 1.52Å | |
| C35 | F4 | sing | 1.40Å | 1.31Å | |
| C35 | C6 | sing | 1.51Å | 1.50Å | |
| C30 | C29 | sing | 1.51Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C19 | N4 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C29 | O2 | doub | 1.21Å | 1.23Å | |
| C29 | N4 | sing | 1.35Å | 1.35Å | |
| N6 | C32 | sing | 1.38Å | 1.34Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| C32 | S1 | sing | 1.75Å | 1.73Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.37Å | Aromatic |
| S1 | C15 | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C34 | trip | 1.14Å | 1.15Å | |
| C33 | C34 | sing | 1.43Å | 1.42Å | |
| C33 | C16 | sing | 1.46Å | 1.46Å | Aromatic |
| F3 | C14 | sing | 1.35Å | 1.34Å | |
| C15 | C14 | doub | 1.40Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C11 | doub | 1.42Å | 1.41Å | Aromatic |
| C20 | N3 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| N3 | C2 | sing | 1.38Å | 1.37Å | |
| C3 | C2 | doub | 1.42Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | C27 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | F1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | doub | 1.34Å | 1.36Å | Aromatic |
| N1 | C1 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | O1 | sing | 1.35Å | 1.32Å | |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | N5 | sing | 1.48Å | 1.51Å | |
| C10 | C24 | sing | 1.54Å | 1.54Å | |
| C10 | C23 | sing | 1.54Å | 1.53Å | |
| N5 | C26 | sing | 1.48Å | 1.49Å | |
| N5 | C21 | sing | 1.48Å | 1.49Å | |
| C25 | C24 | sing | 1.55Å | 1.51Å | |
| C25 | C26 | sing | 1.55Å | 1.49Å | |
| C21 | C22 | sing | 1.55Å | 1.51Å | |
| C23 | C22 | sing | 1.55Å | 1.51Å | |
| C22 | F2 | sing | 1.40Å | 1.40Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F6 | C35 | F5 | 105.3° | 109.5° |
| F6 | C35 | F4 | 107.0° | 109.5° |
| F6 | C35 | C6 | 113.0° | 109.5° |
| F5 | C35 | F4 | 105.7° | 109.5° |
| F5 | C35 | C6 | 113.6° | 109.5° |
| C28 | C19 | N4 | 111.8° | 109.6° |
| C28 | C19 | C20 | 107.6° | 109.6° |
| C19 | C28 | H13 | 109.5° | 109.5° |
| C19 | C28 | H14 | 109.5° | 109.5° |
| C19 | C28 | H15 | 109.5° | 109.4° |
| C28 | C19 | H19 | 108.6° | 109.6° |
| F4 | C35 | C6 | 111.7° | 109.4° |
| C35 | C6 | C5 | 120.1° | 119.6° |
| C35 | C6 | C7 | 120.3° | 119.6° |
| C29 | C30 | C31 | 112.1° | 109.5° |
| C30 | C29 | O2 | 119.6° | 120.0° |
| C30 | C29 | N4 | 119.3° | 120.0° |
| C29 | C30 | H27 | 108.8° | 109.5° |
| C29 | C30 | H28 | 108.8° | 109.5° |
| C31 | C30 | H27 | 108.8° | 109.5° |
| C31 | C30 | H28 | 108.8° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C30 | C31 | H30 | 109.4° | 109.4° |
| C30 | C31 | H31 | 109.5° | 109.4° |
| N4 | C19 | C20 | 111.0° | 108.5° |
| C19 | N4 | C29 | 122.1° | 120.9° |
| C19 | N4 | C18 | 116.5° | 118.2° |
| N4 | C19 | H19 | 109.2° | 109.6° |
| C19 | C20 | N3 | 112.3° | 109.4° |
| C19 | C20 | H4 | 108.7° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.6° |
| C20 | C19 | H19 | 108.5° | 109.8° |
| O2 | C29 | N4 | 121.1° | 120.0° |
| C29 | N4 | C18 | 121.4° | 120.9° |
| N6 | C32 | S1 | 120.4° | 124.6° |
| N6 | C32 | C33 | 127.6° | 124.5° |
| C32 | N6 | H35 | 109.5° | 120.0° |
| C32 | N6 | H36 | 109.5° | 120.0° |
| N4 | C18 | C17 | 108.3° | 108.5° |
| N4 | C18 | H17 | 109.8° | 109.6° |
| N4 | C18 | H18 | 109.8° | 109.8° |
| S1 | C32 | C33 | 111.9° | 110.9° |
| C32 | S1 | C15 | 90.9° | 92.6° |
| C32 | C33 | C34 | 123.4° | 123.1° |
| C32 | C33 | C16 | 114.5° | 113.8° |
| S1 | C15 | C14 | 124.1° | 129.8° |
| S1 | C15 | C16 | 114.3° | 110.5° |
| C5 | C6 | C7 | 119.6° | 120.8° |
| C6 | C5 | C3 | 121.8° | 119.9° |
| C6 | C5 | H1 | 119.1° | 120.1° |
| C6 | C7 | C11 | 122.5° | 119.7° |
| C6 | C7 | C8 | 120.2° | 120.6° |
| N7 | C34 | C33 | 173.2° | 179.9° |
| C34 | C33 | C16 | 122.1° | 123.1° |
| C33 | C16 | C15 | 108.3° | 112.2° |
| C33 | C16 | C11 | 131.8° | 128.8° |
| F3 | C14 | C15 | 118.9° | 119.6° |
| F3 | C14 | C13 | 121.2° | 119.7° |
| C14 | C15 | C16 | 121.6° | 119.8° |
| C15 | C14 | C13 | 120.0° | 120.7° |
| C15 | C16 | C11 | 119.5° | 119.0° |
| C5 | C3 | C2 | 126.0° | 121.8° |
| C5 | C3 | C4 | 117.7° | 120.0° |
| C3 | C5 | H1 | 119.1° | 120.0° |
| C14 | C13 | C12 | 119.4° | 120.3° |
| C14 | C13 | H2 | 120.3° | 119.8° |
| C16 | C11 | C12 | 117.2° | 120.2° |
| C16 | C11 | C7 | 121.8° | 119.9° |
| C20 | N3 | C17 | 114.7° | 111.3° |
| C20 | N3 | C2 | 126.5° | 111.0° |
| N3 | C20 | H4 | 108.8° | 109.4° |
| N3 | C20 | H5 | 108.7° | 109.5° |
| C18 | C17 | N3 | 108.7° | 109.3° |
| C18 | C17 | C27 | 112.7° | 109.5° |
| C18 | C17 | H3 | 108.5° | 109.5° |
| C17 | C18 | H17 | 109.8° | 109.6° |
| C17 | C18 | H18 | 109.8° | 109.6° |
| C13 | C12 | C11 | 122.1° | 120.1° |
| C12 | C13 | H2 | 120.3° | 119.9° |
| C13 | C12 | H16 | 119.0° | 119.9° |
| C12 | C11 | C7 | 120.5° | 119.9° |
| C11 | C12 | H16 | 118.9° | 120.0° |
| C11 | C7 | C8 | 117.3° | 119.7° |
| C7 | C8 | C4 | 120.5° | 119.4° |
| C7 | C8 | F1 | 120.3° | 120.4° |
| C17 | N3 | C2 | 115.4° | 111.0° |
| N3 | C17 | C27 | 110.0° | 109.5° |
| N3 | C17 | H3 | 108.8° | 109.5° |
| N3 | C2 | C3 | 125.5° | 120.9° |
| N3 | C2 | N1 | 115.3° | 120.8° |
| C2 | C3 | C4 | 116.3° | 118.2° |
| C3 | C2 | N1 | 119.1° | 118.3° |
| C3 | C4 | C8 | 120.2° | 119.4° |
| C3 | C4 | N2 | 121.7° | 118.8° |
| C27 | C17 | H3 | 108.1° | 109.5° |
| C17 | C27 | H24 | 109.5° | 109.5° |
| C17 | C27 | H25 | 109.5° | 109.5° |
| C17 | C27 | H26 | 109.5° | 109.5° |
| C2 | N1 | C1 | 120.7° | 121.5° |
| C4 | C8 | F1 | 119.2° | 120.3° |
| C8 | C4 | N2 | 118.1° | 121.8° |
| C4 | N2 | C1 | 117.4° | 120.4° |
| N1 | C1 | N2 | 124.9° | 122.8° |
| N1 | C1 | O1 | 118.9° | 118.6° |
| N2 | C1 | O1 | 116.2° | 118.6° |
| C1 | O1 | C9 | 118.5° | 117.0° |
| O1 | C9 | C10 | 104.7° | 109.5° |
| O1 | C9 | H32 | 110.7° | 109.5° |
| O1 | C9 | H33 | 110.7° | 109.5° |
| C9 | C10 | N5 | 111.8° | 110.8° |
| C9 | C10 | C24 | 111.0° | 110.8° |
| C9 | C10 | C23 | 110.7° | 111.5° |
| C10 | C9 | H32 | 110.6° | 109.5° |
| C10 | C9 | H33 | 110.6° | 109.5° |
| N5 | C10 | C24 | 102.8° | 107.2° |
| N5 | C10 | C23 | 103.6° | 107.3° |
| C10 | N5 | C26 | 108.8° | 108.4° |
| C10 | N5 | C21 | 108.0° | 108.3° |
| C24 | C10 | C23 | 116.4° | 109.1° |
| C10 | C24 | C25 | 104.3° | 103.0° |
| C10 | C24 | H9 | 110.8° | 110.7° |
| C10 | C24 | H10 | 110.8° | 110.7° |
| C10 | C23 | C22 | 105.6° | 103.2° |
| C10 | C23 | H20 | 110.4° | 110.7° |
| C10 | C23 | H21 | 110.5° | 110.7° |
| C26 | N5 | C21 | 119.8° | 109.7° |
| N5 | C26 | C25 | 103.4° | 104.9° |
| N5 | C26 | H11 | 111.0° | 110.4° |
| N5 | C26 | H12 | 111.0° | 110.4° |
| N5 | C21 | C22 | 102.6° | 104.7° |
| N5 | C21 | H6 | 111.1° | 110.4° |
| N5 | C21 | H7 | 111.2° | 110.5° |
| C24 | C25 | C26 | 101.9° | 101.6° |
| C25 | C24 | H9 | 110.7° | 110.7° |
| C25 | C24 | H10 | 110.7° | 110.9° |
| C24 | C25 | H22 | 111.3° | 111.0° |
| C24 | C25 | H23 | 111.3° | 110.9° |
| C25 | C26 | H11 | 111.0° | 110.4° |
| C25 | C26 | H12 | 111.0° | 110.3° |
| C26 | C25 | H22 | 111.3° | 111.0° |
| C26 | C25 | H23 | 111.4° | 111.0° |
| C21 | C22 | C23 | 101.4° | 101.6° |
| C21 | C22 | F2 | 113.1° | 111.0° |
| C22 | C21 | H6 | 111.2° | 110.4° |
| C22 | C21 | H7 | 111.2° | 110.4° |
| C21 | C22 | H8 | 110.3° | 111.0° |
| C23 | C22 | F2 | 109.2° | 111.0° |
| C23 | C22 | H8 | 110.3° | 111.1° |
| C22 | C23 | H20 | 110.5° | 110.7° |
| C22 | C23 | H21 | 110.4° | 110.7° |
| F2 | C22 | H8 | 112.0° | 110.9° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 110.4° |
| H9 | C24 | H10 | 109.5° | 110.6° |
| H11 | C26 | H12 | 109.4° | 110.3° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H13 | C28 | H15 | 109.4° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.6° |
| H20 | C23 | H21 | 109.5° | 110.7° |
| H22 | C25 | H23 | 109.5° | 111.0° |
| H24 | C27 | H25 | 109.4° | 109.5° |
| H24 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.4° | 109.4° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H31 | 109.4° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C9 | H33 | 109.5° | 109.4° |
| H35 | N6 | H36 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F6 | C35 | F5 | F4 | 113.0° | 120.0° |
| F6 | C35 | F5 | C6 | 124.2° | 120.0° |
| F6 | C35 | F4 | C6 | 124.1° | 120.0° |
| F6 | C35 | C6 | C5 | 5.0° | 120.0° |
| F6 | C35 | C6 | C7 | 176.9° | 60.0° |
| F5 | C35 | F4 | C6 | 124.0° | 120.0° |
| F5 | C35 | C6 | C5 | 124.9° | 120.0° |
| F5 | C35 | C6 | C7 | 57.0° | 60.0° |
| C28 | C19 | N4 | C20 | 120.2° | 119.7° |
| C28 | C19 | N4 | H19 | 120.2° | 120.4° |
| C28 | C19 | C20 | H19 | 117.4° | 120.5° |
| C28 | C19 | N4 | C29 | 106.5° | 111.4° |
| C28 | C19 | N4 | C18 | 72.0° | 68.5° |
| C28 | C19 | C20 | N3 | 80.9° | 65.9° |
| C28 | C19 | C20 | H4 | 39.5° | 174.2° |
| C28 | C19 | C20 | H5 | 158.7° | 54.1° |
| C19 | C28 | H13 | H14 | 120.0° | 120.0° |
| C19 | C28 | H13 | H15 | 120.0° | 120.0° |
| C19 | C28 | H14 | H15 | 120.0° | 119.9° |
| F4 | C35 | C6 | C5 | 115.7° | 0.0° |
| F4 | C35 | C6 | C7 | 62.4° | 180.0° |
| C35 | C6 | C5 | C7 | 178.1° | 180.0° |
| C35 | C6 | C5 | C3 | 178.8° | 180.0° |
| C35 | C6 | C7 | C11 | 2.4° | 0.0° |
| C35 | C6 | C7 | C8 | 180.0° | 180.0° |
| C35 | C6 | C5 | H1 | 1.2° | 0.1° |
| C29 | C30 | C31 | H27 | 120.4° | 120.0° |
| C29 | C30 | C31 | H28 | 120.4° | 120.0° |
| C30 | C29 | N4 | C19 | 7.6° | 180.0° |
| C30 | C29 | O2 | N4 | 179.1° | 180.0° |
| C30 | C29 | N4 | C18 | 174.0° | 0.1° |
| C29 | C30 | H27 | H28 | 118.8° | 120.0° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | H30 | 60.0° | 60.0° |
| C29 | C30 | C31 | H31 | 60.0° | 60.0° |
| C31 | C30 | C29 | O2 | 83.3° | 0.0° |
| C31 | C30 | C29 | N4 | 97.6° | 180.0° |
| C31 | C30 | H27 | H28 | 118.8° | 120.0° |
| C30 | C31 | H29 | H30 | 120.0° | 120.0° |
| C30 | C31 | H29 | H31 | 120.0° | 119.9° |
| C30 | C31 | H30 | H31 | 120.0° | 119.9° |
| N4 | C19 | C20 | H19 | 120.0° | 119.8° |
| C19 | N4 | C29 | O2 | 171.6° | 0.0° |
| C19 | N4 | C29 | C18 | 178.4° | 179.9° |
| N4 | C19 | C20 | N3 | 41.7° | 53.8° |
| C19 | N4 | C18 | C17 | 57.8° | 51.2° |
| N4 | C19 | C20 | H4 | 162.2° | 66.1° |
| N4 | C19 | C20 | H5 | 78.7° | 173.8° |
| N4 | C19 | C28 | H13 | 180.0° | 60.0° |
| N4 | C19 | C28 | H14 | 60.0° | 179.9° |
| N4 | C19 | C28 | H15 | 60.0° | 60.0° |
| C19 | N4 | C18 | H17 | 177.6° | 68.5° |
| C19 | N4 | C18 | H18 | 62.0° | 171.0° |
| C20 | C19 | N4 | C29 | 133.3° | 128.9° |
| C20 | C19 | N4 | C18 | 48.2° | 51.2° |
| C19 | C20 | N3 | H4 | 120.4° | 119.9° |
| C19 | C20 | N3 | H5 | 120.4° | 120.1° |
| C19 | C20 | N3 | C17 | 49.9° | 63.1° |
| C19 | C20 | N3 | C2 | 151.9° | 172.7° |
| C19 | C20 | H4 | H5 | 118.7° | 120.1° |
| C20 | C19 | C28 | H13 | 57.9° | 179.0° |
| C20 | C19 | C28 | H14 | 62.1° | 60.9° |
| C20 | C19 | C28 | H15 | 177.9° | 59.0° |
| O2 | C29 | N4 | C18 | 6.9° | 179.9° |
| O2 | C29 | C30 | H27 | 156.3° | 120.0° |
| O2 | C29 | C30 | H28 | 37.1° | 120.0° |
| C29 | N4 | C18 | C17 | 123.7° | 128.8° |
| C29 | N4 | C18 | H17 | 3.9° | 111.4° |
| C29 | N4 | C18 | H18 | 116.5° | 9.0° |
| C29 | N4 | C19 | H19 | 13.7° | 9.0° |
| N4 | C29 | C30 | H27 | 22.8° | 60.0° |
| N4 | C29 | C30 | H28 | 142.0° | 60.0° |
| N6 | C32 | S1 | C33 | 176.6° | 179.9° |
| N6 | C32 | S1 | C15 | 174.5° | 179.9° |
| N6 | C32 | C33 | C34 | 2.0° | 0.1° |
| N6 | C32 | C33 | C16 | 175.7° | 179.9° |
| C32 | N6 | H35 | H36 | 120.0° | 179.9° |
| N4 | C18 | C17 | H17 | 119.8° | 119.7° |
| N4 | C18 | C17 | H18 | 119.8° | 119.9° |
| N4 | C18 | C17 | N3 | 59.9° | 53.9° |
| N4 | C18 | C17 | C27 | 62.3° | 66.1° |
| N4 | C18 | C17 | H3 | 178.0° | 173.8° |
| N4 | C18 | H17 | H18 | 120.6° | 120.6° |
| C18 | N4 | C19 | H19 | 167.8° | 171.1° |
| S1 | C32 | C33 | C34 | 178.3° | 180.0° |
| S1 | C32 | C33 | C16 | 0.6° | 0.0° |
| C32 | S1 | C15 | C14 | 177.1° | 180.0° |
| C32 | S1 | C15 | C16 | 3.3° | 0.0° |
| S1 | C32 | N6 | H35 | 0.0° | 0.1° |
| S1 | C32 | N6 | H36 | 120.0° | 180.0° |
| C33 | C32 | S1 | C15 | 2.1° | 0.0° |
| C32 | C33 | C34 | N7 | 66.4° | 101.6° |
| C32 | C33 | C34 | C16 | 177.5° | 179.9° |
| C32 | C33 | C16 | C15 | 1.7° | 0.0° |
| C32 | C33 | C16 | C11 | 175.1° | 179.7° |
| C33 | C32 | N6 | H35 | 176.1° | 180.0° |
| C33 | C32 | N6 | H36 | 64.0° | 0.1° |
| S1 | C15 | C16 | C33 | 3.3° | 0.0° |
| S1 | C15 | C14 | F3 | 0.4° | 0.0° |
| S1 | C15 | C14 | C16 | 179.7° | 180.0° |
| S1 | C15 | C14 | C13 | 179.7° | 180.0° |
| S1 | C15 | C16 | C11 | 177.7° | 179.7° |
| C6 | C5 | C3 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | C11 | 179.5° | 180.0° |
| C5 | C6 | C7 | C8 | 1.9° | 0.0° |
| C6 | C5 | C3 | C2 | 179.7° | 180.0° |
| C6 | C5 | C3 | C4 | 1.0° | 0.0° |
| C7 | C6 | C5 | C3 | 0.7° | 0.0° |
| C6 | C7 | C11 | C16 | 98.0° | 89.5° |
| C6 | C7 | C11 | C12 | 90.5° | 90.0° |
| C6 | C7 | C11 | C8 | 177.7° | 180.0° |
| C6 | C7 | C8 | C4 | 1.3° | 0.1° |
| C6 | C7 | C8 | F1 | 178.8° | 180.0° |
| C7 | C6 | C5 | H1 | 179.3° | 180.0° |
| N7 | C34 | C33 | C16 | 111.2° | 78.5° |
| C34 | C33 | C16 | C15 | 176.0° | 179.9° |
| C34 | C33 | C16 | C11 | 2.6° | 0.2° |
| C33 | C16 | C15 | C14 | 177.0° | 180.0° |
| C33 | C16 | C15 | C11 | 174.4° | 179.7° |
| C33 | C16 | C11 | C12 | 177.9° | 179.8° |
| C33 | C16 | C11 | C7 | 10.4° | 0.3° |
| F3 | C14 | C15 | C13 | 179.2° | 180.0° |
| F3 | C14 | C15 | C16 | 179.9° | 180.0° |
| F3 | C14 | C13 | C12 | 179.4° | 180.0° |
| F3 | C14 | C13 | H2 | 0.6° | 0.3° |
| C14 | C15 | C16 | C11 | 2.6° | 0.2° |
| C15 | C14 | C13 | C12 | 1.4° | 0.0° |
| C15 | C14 | C13 | H2 | 178.6° | 179.7° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C15 | C16 | C11 | C12 | 5.0° | 0.5° |
| C15 | C16 | C11 | C7 | 176.8° | 180.0° |
| C5 | C3 | C2 | N3 | 4.8° | 0.0° |
| C5 | C3 | C2 | C4 | 178.7° | 180.0° |
| C5 | C3 | C2 | N1 | 179.3° | 180.0° |
| C5 | C3 | C4 | C8 | 1.6° | 0.1° |
| C5 | C3 | C4 | N2 | 179.8° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 4.1° | 0.3° |
| C14 | C13 | C12 | H16 | 175.9° | 179.8° |
| C16 | C11 | C12 | C13 | 5.9° | 0.6° |
| C16 | C11 | C12 | C7 | 171.9° | 179.5° |
| C16 | C11 | C7 | C8 | 79.7° | 90.5° |
| C16 | C11 | C12 | H16 | 174.1° | 179.5° |
| C20 | N3 | C17 | C18 | 59.2° | 63.1° |
| C20 | N3 | C17 | C2 | 160.7° | 124.2° |
| C20 | N3 | C2 | C3 | 43.6° | 158.5° |
| C20 | N3 | C17 | C27 | 64.6° | 56.9° |
| C20 | N3 | C2 | N1 | 132.5° | 21.4° |
| C20 | N3 | C17 | H3 | 177.2° | 177.0° |
| N3 | C20 | H4 | H5 | 118.7° | 120.0° |
| N3 | C20 | C19 | H19 | 161.7° | 173.6° |
| C18 | C17 | N3 | C27 | 123.8° | 120.0° |
| C18 | C17 | N3 | H3 | 118.0° | 120.0° |
| C18 | C17 | N3 | C2 | 140.1° | 172.7° |
| C18 | C17 | C27 | H3 | 119.9° | 120.1° |
| C17 | C18 | H17 | H18 | 120.5° | 120.4° |
| C18 | C17 | C27 | H24 | 180.0° | 59.8° |
| C18 | C17 | C27 | H25 | 60.0° | 60.2° |
| C18 | C17 | C27 | H26 | 60.0° | 179.9° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | C7 | 177.8° | 180.0° |
| C12 | C11 | C7 | C8 | 91.8° | 90.0° |
| C11 | C12 | C13 | H2 | 175.8° | 180.0° |
| C11 | C7 | C8 | C4 | 179.1° | 180.0° |
| C11 | C7 | C8 | F1 | 1.1° | 0.0° |
| C7 | C11 | C12 | H16 | 2.3° | 0.0° |
| C7 | C8 | C4 | C3 | 0.5° | 0.1° |
| C7 | C8 | C4 | F1 | 179.9° | 180.0° |
| C7 | C8 | C4 | N2 | 179.2° | 180.0° |
| C17 | N3 | C2 | C3 | 158.3° | 77.2° |
| N3 | C17 | C27 | H3 | 118.7° | 120.0° |
| C17 | N3 | C2 | N1 | 25.6° | 102.9° |
| C17 | N3 | C20 | H4 | 170.3° | 56.9° |
| C17 | N3 | C20 | H5 | 70.5° | 176.9° |
| N3 | C17 | C18 | H17 | 179.7° | 65.9° |
| N3 | C17 | C18 | H18 | 59.9° | 173.8° |
| N3 | C17 | C27 | H24 | 58.6° | 60.0° |
| N3 | C17 | C27 | H25 | 61.4° | 180.0° |
| N3 | C17 | C27 | H26 | 178.6° | 60.0° |
| N3 | C2 | C3 | N1 | 175.9° | 179.9° |
| N3 | C2 | C3 | C4 | 176.5° | 180.0° |
| C2 | N3 | C17 | C27 | 96.1° | 67.3° |
| N3 | C2 | N1 | C1 | 176.3° | 180.0° |
| C2 | N3 | C17 | H3 | 22.1° | 52.7° |
| C2 | N3 | C20 | H4 | 31.5° | 67.3° |
| C2 | N3 | C20 | H5 | 87.7° | 52.7° |
| C2 | C3 | C4 | C8 | 179.6° | 180.0° |
| C2 | C3 | C4 | N2 | 0.9° | 0.1° |
| C3 | C2 | N1 | C1 | 0.0° | 0.1° |
| C2 | C3 | C5 | H1 | 0.3° | 0.0° |
| C4 | C3 | C2 | N1 | 0.5° | 0.1° |
| C3 | C4 | C8 | N2 | 178.7° | 179.9° |
| C3 | C4 | C8 | F1 | 179.4° | 180.0° |
| C3 | C4 | N2 | C1 | 0.7° | 0.1° |
| C4 | C3 | C5 | H1 | 179.0° | 180.0° |
| C27 | C17 | C18 | H17 | 57.5° | 174.2° |
| C27 | C17 | C18 | H18 | 177.8° | 53.8° |
| C17 | C27 | H24 | H25 | 120.0° | 120.0° |
| C17 | C27 | H24 | H26 | 120.0° | 120.0° |
| C17 | C27 | H25 | H26 | 120.0° | 120.0° |
| C2 | N1 | C1 | N2 | 0.3° | 0.1° |
| C2 | N1 | C1 | O1 | 178.8° | 180.0° |
| C8 | C4 | N2 | C1 | 179.4° | 180.0° |
| F1 | C8 | C4 | N2 | 0.7° | 0.1° |
| C4 | N2 | C1 | N1 | 0.1° | 0.1° |
| C4 | N2 | C1 | O1 | 178.5° | 180.0° |
| N1 | C1 | N2 | O1 | 178.6° | 179.9° |
| N1 | C1 | O1 | C9 | 3.5° | 180.0° |
| N2 | C1 | O1 | C9 | 175.2° | 0.1° |
| C1 | O1 | C9 | C10 | 175.8° | 180.0° |
| C1 | O1 | C9 | H32 | 65.0° | 60.0° |
| C1 | O1 | C9 | H33 | 56.6° | 60.0° |
| O1 | C9 | C10 | H32 | 119.2° | 120.0° |
| O1 | C9 | C10 | H33 | 119.2° | 120.0° |
| O1 | C9 | C10 | N5 | 59.8° | 180.0° |
| O1 | C9 | C10 | C24 | 174.1° | 61.1° |
| O1 | C9 | C10 | C23 | 55.1° | 60.5° |
| O1 | C9 | H32 | H33 | 122.2° | 120.0° |
| C9 | C10 | N5 | C24 | 119.2° | 121.0° |
| C9 | C10 | N5 | C23 | 119.2° | 121.9° |
| C9 | C10 | C24 | C23 | 127.8° | 123.1° |
| C9 | C10 | N5 | C26 | 118.2° | 121.7° |
| C9 | C10 | N5 | C21 | 110.3° | 119.4° |
| C9 | C10 | C24 | C25 | 93.4° | 98.5° |
| C9 | C10 | C23 | C22 | 138.5° | 142.6° |
| C9 | C10 | C24 | H9 | 147.4° | 143.2° |
| C9 | C10 | C24 | H10 | 25.7° | 20.2° |
| C9 | C10 | C23 | H20 | 19.1° | 24.2° |
| C9 | C10 | C23 | H21 | 102.2° | 98.9° |
| C10 | C9 | H32 | H33 | 122.2° | 120.0° |
| N5 | C10 | C24 | C23 | 112.5° | 115.9° |
| C10 | N5 | C26 | C21 | 124.8° | 118.0° |
| N5 | C10 | C24 | C25 | 26.3° | 22.6° |
| C10 | N5 | C26 | C25 | 25.0° | 23.9° |
| C10 | N5 | C21 | C22 | 32.7° | 25.4° |
| N5 | C10 | C23 | C22 | 18.5° | 21.1° |
| C10 | N5 | C21 | H6 | 151.6° | 93.4° |
| C10 | N5 | C21 | H7 | 86.2° | 144.3° |
| N5 | C10 | C24 | H9 | 92.9° | 95.8° |
| N5 | C10 | C24 | H10 | 145.4° | 141.2° |
| C10 | N5 | C26 | H11 | 144.0° | 95.0° |
| C10 | N5 | C26 | H12 | 94.1° | 142.8° |
| N5 | C10 | C23 | H20 | 100.9° | 97.3° |
| N5 | C10 | C23 | H21 | 137.9° | 139.5° |
| N5 | C10 | C9 | H32 | 179.1° | 60.0° |
| N5 | C10 | C9 | H33 | 59.4° | 59.9° |
| C24 | C10 | N5 | C26 | 1.0° | 0.7° |
| C24 | C10 | N5 | C21 | 130.5° | 119.6° |
| C10 | C24 | C25 | H9 | 119.2° | 118.3° |
| C10 | C24 | C25 | H10 | 119.2° | 118.5° |
| C10 | C24 | C25 | C26 | 42.0° | 35.8° |
| C24 | C10 | C23 | C22 | 93.6° | 94.7° |
| C10 | C24 | H9 | H10 | 122.4° | 123.1° |
| C24 | C10 | C23 | H20 | 147.0° | 146.9° |
| C24 | C10 | C23 | H21 | 25.8° | 23.7° |
| C10 | C24 | C25 | H22 | 160.7° | 153.9° |
| C10 | C24 | C25 | H23 | 76.8° | 82.3° |
| C24 | C10 | C9 | H32 | 66.7° | 178.9° |
| C24 | C10 | C9 | H33 | 54.8° | 58.9° |
| C23 | C10 | N5 | C26 | 122.6° | 116.4° |
| C23 | C10 | N5 | C21 | 8.9° | 2.5° |
| C23 | C10 | C24 | C25 | 138.7° | 138.5° |
| C10 | C23 | C22 | C21 | 38.2° | 35.3° |
| C10 | C23 | C22 | H20 | 119.4° | 118.4° |
| C10 | C23 | C22 | H21 | 119.4° | 118.4° |
| C10 | C23 | C22 | F2 | 81.4° | 82.7° |
| C10 | C23 | C22 | H8 | 155.1° | 153.4° |
| C23 | C10 | C24 | H9 | 19.6° | 20.1° |
| C23 | C10 | C24 | H10 | 102.1° | 102.9° |
| C10 | C23 | H20 | H21 | 121.8° | 123.2° |
| C23 | C10 | C9 | H32 | 64.2° | 59.5° |
| C23 | C10 | C9 | H33 | 174.3° | 179.4° |
| N5 | C26 | C25 | C24 | 40.7° | 37.1° |
| N5 | C26 | C25 | H11 | 119.0° | 118.9° |
| N5 | C26 | C25 | H12 | 119.1° | 119.0° |
| C26 | N5 | C21 | C22 | 92.5° | 92.8° |
| C26 | N5 | C21 | H6 | 26.4° | 148.5° |
| C26 | N5 | C21 | H7 | 148.6° | 26.1° |
| N5 | C26 | H11 | H12 | 122.8° | 122.3° |
| N5 | C26 | C25 | H22 | 159.5° | 155.1° |
| N5 | C26 | C25 | H23 | 78.0° | 80.9° |
| C21 | N5 | C26 | C25 | 149.8° | 142.0° |
| N5 | C21 | C22 | H6 | 118.9° | 118.8° |
| N5 | C21 | C22 | H7 | 118.9° | 118.9° |
| N5 | C21 | C22 | C23 | 43.0° | 37.6° |
| N5 | C21 | C22 | F2 | 73.7° | 80.4° |
| N5 | C21 | H6 | H7 | 123.2° | 122.4° |
| N5 | C21 | C22 | H8 | 159.9° | 155.8° |
| C21 | N5 | C26 | H11 | 91.2° | 23.0° |
| C21 | N5 | C26 | H12 | 30.7° | 99.2° |
| C24 | C25 | C26 | H22 | 118.8° | 118.0° |
| C24 | C25 | C26 | H23 | 118.8° | 118.0° |
| C25 | C24 | H9 | H10 | 122.4° | 123.3° |
| C24 | C25 | C26 | H11 | 159.8° | 81.8° |
| C24 | C25 | C26 | H12 | 78.3° | 156.0° |
| C24 | C25 | H22 | H23 | 123.5° | 123.8° |
| C26 | C25 | C24 | H9 | 77.2° | 82.5° |
| C26 | C25 | C24 | H10 | 161.2° | 154.3° |
| C25 | C26 | H11 | H12 | 122.8° | 122.2° |
| C26 | C25 | H22 | H23 | 123.5° | 124.0° |
| C21 | C22 | C23 | F2 | 119.6° | 118.0° |
| C21 | C22 | C23 | H8 | 116.9° | 118.1° |
| C21 | C22 | F2 | H8 | 125.5° | 123.8° |
| C22 | C21 | H6 | H7 | 123.2° | 122.3° |
| C21 | C22 | C23 | H20 | 81.2° | 83.1° |
| C21 | C22 | C23 | H21 | 157.6° | 153.7° |
| C23 | C22 | F2 | H8 | 122.5° | 123.9° |
| C23 | C22 | C21 | H6 | 161.9° | 81.1° |
| C23 | C22 | C21 | H7 | 75.9° | 156.6° |
| C22 | C23 | H20 | H21 | 121.8° | 123.1° |
| F2 | C22 | C21 | H6 | 45.2° | 160.8° |
| F2 | C22 | C21 | H7 | 167.4° | 38.5° |
| F2 | C22 | C23 | H20 | 159.3° | 158.8° |
| F2 | C22 | C23 | H21 | 38.0° | 35.7° |
| H2 | C13 | C12 | H16 | 4.1° | 0.0° |
| H3 | C17 | C18 | H17 | 62.2° | 54.1° |
| H3 | C17 | C18 | H18 | 58.2° | 66.3° |
| H3 | C17 | C27 | H24 | 60.1° | 180.0° |
| H3 | C17 | C27 | H25 | 179.9° | 59.9° |
| H3 | C17 | C27 | H26 | 59.9° | 60.0° |
| H4 | C20 | C19 | H19 | 77.8° | 53.7° |
| H5 | C20 | C19 | H19 | 41.3° | 66.4° |
| H6 | C21 | C22 | H8 | 81.2° | 37.0° |
| H7 | C21 | C22 | H8 | 41.0° | 85.3° |
| H8 | C22 | C23 | H20 | 35.7° | 35.0° |
| H8 | C22 | C23 | H21 | 85.5° | 88.2° |
| H9 | C24 | C25 | H22 | 41.5° | 35.6° |
| H9 | C24 | C25 | H23 | 164.0° | 159.4° |
| H10 | C24 | C25 | H22 | 80.1° | 87.6° |
| H10 | C24 | C25 | H23 | 42.4° | 36.2° |
| H11 | C26 | C25 | H22 | 81.4° | 36.2° |
| H11 | C26 | C25 | H23 | 41.0° | 160.1° |
| H12 | C26 | C25 | H22 | 40.5° | 85.9° |
| H12 | C26 | C25 | H23 | 162.9° | 38.0° |
| H13 | C28 | H14 | H15 | 119.9° | 120.0° |
| H13 | C28 | C19 | H19 | 59.4° | 60.4° |
| H14 | C28 | C19 | H19 | 179.4° | 59.7° |
| H15 | C28 | C19 | H19 | 60.6° | 179.6° |
| H24 | C27 | H25 | H26 | 120.0° | 120.0° |
| H27 | C30 | C31 | H29 | 59.6° | 60.0° |
| H27 | C30 | C31 | H30 | 179.6° | 180.0° |
| H27 | C30 | C31 | H31 | 60.4° | 60.0° |
| H28 | C30 | C31 | H29 | 59.6° | 60.0° |
| H28 | C30 | C31 | H30 | 60.4° | 60.0° |
| H28 | C30 | C31 | H31 | 179.6° | 179.9° |
| H29 | C31 | H30 | H31 | 120.0° | 120.1° |
