9LY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | doub | 1.35Å | 1.36Å | Aromatic |
| C34 | N33 | sing | 1.36Å | 1.36Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| N32 | C27 | doub | 1.32Å | 1.35Å | Aromatic |
| N32 | C31 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C16 | sing | 1.53Å | 1.53Å | |
| C22 | C16 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| N33 | C31 | sing | 1.40Å | 1.42Å | |
| N33 | N37 | sing | 1.40Å | 1.37Å | Aromatic |
| N10 | C7 | sing | 1.36Å | 1.40Å | Aromatic |
| N10 | C38 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | N37 | doub | 1.31Å | 1.32Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| F5 | C1 | sing | 1.35Å | 1.34Å | |
| C16 | N15 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C28 | C38 | sing | 1.48Å | 1.47Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C38 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| N15 | C12 | sing | 1.35Å | 1.33Å | |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | N9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| N9 | C11 | sing | 1.46Å | 1.49Å | |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | F6 | sing | 1.35Å | 1.35Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| C12 | O14 | doub | 1.21Å | 1.23Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C21 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C36 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N15 | H26 | sing | 0.97Å | 1.00Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 110.9° | 109.5° |
| C24 | C25 | C26 | 111.0° | 109.5° |
| C25 | C24 | H11 | 109.1° | 109.5° |
| C25 | C24 | H12 | 109.1° | 109.5° |
| C24 | C25 | H30 | 109.1° | 109.4° |
| C24 | C25 | H31 | 109.1° | 109.5° |
| C24 | C23 | C22 | 111.5° | 109.5° |
| C23 | C24 | H11 | 109.1° | 109.4° |
| C23 | C24 | H12 | 109.1° | 109.5° |
| C24 | C23 | H28 | 108.9° | 109.5° |
| C24 | C23 | H29 | 108.9° | 109.4° |
| C25 | C26 | C16 | 111.4° | 109.5° |
| C25 | C26 | H13 | 109.0° | 109.5° |
| C25 | C26 | H14 | 109.0° | 109.5° |
| C26 | C25 | H30 | 109.1° | 109.5° |
| C26 | C25 | H31 | 109.1° | 109.5° |
| C23 | C22 | C16 | 111.8° | 109.5° |
| C23 | C22 | H9 | 108.9° | 109.4° |
| C23 | C22 | H10 | 108.9° | 109.5° |
| C22 | C23 | H28 | 109.0° | 109.5° |
| C22 | C23 | H29 | 109.0° | 109.5° |
| C35 | C34 | N33 | 106.8° | 107.7° |
| C34 | C35 | C36 | 105.2° | 107.9° |
| C35 | C34 | H18 | 126.6° | 126.2° |
| C34 | C35 | H19 | 127.4° | 126.0° |
| C34 | N33 | C31 | 127.9° | 126.1° |
| C34 | N33 | N37 | 111.7° | 107.8° |
| N33 | C34 | H18 | 126.6° | 126.2° |
| C35 | C36 | N37 | 112.4° | 108.4° |
| C36 | C35 | H19 | 127.4° | 126.0° |
| C35 | C36 | H20 | 123.8° | 125.8° |
| C27 | N32 | C31 | 117.0° | 121.8° |
| N32 | C27 | C28 | 123.5° | 120.6° |
| N32 | C27 | H17 | 118.2° | 119.7° |
| N32 | C31 | N33 | 114.8° | 119.5° |
| N32 | C31 | C30 | 124.1° | 120.9° |
| C26 | C16 | C22 | 111.3° | 109.5° |
| C26 | C16 | N15 | 110.2° | 109.5° |
| C16 | C26 | H13 | 109.0° | 109.5° |
| C16 | C26 | H14 | 109.0° | 109.5° |
| C26 | C16 | H27 | 108.5° | 109.5° |
| C22 | C16 | N15 | 109.0° | 109.4° |
| C16 | C22 | H9 | 108.9° | 109.4° |
| C16 | C22 | H10 | 108.9° | 109.5° |
| C22 | C16 | H27 | 108.4° | 109.4° |
| C27 | C28 | C38 | 119.1° | 120.5° |
| C27 | C28 | C29 | 117.7° | 119.0° |
| C28 | C27 | H17 | 118.2° | 119.7° |
| C31 | N33 | N37 | 120.3° | 126.1° |
| N33 | C31 | C30 | 121.1° | 119.5° |
| N33 | N37 | C36 | 103.9° | 108.2° |
| C7 | N10 | C38 | 105.1° | 109.6° |
| N10 | C7 | C4 | 130.2° | 133.3° |
| N10 | C7 | C8 | 110.2° | 107.2° |
| N10 | C38 | C28 | 124.2° | 125.1° |
| N10 | C38 | N9 | 112.7° | 109.8° |
| C7 | C4 | C1 | 117.4° | 119.8° |
| C4 | C7 | C8 | 119.6° | 119.5° |
| C7 | C4 | H1 | 121.3° | 120.1° |
| C4 | C1 | F5 | 119.3° | 119.7° |
| C4 | C1 | C2 | 121.8° | 120.4° |
| C1 | C4 | H1 | 121.3° | 120.1° |
| N37 | C36 | H20 | 123.8° | 125.8° |
| C31 | C30 | C29 | 117.5° | 119.3° |
| C31 | C30 | H16 | 121.3° | 120.4° |
| F5 | C1 | C2 | 118.9° | 119.8° |
| C16 | N15 | C12 | 124.4° | 120.0° |
| C16 | N15 | H26 | 117.8° | 120.1° |
| N15 | C16 | H27 | 109.5° | 109.4° |
| C7 | C8 | N9 | 105.2° | 106.2° |
| C7 | C8 | C3 | 123.2° | 120.0° |
| C38 | C28 | C29 | 123.3° | 120.5° |
| C28 | C38 | N9 | 123.1° | 125.1° |
| C28 | C29 | C30 | 120.3° | 118.3° |
| C28 | C29 | H15 | 119.9° | 120.8° |
| C38 | N9 | C8 | 106.8° | 107.2° |
| C38 | N9 | C11 | 125.3° | 126.4° |
| C1 | C2 | C3 | 121.7° | 120.4° |
| C1 | C2 | F6 | 119.1° | 119.8° |
| N15 | C12 | C11 | 114.8° | 120.0° |
| N15 | C12 | O14 | 123.3° | 119.9° |
| C12 | N15 | H26 | 117.8° | 119.9° |
| C30 | C29 | H15 | 119.9° | 120.8° |
| C29 | C30 | H16 | 121.2° | 120.3° |
| N9 | C8 | C3 | 131.6° | 133.8° |
| C8 | N9 | C11 | 127.9° | 126.4° |
| C8 | C3 | C2 | 116.3° | 119.9° |
| C8 | C3 | H32 | 121.9° | 120.1° |
| N9 | C11 | C12 | 109.3° | 109.4° |
| N9 | C11 | C13 | 114.2° | 109.5° |
| N9 | C11 | H21 | 106.7° | 109.5° |
| C3 | C2 | F6 | 119.2° | 119.8° |
| C2 | C3 | H32 | 121.8° | 120.1° |
| C11 | C12 | O14 | 121.9° | 120.0° |
| C12 | C11 | C13 | 114.0° | 109.5° |
| C12 | C11 | H21 | 106.0° | 109.5° |
| C11 | C13 | C21 | 112.0° | 109.5° |
| C11 | C13 | C17 | 111.9° | 109.5° |
| C11 | C13 | H2 | 107.8° | 109.4° |
| C13 | C11 | H21 | 106.1° | 109.4° |
| C21 | C13 | C17 | 109.0° | 109.5° |
| C13 | C21 | C20 | 112.0° | 109.5° |
| C21 | C13 | H2 | 108.0° | 109.5° |
| C13 | C21 | H7 | 108.8° | 109.5° |
| C13 | C21 | H8 | 108.8° | 109.4° |
| C13 | C17 | C18 | 111.3° | 109.5° |
| C17 | C13 | H2 | 108.0° | 109.5° |
| C13 | C17 | H3 | 109.0° | 109.5° |
| C13 | C17 | H4 | 109.0° | 109.5° |
| C21 | C20 | C19 | 111.8° | 109.5° |
| C21 | C20 | H5 | 108.9° | 109.5° |
| C21 | C20 | H6 | 108.9° | 109.5° |
| C20 | C21 | H7 | 108.8° | 109.5° |
| C20 | C21 | H8 | 108.9° | 109.5° |
| C17 | C18 | C19 | 111.3° | 109.4° |
| C18 | C17 | H3 | 109.0° | 109.4° |
| C18 | C17 | H4 | 109.0° | 109.5° |
| C17 | C18 | H22 | 109.0° | 109.5° |
| C17 | C18 | H23 | 109.0° | 109.5° |
| C20 | C19 | C18 | 111.7° | 109.5° |
| C19 | C20 | H5 | 108.9° | 109.4° |
| C19 | C20 | H6 | 108.9° | 109.4° |
| C20 | C19 | H24 | 108.9° | 109.5° |
| C20 | C19 | H25 | 108.9° | 109.5° |
| C19 | C18 | H22 | 109.0° | 109.5° |
| C19 | C18 | H23 | 109.0° | 109.4° |
| C18 | C19 | H24 | 108.9° | 109.5° |
| C18 | C19 | H25 | 108.9° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.4° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H11 | 120.2° | 120.1° |
| C25 | C24 | C23 | H12 | 120.2° | 120.0° |
| C24 | C25 | C26 | H30 | 120.2° | 120.0° |
| C24 | C25 | C26 | H31 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 56.6° | 60.0° |
| C24 | C25 | C26 | C16 | 54.6° | 60.0° |
| C25 | C24 | H11 | H12 | 119.4° | 120.0° |
| C24 | C25 | C26 | H13 | 65.7° | 180.0° |
| C24 | C25 | C26 | H14 | 174.9° | 60.0° |
| C25 | C24 | C23 | H28 | 63.7° | 180.0° |
| C25 | C24 | C23 | H29 | 176.9° | 60.0° |
| C24 | C25 | H30 | H31 | 119.3° | 120.0° |
| C23 | C24 | C25 | C26 | 55.9° | 60.0° |
| C24 | C23 | C22 | H28 | 120.3° | 120.0° |
| C24 | C23 | C22 | H29 | 120.3° | 120.0° |
| C24 | C23 | C22 | C16 | 56.0° | 59.9° |
| C24 | C23 | C22 | H9 | 176.3° | 60.0° |
| C24 | C23 | C22 | H10 | 64.4° | 180.0° |
| C23 | C24 | H11 | H12 | 119.3° | 119.9° |
| C24 | C23 | H28 | H29 | 119.0° | 120.0° |
| C23 | C24 | C25 | H30 | 176.1° | 180.0° |
| C23 | C24 | C25 | H31 | 64.4° | 60.0° |
| C25 | C26 | C16 | H13 | 120.3° | 120.0° |
| C25 | C26 | C16 | H14 | 120.3° | 120.0° |
| C25 | C26 | C16 | C22 | 53.6° | 60.0° |
| C25 | C26 | C16 | N15 | 174.6° | 180.0° |
| C26 | C25 | C24 | H11 | 176.1° | 60.0° |
| C26 | C25 | C24 | H12 | 64.4° | 180.0° |
| C25 | C26 | H13 | H14 | 119.1° | 120.0° |
| C25 | C26 | C16 | H27 | 65.6° | 60.0° |
| C26 | C25 | H30 | H31 | 119.3° | 120.0° |
| C23 | C22 | C16 | C26 | 54.3° | 60.0° |
| C23 | C22 | C16 | H9 | 120.4° | 119.9° |
| C23 | C22 | C16 | H10 | 120.4° | 120.0° |
| C23 | C22 | C16 | N15 | 176.0° | 180.0° |
| C23 | C22 | H9 | H10 | 118.9° | 120.0° |
| C22 | C23 | C24 | H11 | 176.9° | 60.1° |
| C22 | C23 | C24 | H12 | 63.6° | 180.0° |
| C23 | C22 | C16 | H27 | 64.9° | 60.1° |
| C22 | C23 | H28 | H29 | 119.1° | 120.0° |
| C35 | C34 | N33 | H18 | 180.0° | 179.9° |
| C34 | C35 | C36 | H19 | 180.0° | 180.0° |
| C35 | C34 | N33 | C31 | 179.5° | 180.0° |
| C35 | C34 | N33 | N37 | 0.5° | 0.3° |
| C34 | C35 | C36 | N37 | 0.1° | 0.3° |
| C34 | C35 | C36 | H20 | 179.9° | 180.0° |
| N33 | C34 | C35 | C36 | 0.4° | 0.0° |
| C34 | N33 | C31 | N32 | 3.0° | 0.2° |
| C34 | N33 | C31 | N37 | 178.9° | 179.8° |
| C34 | N33 | N37 | C36 | 0.4° | 0.4° |
| C34 | N33 | C31 | C30 | 177.8° | 179.7° |
| N33 | C34 | C35 | H19 | 179.7° | 180.0° |
| C35 | C36 | N37 | N33 | 0.2° | 0.4° |
| C35 | C36 | N37 | H20 | 180.0° | 179.7° |
| C36 | C35 | C34 | H18 | 179.6° | 179.9° |
| N32 | C27 | C28 | H17 | 180.0° | 179.5° |
| C27 | N32 | C31 | N33 | 179.6° | 179.8° |
| C27 | N32 | C31 | C30 | 0.4° | 0.3° |
| N32 | C27 | C28 | C38 | 179.3° | 179.8° |
| N32 | C27 | C28 | C29 | 0.6° | 0.6° |
| C31 | N32 | C27 | C28 | 0.1° | 0.5° |
| N32 | C31 | N33 | C30 | 179.2° | 179.9° |
| N32 | C31 | N33 | N37 | 175.9° | 180.0° |
| N32 | C31 | C30 | C29 | 0.4° | 0.1° |
| N32 | C31 | C30 | H16 | 179.6° | 179.9° |
| C31 | N32 | C27 | H17 | 179.9° | 179.9° |
| C26 | C16 | C22 | N15 | 121.7° | 120.1° |
| C26 | C16 | C22 | H27 | 119.2° | 120.0° |
| C26 | C16 | N15 | H27 | 119.2° | 120.0° |
| C26 | C16 | N15 | C12 | 122.5° | 85.0° |
| C26 | C16 | C22 | H9 | 174.7° | 60.0° |
| C26 | C16 | C22 | H10 | 66.1° | 180.0° |
| C16 | C26 | H13 | H14 | 119.2° | 120.0° |
| C26 | C16 | N15 | H26 | 57.6° | 95.0° |
| C16 | C26 | C25 | H30 | 174.8° | 180.0° |
| C16 | C26 | C25 | H31 | 65.6° | 60.0° |
| C22 | C16 | N15 | H27 | 118.4° | 119.9° |
| C22 | C16 | N15 | C12 | 115.2° | 155.0° |
| C16 | C22 | H9 | H10 | 118.9° | 120.0° |
| C22 | C16 | C26 | H13 | 66.7° | 180.0° |
| C22 | C16 | C26 | H14 | 173.9° | 60.0° |
| C22 | C16 | N15 | H26 | 64.8° | 25.1° |
| C16 | C22 | C23 | H28 | 64.3° | 180.0° |
| C16 | C22 | C23 | H29 | 176.3° | 60.0° |
| C27 | C28 | C38 | N10 | 89.3° | 32.6° |
| C27 | C28 | C38 | C29 | 178.7° | 179.6° |
| C27 | C28 | C38 | N9 | 89.8° | 147.4° |
| C27 | C28 | C29 | C30 | 0.5° | 0.3° |
| C27 | C28 | C29 | H15 | 179.5° | 179.8° |
| C31 | N33 | N37 | C36 | 179.5° | 179.8° |
| N33 | C31 | C30 | C29 | 179.5° | 180.0° |
| N33 | C31 | C30 | H16 | 0.4° | 0.1° |
| C31 | N33 | C34 | H18 | 0.5° | 0.0° |
| N37 | N33 | C31 | C30 | 3.3° | 0.1° |
| N37 | N33 | C34 | H18 | 179.5° | 179.8° |
| N33 | N37 | C36 | H20 | 179.8° | 179.9° |
| N10 | C7 | C4 | C8 | 179.9° | 180.0° |
| N10 | C7 | C4 | C1 | 180.0° | 180.0° |
| C7 | N10 | C38 | C28 | 179.2° | 180.0° |
| C7 | N10 | C38 | N9 | 0.1° | 0.0° |
| N10 | C7 | C8 | N9 | 0.4° | 0.0° |
| N10 | C7 | C8 | C3 | 179.9° | 180.0° |
| N10 | C7 | C4 | H1 | 0.0° | 0.4° |
| C38 | N10 | C7 | C4 | 179.6° | 180.0° |
| C38 | N10 | C7 | C8 | 0.3° | 0.0° |
| N10 | C38 | C28 | N9 | 179.1° | 180.0° |
| N10 | C38 | C28 | C29 | 92.0° | 147.8° |
| N10 | C38 | N9 | C8 | 0.2° | 0.0° |
| N10 | C38 | N9 | C11 | 178.9° | 179.9° |
| C7 | C4 | C1 | H1 | 180.0° | 179.7° |
| C7 | C4 | C1 | F5 | 180.0° | 180.0° |
| C7 | C4 | C1 | C2 | 0.1° | 0.0° |
| C4 | C7 | C8 | N9 | 179.4° | 180.0° |
| C4 | C7 | C8 | C3 | 0.0° | 0.1° |
| C4 | C1 | F5 | C2 | 179.9° | 180.0° |
| C1 | C4 | C7 | C8 | 0.1° | 0.0° |
| C4 | C1 | C2 | C3 | 0.0° | 0.1° |
| C4 | C1 | C2 | F6 | 179.7° | 179.9° |
| N37 | C36 | C35 | H19 | 179.9° | 179.7° |
| C31 | C30 | C29 | C28 | 0.1° | 0.1° |
| C31 | C30 | C29 | H16 | 180.0° | 180.0° |
| C31 | C30 | C29 | H15 | 179.9° | 180.0° |
| F5 | C1 | C2 | C3 | 179.8° | 179.9° |
| F5 | C1 | C2 | F6 | 0.4° | 0.0° |
| F5 | C1 | C4 | H1 | 0.0° | 0.3° |
| C16 | N15 | C12 | H26 | 180.0° | 180.0° |
| C16 | N15 | C12 | C11 | 179.7° | 174.6° |
| C16 | N15 | C12 | O14 | 0.5° | 5.3° |
| N15 | C16 | C22 | H9 | 63.7° | 60.1° |
| N15 | C16 | C22 | H10 | 55.6° | 60.0° |
| N15 | C16 | C26 | H13 | 54.3° | 60.0° |
| N15 | C16 | C26 | H14 | 65.1° | 60.0° |
| C7 | C8 | N9 | C38 | 0.4° | 0.0° |
| C7 | C8 | N9 | C3 | 179.4° | 180.0° |
| C7 | C8 | N9 | C11 | 179.1° | 179.9° |
| C7 | C8 | C3 | C2 | 0.1° | 0.1° |
| C8 | C7 | C4 | H1 | 179.9° | 179.7° |
| C7 | C8 | C3 | H32 | 179.9° | 180.0° |
| C38 | C28 | C29 | C30 | 179.2° | 180.0° |
| C28 | C38 | N9 | C8 | 178.9° | 180.0° |
| C28 | C38 | N9 | C11 | 0.2° | 0.1° |
| C38 | C28 | C29 | H15 | 0.8° | 0.2° |
| C38 | C28 | C27 | H17 | 0.7° | 0.3° |
| C29 | C28 | C38 | N9 | 88.9° | 32.2° |
| C28 | C29 | C30 | H15 | 180.0° | 179.8° |
| C28 | C29 | C30 | H16 | 179.9° | 179.9° |
| C29 | C28 | C27 | H17 | 179.4° | 179.9° |
| C38 | N9 | C8 | C11 | 178.7° | 179.9° |
| C38 | N9 | C8 | C3 | 179.8° | 180.0° |
| C38 | N9 | C11 | C12 | 115.9° | 71.5° |
| C38 | N9 | C11 | C13 | 115.1° | 168.5° |
| C38 | N9 | C11 | H21 | 1.7° | 48.5° |
| C1 | C2 | C3 | C8 | 0.1° | 0.1° |
| C1 | C2 | C3 | F6 | 179.7° | 179.9° |
| C2 | C1 | C4 | H1 | 179.9° | 179.7° |
| C1 | C2 | C3 | H32 | 179.9° | 180.0° |
| N15 | C12 | C11 | N9 | 40.3° | 152.9° |
| N15 | C12 | C11 | O14 | 179.8° | 180.0° |
| N15 | C12 | C11 | C13 | 169.4° | 87.1° |
| N15 | C12 | C11 | H21 | 74.3° | 32.9° |
| C12 | N15 | C16 | H27 | 3.2° | 35.1° |
| N9 | C8 | C3 | C2 | 179.4° | 179.9° |
| C8 | N9 | C11 | C12 | 62.6° | 108.6° |
| C8 | N9 | C11 | C13 | 66.5° | 11.4° |
| C8 | N9 | C11 | H21 | 176.7° | 131.4° |
| N9 | C8 | C3 | H32 | 0.6° | 0.0° |
| C3 | C8 | N9 | C11 | 1.5° | 0.1° |
| C8 | C3 | C2 | H32 | 180.0° | 179.9° |
| C8 | C3 | C2 | F6 | 179.6° | 180.0° |
| N9 | C11 | C12 | C13 | 129.1° | 120.0° |
| N9 | C11 | C12 | H21 | 114.6° | 120.0° |
| N9 | C11 | C12 | O14 | 139.5° | 27.1° |
| N9 | C11 | C13 | H21 | 117.2° | 120.1° |
| N9 | C11 | C13 | C21 | 40.3° | 59.5° |
| N9 | C11 | C13 | C17 | 163.0° | 179.4° |
| N9 | C11 | C13 | H2 | 78.4° | 60.5° |
| F6 | C2 | C3 | H32 | 0.4° | 0.1° |
| C12 | C11 | C13 | H21 | 116.2° | 120.0° |
| C12 | C11 | C13 | C21 | 166.9° | 179.4° |
| C12 | C11 | C13 | C17 | 70.4° | 60.6° |
| C12 | C11 | C13 | H2 | 48.2° | 59.4° |
| C11 | C12 | N15 | H26 | 0.3° | 5.3° |
| O14 | C12 | C11 | C13 | 10.4° | 93.0° |
| O14 | C12 | C11 | H21 | 105.9° | 147.1° |
| O14 | C12 | N15 | H26 | 179.5° | 174.7° |
| C11 | C13 | C21 | C17 | 124.3° | 120.0° |
| C11 | C13 | C21 | H2 | 118.6° | 120.0° |
| C11 | C13 | C17 | H2 | 118.5° | 120.0° |
| C11 | C13 | C21 | C20 | 178.8° | 180.0° |
| C11 | C13 | C17 | C18 | 175.8° | 180.0° |
| C11 | C13 | C17 | H3 | 55.5° | 60.0° |
| C11 | C13 | C17 | H4 | 64.0° | 60.0° |
| C11 | C13 | C21 | H7 | 60.8° | 60.0° |
| C11 | C13 | C21 | H8 | 58.4° | 60.0° |
| C21 | C13 | C17 | H2 | 117.1° | 120.0° |
| C13 | C21 | C20 | H7 | 120.4° | 120.0° |
| C13 | C21 | C20 | H8 | 120.4° | 119.9° |
| C21 | C13 | C17 | C18 | 59.8° | 60.0° |
| C13 | C21 | C20 | C19 | 53.0° | 60.0° |
| C21 | C13 | C17 | H3 | 179.9° | 180.0° |
| C21 | C13 | C17 | H4 | 60.4° | 60.0° |
| C13 | C21 | C20 | H5 | 173.4° | 180.0° |
| C13 | C21 | C20 | H6 | 67.3° | 60.0° |
| C13 | C21 | H7 | H8 | 118.8° | 120.0° |
| C21 | C13 | C11 | H21 | 76.9° | 60.6° |
| C17 | C13 | C21 | C20 | 56.8° | 60.0° |
| C13 | C17 | C18 | H3 | 120.3° | 120.0° |
| C13 | C17 | C18 | H4 | 120.3° | 120.0° |
| C13 | C17 | C18 | C19 | 58.8° | 60.0° |
| C13 | C17 | H3 | H4 | 119.2° | 120.0° |
| C17 | C13 | C21 | H7 | 63.5° | 60.0° |
| C17 | C13 | C21 | H8 | 177.2° | 180.0° |
| C17 | C13 | C11 | H21 | 45.9° | 59.4° |
| C13 | C17 | C18 | H22 | 61.4° | 60.0° |
| C13 | C17 | C18 | H23 | 179.1° | 180.0° |
| C21 | C20 | C19 | H5 | 120.3° | 120.0° |
| C21 | C20 | C19 | H6 | 120.3° | 120.0° |
| C21 | C20 | C19 | C18 | 50.6° | 60.0° |
| C20 | C21 | C13 | H2 | 60.2° | 60.0° |
| C21 | C20 | H5 | H6 | 118.9° | 120.1° |
| C20 | C21 | H7 | H8 | 118.9° | 120.0° |
| C21 | C20 | C19 | H24 | 69.8° | 60.0° |
| C21 | C20 | C19 | H25 | 170.9° | 180.0° |
| C17 | C18 | C19 | C20 | 53.5° | 60.0° |
| C17 | C18 | C19 | H22 | 120.3° | 120.0° |
| C17 | C18 | C19 | H23 | 120.3° | 120.0° |
| C18 | C17 | C13 | H2 | 57.3° | 60.0° |
| C18 | C17 | H3 | H4 | 119.2° | 120.0° |
| C17 | C18 | H22 | H23 | 119.2° | 120.1° |
| C17 | C18 | C19 | H24 | 66.8° | 60.0° |
| C17 | C18 | C19 | H25 | 173.9° | 180.0° |
| C20 | C19 | C18 | H24 | 120.3° | 120.0° |
| C20 | C19 | C18 | H25 | 120.3° | 120.0° |
| C19 | C20 | H5 | H6 | 119.0° | 119.9° |
| C19 | C20 | C21 | H7 | 67.4° | 60.0° |
| C19 | C20 | C21 | H8 | 173.4° | 180.0° |
| C20 | C19 | C18 | H22 | 66.7° | 60.0° |
| C20 | C19 | C18 | H23 | 173.8° | 180.0° |
| C20 | C19 | H24 | H25 | 119.0° | 120.0° |
| C19 | C18 | C17 | H3 | 179.1° | 180.0° |
| C19 | C18 | C17 | H4 | 61.4° | 60.0° |
| C18 | C19 | C20 | H5 | 170.9° | 180.0° |
| C18 | C19 | C20 | H6 | 69.8° | 60.0° |
| C19 | C18 | H22 | H23 | 119.1° | 120.0° |
| C18 | C19 | H24 | H25 | 119.0° | 120.0° |
| H2 | C13 | C17 | H3 | 63.0° | 60.0° |
| H2 | C13 | C17 | H4 | 177.5° | 180.0° |
| H2 | C13 | C21 | H7 | 179.4° | 180.0° |
| H2 | C13 | C21 | H8 | 60.2° | 60.0° |
| H2 | C13 | C11 | H21 | 164.5° | 179.4° |
| H3 | C17 | C18 | H22 | 58.9° | 60.0° |
| H3 | C17 | C18 | H23 | 60.6° | 60.1° |
| H4 | C17 | C18 | H22 | 178.3° | 180.0° |
| H4 | C17 | C18 | H23 | 58.9° | 59.9° |
| H5 | C20 | C21 | H7 | 53.0° | 60.0° |
| H5 | C20 | C21 | H8 | 66.3° | 60.1° |
| H5 | C20 | C19 | H24 | 50.5° | 60.0° |
| H5 | C20 | C19 | H25 | 68.8° | 60.0° |
| H6 | C20 | C21 | H7 | 172.3° | 180.0° |
| H6 | C20 | C21 | H8 | 53.0° | 60.0° |
| H6 | C20 | C19 | H24 | 169.9° | 180.0° |
| H6 | C20 | C19 | H25 | 50.6° | 60.0° |
| H9 | C22 | C16 | H27 | 55.4° | NaN° |
| H9 | C22 | C23 | H28 | 56.0° | 60.0° |
| H9 | C22 | C23 | H29 | 63.4° | 180.0° |
| H10 | C22 | C16 | H27 | 174.7° | 60.0° |
| H10 | C22 | C23 | H28 | 175.3° | 60.0° |
| H10 | C22 | C23 | H29 | 55.9° | 60.0° |
| H11 | C24 | C23 | H28 | 56.5° | 59.9° |
| H11 | C24 | C23 | H29 | 62.8° | 179.9° |
| H11 | C24 | C25 | H30 | 63.7° | 60.0° |
| H11 | C24 | C25 | H31 | 55.8° | 180.0° |
| H12 | C24 | C23 | H28 | 176.1° | 60.0° |
| H12 | C24 | C23 | H29 | 56.7° | 60.0° |
| H12 | C24 | C25 | H30 | 55.9° | 60.0° |
| H12 | C24 | C25 | H31 | 175.4° | 60.0° |
| H13 | C26 | C16 | H27 | 174.1° | 60.0° |
| H13 | C26 | C25 | H30 | 54.5° | 60.0° |
| H13 | C26 | C25 | H31 | 174.1° | 60.0° |
| H14 | C26 | C16 | H27 | 54.7° | 180.0° |
| H14 | C26 | C25 | H30 | 64.9° | 60.0° |
| H14 | C26 | C25 | H31 | 54.6° | NaN° |
| H15 | C29 | C30 | H16 | 0.1° | 0.1° |
| H18 | C34 | C35 | H19 | 0.3° | 0.0° |
| H19 | C35 | C36 | H20 | 0.1° | 0.1° |
| H22 | C18 | C19 | H24 | 172.9° | 180.0° |
| H22 | C18 | C19 | H25 | 53.6° | 60.0° |
| H23 | C18 | C19 | H24 | 53.5° | 60.0° |
| H23 | C18 | C19 | H25 | 65.8° | 60.0° |
| H26 | N15 | C16 | H27 | 176.8° | 145.0° |
