3CI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C6 | sing | 1.40Å | 1.47Å | |
| N5 | C3 | sing | 1.35Å | 1.50Å | |
| N35 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
| N35 | C9 | doub | 1.33Å | 1.40Å | Aromatic |
| O4 | C3 | doub | 1.21Å | 1.19Å | |
| C6 | N7 | doub | 1.32Å | 1.28Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.40Å | 1.46Å | Aromatic |
| C9 | N8 | sing | 1.37Å | 1.31Å | Aromatic |
| C32 | C25 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | N24 | sing | 1.46Å | 1.44Å | |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.35Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| O23 | C22 | doub | 1.22Å | 1.19Å | |
| N8 | C13 | sing | 1.36Å | 1.32Å | Aromatic |
| C2 | C36 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| N24 | C22 | sing | 1.35Å | 1.44Å | |
| C11 | C14 | sing | 1.48Å | 1.39Å | |
| C11 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.47Å | 1.52Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C33 | sing | 1.47Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C17 | doub | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| C20 | N18 | sing | 1.36Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | N18 | sing | 1.38Å | 1.35Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| N24 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N5 | C3 | 122.9° | 120.0° |
| N5 | C6 | N35 | 137.6° | 125.2° |
| N5 | C6 | N7 | 114.1° | 125.3° |
| C6 | N5 | H27 | 118.5° | 120.0° |
| N5 | C3 | O4 | 119.0° | 120.0° |
| N5 | C3 | C2 | 126.9° | 120.0° |
| C3 | N5 | H27 | 118.5° | 120.0° |
| C6 | N35 | C9 | 107.5° | 109.6° |
| N35 | C6 | N7 | 108.3° | 109.5° |
| N35 | C9 | C10 | 138.9° | 132.6° |
| N35 | C9 | N8 | 104.5° | 107.6° |
| O4 | C3 | C2 | 114.1° | 120.0° |
| C6 | N7 | N8 | 108.6° | 107.1° |
| C3 | C2 | C36 | 115.1° | 109.5° |
| C3 | C2 | C1 | 112.3° | 109.5° |
| C3 | C2 | H9 | 106.0° | 109.5° |
| C10 | C9 | N8 | 116.6° | 119.8° |
| C9 | C10 | C11 | 114.9° | 119.1° |
| C9 | C10 | H1 | 122.5° | 120.5° |
| C9 | N8 | N7 | 111.0° | 106.2° |
| C9 | N8 | C13 | 129.3° | 121.0° |
| C32 | C25 | C26 | 110.6° | 109.5° |
| C32 | C25 | N24 | 110.3° | 109.5° |
| C32 | C25 | H15 | 109.4° | 109.5° |
| C25 | C32 | H20 | 109.5° | 109.5° |
| C25 | C32 | H21 | 109.4° | 109.5° |
| C25 | C32 | H22 | 109.5° | 109.5° |
| C30 | C31 | C26 | 119.7° | 120.0° |
| C31 | C30 | C29 | 120.4° | 120.0° |
| C31 | C30 | H18 | 119.8° | 120.0° |
| C30 | C31 | H19 | 120.1° | 120.0° |
| C31 | C26 | C25 | 119.2° | 120.0° |
| C31 | C26 | C27 | 120.6° | 119.9° |
| C26 | C31 | H19 | 120.2° | 120.0° |
| C10 | C11 | C14 | 135.6° | 120.4° |
| C10 | C11 | C12 | 121.5° | 119.2° |
| C11 | C10 | H1 | 122.6° | 120.5° |
| C26 | C25 | N24 | 106.3° | 109.5° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | H15 | 109.5° | 109.5° |
| C25 | N24 | C22 | 118.8° | 120.1° |
| N24 | C25 | H15 | 110.7° | 109.4° |
| C25 | N24 | H28 | 120.6° | 120.0° |
| C30 | C29 | C28 | 119.7° | 120.0° |
| C30 | C29 | H17 | 120.2° | 120.0° |
| C29 | C30 | H18 | 119.8° | 120.0° |
| N7 | N8 | C13 | 119.7° | 132.8° |
| C26 | C27 | C28 | 119.2° | 120.0° |
| C26 | C27 | H16 | 120.4° | 119.9° |
| O23 | C22 | N24 | 120.7° | 120.0° |
| O23 | C22 | C21 | 121.3° | 120.0° |
| N8 | C13 | C12 | 117.0° | 120.8° |
| N8 | C13 | H2 | 121.5° | 119.6° |
| C36 | C2 | C1 | 110.5° | 109.5° |
| C36 | C2 | H9 | 106.1° | 109.4° |
| C2 | C36 | H24 | 109.5° | 109.5° |
| C2 | C36 | H25 | 109.5° | 109.4° |
| C2 | C36 | H26 | 109.5° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 106.2° | 109.4° |
| C29 | C28 | C27 | 120.6° | 120.0° |
| C29 | C28 | H5 | 119.7° | 120.0° |
| C28 | C29 | H17 | 120.2° | 120.0° |
| N24 | C22 | C21 | 118.0° | 120.0° |
| C22 | N24 | H28 | 120.6° | 120.0° |
| C14 | C11 | C12 | 102.7° | 120.4° |
| C11 | C14 | C34 | 128.6° | 120.0° |
| C11 | C14 | C15 | 111.5° | 120.0° |
| C11 | C12 | C13 | 120.6° | 120.1° |
| C11 | C12 | H10 | 119.7° | 120.0° |
| C22 | C21 | C33 | 124.8° | 126.8° |
| C22 | C21 | C20 | 127.9° | 126.7° |
| C27 | C28 | H5 | 119.7° | 120.0° |
| C28 | C27 | H16 | 120.4° | 120.0° |
| C14 | C34 | C33 | 116.8° | 119.4° |
| C34 | C14 | C15 | 119.9° | 120.0° |
| C14 | C34 | H23 | 121.6° | 120.3° |
| C34 | C33 | C21 | 132.6° | 133.9° |
| C34 | C33 | C17 | 122.2° | 120.2° |
| C33 | C34 | H23 | 121.6° | 120.3° |
| C12 | C13 | H2 | 121.5° | 119.6° |
| C13 | C12 | H10 | 119.7° | 119.9° |
| C14 | C15 | C16 | 123.5° | 120.6° |
| C14 | C15 | H3 | 118.3° | 119.7° |
| C33 | C21 | C20 | 107.3° | 106.4° |
| C21 | C33 | C17 | 105.2° | 105.9° |
| C21 | C20 | N18 | 108.1° | 109.8° |
| C21 | C20 | H4 | 126.0° | 125.1° |
| C33 | C17 | C16 | 120.9° | 119.5° |
| C33 | C17 | N18 | 109.2° | 107.4° |
| C15 | C16 | C17 | 116.8° | 120.3° |
| C16 | C15 | H3 | 118.3° | 119.7° |
| C15 | C16 | H11 | 121.6° | 119.8° |
| C20 | N18 | C17 | 110.1° | 110.5° |
| C20 | N18 | C19 | 127.0° | 124.8° |
| N18 | C20 | H4 | 125.9° | 125.1° |
| C16 | C17 | N18 | 129.9° | 133.1° |
| C17 | C16 | H11 | 121.6° | 119.9° |
| C17 | N18 | C19 | 122.9° | 124.7° |
| N18 | C19 | H12 | 109.5° | 109.5° |
| N18 | C19 | H13 | 109.4° | 109.5° |
| N18 | C19 | H14 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.4° | 109.5° |
| H20 | C32 | H22 | 109.5° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.4° | 109.5° |
| H24 | C36 | H26 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N5 | C3 | H27 | 180.0° | 180.0° |
| N5 | C6 | N35 | N7 | 178.1° | 180.0° |
| N5 | C6 | N35 | C9 | 179.5° | 180.0° |
| C6 | N5 | C3 | O4 | 179.0° | 0.1° |
| C6 | N5 | C3 | C2 | 1.4° | 180.0° |
| N5 | C6 | N7 | N8 | 179.6° | 180.0° |
| C3 | N5 | C6 | N35 | 156.6° | 180.0° |
| N5 | C3 | O4 | C2 | 179.7° | 179.9° |
| C3 | N5 | C6 | N7 | 25.3° | 0.0° |
| N5 | C3 | C2 | C36 | 84.0° | 180.0° |
| N5 | C3 | C2 | C1 | 148.4° | 59.9° |
| N5 | C3 | C2 | H9 | 32.9° | 60.0° |
| C6 | N35 | C9 | C10 | 179.3° | 180.0° |
| C6 | N35 | C9 | N8 | 0.4° | 0.0° |
| N35 | C6 | N7 | N8 | 1.8° | 0.0° |
| N35 | C6 | N5 | H27 | 23.4° | 0.0° |
| C9 | N35 | C6 | N7 | 1.4° | 0.0° |
| N35 | C9 | C10 | N8 | 179.6° | 180.0° |
| N35 | C9 | C10 | C11 | 179.2° | 180.0° |
| N35 | C9 | N8 | N7 | 0.7° | 0.0° |
| N35 | C9 | N8 | C13 | 179.8° | 179.5° |
| N35 | C9 | C10 | H1 | 0.8° | 0.3° |
| O4 | C3 | C2 | C36 | 95.6° | 0.1° |
| O4 | C3 | C2 | C1 | 32.0° | 120.0° |
| O4 | C3 | C2 | H9 | 147.5° | 120.0° |
| O4 | C3 | N5 | H27 | 1.0° | 180.0° |
| C6 | N7 | N8 | C9 | 1.6° | 0.0° |
| C6 | N7 | N8 | C13 | 179.2° | 179.4° |
| N7 | C6 | N5 | H27 | 154.7° | 180.0° |
| C3 | C2 | C36 | C1 | 128.5° | 120.1° |
| C3 | C2 | C36 | H9 | 116.8° | 120.0° |
| C3 | C2 | C1 | H9 | 115.4° | 120.0° |
| C3 | C2 | C1 | H6 | 180.0° | 60.0° |
| C3 | C2 | C1 | H7 | 60.0° | 180.0° |
| C3 | C2 | C1 | H8 | 60.0° | 60.0° |
| C3 | C2 | C36 | H24 | 180.0° | 180.0° |
| C3 | C2 | C36 | H25 | 60.0° | 60.0° |
| C3 | C2 | C36 | H26 | 60.0° | 60.0° |
| C2 | C3 | N5 | H27 | 178.6° | 0.0° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C9 | N8 | N7 | 179.6° | 180.0° |
| C10 | C9 | N8 | C13 | 0.5° | 0.5° |
| C9 | C10 | C11 | C14 | 176.9° | 179.7° |
| C9 | C10 | C11 | C12 | 1.9° | 0.2° |
| N8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C9 | N8 | N7 | C13 | 179.2° | 179.4° |
| C9 | N8 | C13 | C12 | 0.4° | 0.8° |
| N8 | C9 | C10 | H1 | 178.8° | 179.7° |
| C9 | N8 | C13 | H2 | 179.5° | 179.7° |
| C32 | C25 | C26 | C31 | 124.5° | 79.7° |
| C32 | C25 | C26 | N24 | 119.8° | 120.0° |
| C32 | C25 | C26 | H15 | 120.6° | 120.0° |
| C32 | C25 | N24 | H15 | 121.3° | 120.0° |
| C32 | C25 | C26 | C27 | 54.3° | 100.0° |
| C32 | C25 | N24 | C22 | 157.1° | 85.0° |
| C25 | C32 | H20 | H21 | 120.0° | 120.0° |
| C25 | C32 | H20 | H22 | 120.0° | 119.9° |
| C25 | C32 | H21 | H22 | 120.0° | 120.0° |
| C32 | C25 | N24 | H28 | 22.9° | 95.0° |
| C30 | C31 | C26 | H19 | 180.0° | 180.0° |
| C30 | C31 | C26 | C25 | 179.3° | 179.7° |
| C31 | C30 | C29 | H18 | 180.0° | 179.1° |
| C30 | C31 | C26 | C27 | 0.5° | 0.0° |
| C31 | C30 | C29 | C28 | 0.1° | 0.8° |
| C31 | C30 | C29 | H17 | 179.9° | 179.7° |
| C31 | C26 | C25 | C27 | 178.8° | 179.7° |
| C31 | C26 | C25 | N24 | 115.7° | 40.3° |
| C26 | C31 | C30 | C29 | 0.5° | 0.6° |
| C31 | C26 | C27 | C28 | 0.0° | 0.3° |
| C31 | C26 | C25 | H15 | 3.9° | 160.3° |
| C31 | C26 | C27 | H16 | 180.0° | 179.7° |
| C26 | C31 | C30 | H18 | 179.5° | 179.7° |
| C10 | C11 | C14 | C12 | 175.6° | 179.9° |
| C10 | C11 | C14 | C34 | 45.8° | 115.0° |
| C10 | C11 | C12 | C13 | 2.0° | 0.0° |
| C10 | C11 | C14 | C15 | 137.2° | 65.0° |
| C10 | C11 | C12 | H10 | 178.0° | 179.4° |
| C26 | C25 | N24 | H15 | 118.8° | 120.0° |
| C26 | C25 | N24 | C22 | 82.9° | 154.9° |
| C25 | C26 | C27 | C28 | 178.8° | 180.0° |
| C25 | C26 | C27 | H16 | 1.2° | 0.0° |
| C25 | C26 | C31 | H19 | 0.7° | 0.3° |
| C26 | C25 | C32 | H20 | 180.0° | 60.0° |
| C26 | C25 | C32 | H21 | 60.0° | 60.0° |
| C26 | C25 | C32 | H22 | 60.0° | 180.0° |
| C26 | C25 | N24 | H28 | 97.1° | 25.0° |
| N24 | C25 | C26 | C27 | 65.5° | 140.0° |
| C25 | N24 | C22 | O23 | 0.5° | 0.1° |
| C25 | N24 | C22 | H28 | 180.0° | 180.0° |
| C25 | N24 | C22 | C21 | 178.8° | 180.0° |
| N24 | C25 | C32 | H20 | 62.6° | 60.0° |
| N24 | C25 | C32 | H21 | 57.3° | 180.0° |
| N24 | C25 | C32 | H22 | 177.3° | 60.0° |
| C30 | C29 | C28 | H17 | 180.0° | 179.5° |
| C30 | C29 | C28 | C27 | 0.4° | 0.6° |
| C30 | C29 | C28 | H5 | 179.6° | 179.5° |
| C29 | C30 | C31 | H19 | 179.5° | 179.5° |
| N7 | N8 | C13 | C12 | 179.5° | 179.9° |
| N7 | N8 | C13 | H2 | 0.5° | 0.4° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C26 | C27 | C28 | H5 | 179.6° | 180.0° |
| C27 | C26 | C25 | H15 | 174.9° | 20.0° |
| C27 | C26 | C31 | H19 | 179.5° | 180.0° |
| O23 | C22 | N24 | C21 | 179.3° | 179.9° |
| O23 | C22 | C21 | C33 | 27.7° | 0.1° |
| O23 | C22 | C21 | C20 | 149.4° | 179.8° |
| O23 | C22 | N24 | H28 | 179.5° | 180.0° |
| N8 | C13 | C12 | C11 | 1.1° | 0.5° |
| N8 | C13 | C12 | H2 | 180.0° | 179.5° |
| N8 | C13 | C12 | H10 | 178.8° | 180.0° |
| C36 | C2 | C1 | H9 | 114.6° | 119.9° |
| C36 | C2 | C1 | H6 | 50.0° | 180.0° |
| C36 | C2 | C1 | H7 | 70.0° | 60.0° |
| C36 | C2 | C1 | H8 | 170.0° | 60.1° |
| C2 | C36 | H24 | H25 | 120.0° | 120.0° |
| C2 | C36 | H24 | H26 | 120.0° | 120.0° |
| C2 | C36 | H25 | H26 | 120.0° | 119.9° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 119.9° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C36 | H24 | 51.5° | 60.0° |
| C1 | C2 | C36 | H25 | 171.5° | 180.0° |
| C1 | C2 | C36 | H26 | 68.5° | 60.1° |
| C29 | C28 | C27 | H5 | 180.0° | 180.0° |
| C29 | C28 | C27 | H16 | 179.6° | 180.0° |
| C28 | C29 | C30 | H18 | 180.0° | 180.0° |
| N24 | C22 | C21 | C33 | 153.0° | 180.0° |
| N24 | C22 | C21 | C20 | 30.0° | 0.1° |
| C22 | N24 | C25 | H15 | 35.9° | 34.9° |
| C11 | C14 | C34 | C15 | 176.8° | 180.0° |
| C11 | C14 | C34 | C33 | 178.7° | 180.0° |
| C14 | C11 | C12 | C13 | 178.4° | 180.0° |
| C11 | C14 | C15 | C16 | 178.8° | 180.0° |
| C14 | C11 | C10 | H1 | 3.1° | 0.0° |
| C11 | C14 | C15 | H3 | 1.2° | 0.3° |
| C14 | C11 | C12 | H10 | 1.6° | 0.6° |
| C11 | C14 | C34 | H23 | 1.3° | 0.0° |
| C12 | C11 | C14 | C34 | 138.7° | 64.9° |
| C11 | C12 | C13 | H10 | 180.0° | 179.4° |
| C12 | C11 | C14 | C15 | 38.3° | 115.0° |
| C12 | C11 | C10 | H1 | 178.0° | 180.0° |
| C11 | C12 | C13 | H2 | 178.8° | 180.0° |
| C22 | C21 | C33 | C34 | 2.4° | 0.5° |
| C22 | C21 | C33 | C20 | 177.6° | 179.9° |
| C22 | C21 | C33 | C17 | 178.7° | 179.9° |
| C22 | C21 | C20 | N18 | 178.5° | 179.8° |
| C22 | C21 | C20 | H4 | 1.5° | 0.2° |
| C21 | C22 | N24 | H28 | 1.2° | 0.1° |
| C27 | C28 | C29 | H17 | 179.6° | 180.0° |
| C14 | C34 | C33 | H23 | 180.0° | 180.0° |
| C14 | C34 | C33 | C21 | 177.5° | 179.6° |
| C14 | C34 | C33 | C17 | 1.2° | 0.3° |
| C34 | C14 | C15 | C16 | 1.5° | 0.0° |
| C34 | C14 | C15 | H3 | 178.5° | 179.8° |
| C33 | C34 | C14 | C15 | 1.9° | 0.0° |
| C34 | C33 | C21 | C17 | 178.9° | 179.4° |
| C34 | C33 | C21 | C20 | 180.0° | 179.5° |
| C34 | C33 | C17 | C16 | 0.1° | 0.5° |
| C34 | C33 | C17 | N18 | 179.8° | 179.9° |
| C14 | C15 | C16 | H3 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C14 | C15 | C16 | H11 | 179.9° | 179.7° |
| C15 | C14 | C34 | H23 | 178.1° | 180.0° |
| C33 | C21 | C20 | N18 | 1.0° | 0.2° |
| C21 | C33 | C17 | C16 | 179.2° | 180.0° |
| C21 | C33 | C17 | N18 | 0.8° | 0.4° |
| C33 | C21 | C20 | H4 | 179.0° | 179.7° |
| C21 | C33 | C34 | H23 | 2.5° | 0.4° |
| C20 | C21 | C33 | C17 | 1.1° | 0.1° |
| C21 | C20 | N18 | H4 | 180.0° | 179.5° |
| C21 | C20 | N18 | C17 | 0.5° | 0.4° |
| C21 | C20 | N18 | C19 | 180.0° | 179.6° |
| C33 | C17 | C16 | C15 | 0.7° | 0.5° |
| C33 | C17 | N18 | C20 | 0.2° | 0.5° |
| C33 | C17 | C16 | N18 | 180.0° | 179.6° |
| C33 | C17 | N18 | C19 | 179.3° | 179.6° |
| C33 | C17 | C16 | H11 | 179.3° | 179.4° |
| C17 | C33 | C34 | H23 | 178.8° | 179.8° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | N18 | 179.3° | 180.0° |
| C20 | N18 | C17 | C16 | 179.8° | 179.9° |
| C20 | N18 | C17 | C19 | 179.5° | 180.0° |
| C20 | N18 | C19 | H12 | 180.0° | 90.0° |
| C20 | N18 | C19 | H13 | 60.0° | 30.0° |
| C20 | N18 | C19 | H14 | 60.0° | 150.0° |
| C16 | C17 | N18 | C19 | 0.7° | 0.1° |
| C17 | C16 | C15 | H3 | 179.9° | 180.0° |
| C17 | N18 | C20 | H4 | 179.5° | 179.9° |
| N18 | C17 | C16 | H11 | 0.7° | 0.1° |
| C17 | N18 | C19 | H12 | 0.6° | 90.0° |
| C17 | N18 | C19 | H13 | 119.4° | 150.0° |
| C17 | N18 | C19 | H14 | 120.6° | 30.0° |
| C19 | N18 | C20 | H4 | 0.0° | 0.1° |
| N18 | C19 | H12 | H13 | 120.0° | 120.0° |
| N18 | C19 | H12 | H14 | 120.0° | 120.0° |
| N18 | C19 | H13 | H14 | 120.0° | 120.0° |
| H2 | C13 | C12 | H10 | 1.2° | 0.5° |
| H3 | C15 | C16 | H11 | 0.1° | 0.1° |
| H5 | C28 | C27 | H16 | 0.4° | 0.0° |
| H5 | C28 | C29 | H17 | 0.4° | 0.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H6 | C1 | C2 | H9 | 64.6° | 60.0° |
| H7 | C1 | C2 | H9 | 175.3° | 60.0° |
| H8 | C1 | C2 | H9 | 55.4° | 180.0° |
| H9 | C2 | C36 | H24 | 63.2° | 60.0° |
| H9 | C2 | C36 | H25 | 56.8° | 60.0° |
| H9 | C2 | C36 | H26 | 176.8° | 180.0° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H15 | C25 | C32 | H20 | 59.4° | 179.9° |
| H15 | C25 | C32 | H21 | 179.3° | 60.0° |
| H15 | C25 | C32 | H22 | 60.7° | 60.0° |
| H15 | C25 | N24 | H28 | 144.1° | 145.0° |
| H17 | C29 | C30 | H18 | 0.0° | 0.5° |
| H18 | C30 | C31 | H19 | 0.5° | 0.3° |
| H20 | C32 | H21 | H22 | 120.0° | 120.0° |
| H24 | C36 | H25 | H26 | 120.0° | 120.0° |
