XMI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O2 | doub | 1.42Å | 1.55Å | |
| S1 | N6 | sing | 1.65Å | 1.75Å | |
| S1 | O10 | doub | 1.42Å | 1.54Å | |
| S1 | C25 | sing | 1.76Å | 1.74Å | |
| C3 | O4 | doub | 1.21Å | 1.24Å | |
| C3 | C5 | sing | 1.50Å | 1.58Å | |
| C3 | N9 | sing | 1.33Å | 1.44Å | |
| C5 | N6 | sing | 1.47Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| N6 | C8 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | N9 | sing | 1.46Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N9 | C11 | sing | 1.47Å | 1.51Å | |
| C11 | C19 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C15 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | N21 | sing | 1.32Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N13 | C14 | sing | 1.39Å | 1.50Å | |
| N13 | C16 | sing | 1.47Å | 1.54Å | |
| N13 | C18 | sing | 1.47Å | 1.55Å | |
| C14 | C15 | sing | 1.39Å | 1.48Å | Aromatic |
| C14 | C17 | doub | 1.39Å | 1.48Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C20 | sing | 1.53Å | 1.56Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C22 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C23 | sing | 1.53Å | 1.57Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | C23 | sing | 1.53Å | 1.58Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N21 | C22 | doub | 1.32Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.36Å | 1.46Å | Aromatic |
| C24 | C29 | doub | 1.41Å | 1.46Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C28 | doub | 1.39Å | 1.48Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.48Å | Aromatic |
| C26 | C29 | sing | 1.42Å | 1.54Å | Aromatic |
| C26 | C32 | sing | 1.40Å | 1.46Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | sing | 1.41Å | 1.48Å | Aromatic |
| CL30 | C34 | sing | 1.74Å | 1.75Å | |
| C31 | C33 | doub | 1.36Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | doub | 1.36Å | 1.44Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.39Å | 1.48Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | N6 | 108.4° | 105.8° |
| O2 | S1 | O10 | 108.5° | 125.3° |
| O2 | S1 | C25 | 110.6° | 105.8° |
| N6 | S1 | O10 | 108.6° | 105.8° |
| N6 | S1 | C25 | 109.2° | 107.4° |
| S1 | N6 | C5 | 117.1° | 121.4° |
| S1 | N6 | C8 | 119.2° | 121.3° |
| O10 | S1 | C25 | 111.4° | 105.8° |
| S1 | C25 | C24 | 120.4° | 119.5° |
| S1 | C25 | C28 | 120.8° | 119.5° |
| O4 | C3 | C5 | 117.6° | 118.5° |
| O4 | C3 | N9 | 123.7° | 118.5° |
| C5 | C3 | N9 | 117.6° | 123.0° |
| C3 | C5 | N6 | 119.0° | 109.1° |
| C3 | C5 | H51 | 104.2° | 109.5° |
| C3 | C5 | H52 | 106.5° | 109.5° |
| C3 | N9 | C7 | 121.0° | 124.6° |
| C3 | N9 | C11 | 119.7° | 117.7° |
| N6 | C5 | H51 | 104.2° | 109.7° |
| N6 | C5 | H52 | 106.4° | 109.3° |
| C5 | N6 | C8 | 114.4° | 117.3° |
| H51 | C5 | H52 | 117.2° | 109.6° |
| N6 | C8 | C7 | 112.7° | 108.2° |
| N6 | C8 | H81 | 107.7° | 109.7° |
| N6 | C8 | H82 | 108.4° | 109.8° |
| C8 | C7 | N9 | 114.2° | 110.8° |
| C8 | C7 | H71 | 106.9° | 109.2° |
| C8 | C7 | H72 | 107.9° | 109.2° |
| C7 | C8 | H81 | 107.7° | 109.7° |
| C7 | C8 | H82 | 108.4° | 109.7° |
| N9 | C7 | H71 | 106.9° | 109.2° |
| N9 | C7 | H72 | 107.9° | 109.2° |
| C7 | N9 | C11 | 119.3° | 117.7° |
| H71 | C7 | H72 | 113.2° | 109.2° |
| H81 | C8 | H82 | 112.0° | 109.7° |
| N9 | C11 | C19 | 120.6° | 109.4° |
| N9 | C11 | H111 | 103.3° | 109.5° |
| N9 | C11 | H112 | 105.9° | 109.5° |
| C19 | C11 | H111 | 103.3° | 109.5° |
| C19 | C11 | H112 | 105.9° | 109.5° |
| C11 | C19 | C20 | 114.6° | 109.6° |
| C11 | C19 | C23 | 110.7° | 109.6° |
| C11 | C19 | H19 | 105.3° | 109.6° |
| H111 | C11 | H112 | 118.7° | 109.5° |
| C15 | C12 | N21 | 122.7° | 120.8° |
| C15 | C12 | H12 | 118.6° | 119.6° |
| C12 | C15 | C14 | 119.4° | 119.1° |
| C12 | C15 | H15 | 120.3° | 120.4° |
| N21 | C12 | H12 | 118.6° | 119.6° |
| C12 | N21 | C22 | 119.5° | 121.9° |
| C14 | N13 | C16 | 120.6° | 106.7° |
| C14 | N13 | C18 | 121.2° | 106.8° |
| N13 | C14 | C15 | 121.9° | 120.8° |
| N13 | C14 | C17 | 121.8° | 120.9° |
| C16 | N13 | C18 | 117.9° | 107.2° |
| N13 | C16 | C20 | 118.0° | 109.8° |
| N13 | C16 | H161 | 104.8° | 109.4° |
| N13 | C16 | H162 | 106.8° | 109.4° |
| N13 | C18 | C23 | 118.0° | 109.8° |
| N13 | C18 | H181 | 104.7° | 109.5° |
| N13 | C18 | H182 | 106.7° | 109.3° |
| C15 | C14 | C17 | 116.3° | 118.3° |
| C14 | C15 | H15 | 120.3° | 120.5° |
| C14 | C17 | C22 | 119.5° | 119.1° |
| C14 | C17 | H17 | 120.3° | 120.5° |
| C20 | C16 | H161 | 104.8° | 109.4° |
| C20 | C16 | H162 | 106.7° | 109.5° |
| C16 | C20 | C19 | 112.9° | 109.2° |
| C16 | C20 | H201 | 107.5° | 109.6° |
| C16 | C20 | H202 | 108.4° | 109.5° |
| H161 | C16 | H162 | 116.4° | 109.3° |
| C22 | C17 | H17 | 120.3° | 120.5° |
| C17 | C22 | N21 | 122.6° | 120.8° |
| C17 | C22 | H22 | 118.7° | 119.6° |
| C23 | C18 | H181 | 104.7° | 109.5° |
| C23 | C18 | H182 | 106.7° | 109.4° |
| C18 | C23 | C19 | 114.5° | 109.2° |
| C18 | C23 | H231 | 106.7° | 109.6° |
| C18 | C23 | H232 | 107.8° | 109.6° |
| H181 | C18 | H182 | 116.5° | 109.4° |
| C20 | C19 | C23 | 110.3° | 108.9° |
| C20 | C19 | H19 | 105.7° | 109.6° |
| C19 | C20 | H201 | 107.6° | 109.5° |
| C19 | C20 | H202 | 108.3° | 109.5° |
| C23 | C19 | H19 | 110.0° | 109.7° |
| C19 | C23 | H231 | 106.7° | 109.5° |
| C19 | C23 | H232 | 107.9° | 109.4° |
| H201 | C20 | H202 | 112.2° | 109.5° |
| N21 | C22 | H22 | 118.7° | 119.6° |
| H231 | C23 | H232 | 113.5° | 109.6° |
| C25 | C24 | C29 | 121.7° | 119.6° |
| C25 | C24 | H24 | 119.1° | 120.2° |
| C24 | C25 | C28 | 118.7° | 121.0° |
| C29 | C24 | H24 | 119.1° | 120.2° |
| C24 | C29 | C26 | 118.6° | 119.4° |
| C24 | C29 | C31 | 122.9° | 121.2° |
| C25 | C28 | C27 | 122.1° | 121.0° |
| C25 | C28 | H28 | 119.0° | 119.5° |
| C27 | C26 | C29 | 118.6° | 119.3° |
| C27 | C26 | C32 | 122.8° | 121.3° |
| C26 | C27 | C28 | 120.2° | 119.7° |
| C26 | C27 | H27 | 119.9° | 120.2° |
| C29 | C26 | C32 | 118.6° | 119.4° |
| C26 | C29 | C31 | 118.5° | 119.4° |
| C26 | C32 | C34 | 121.5° | 119.7° |
| C26 | C32 | H32 | 119.3° | 120.2° |
| C28 | C27 | H27 | 119.9° | 120.2° |
| C27 | C28 | H28 | 118.9° | 119.5° |
| C29 | C31 | C33 | 120.1° | 119.6° |
| C29 | C31 | H31 | 119.9° | 120.1° |
| CL30 | C34 | C32 | 119.9° | 119.5° |
| CL30 | C34 | C33 | 120.6° | 119.6° |
| C33 | C31 | H31 | 120.0° | 120.2° |
| C31 | C33 | C34 | 121.8° | 121.0° |
| C31 | C33 | H33 | 119.1° | 119.5° |
| C34 | C32 | H32 | 119.2° | 120.1° |
| C32 | C34 | C33 | 119.5° | 120.9° |
| C34 | C33 | H33 | 119.1° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | N6 | O10 | 117.7° | 134.7° |
| O2 | S1 | N6 | C25 | 120.6° | 112.6° |
| O2 | S1 | O10 | C25 | 122.0° | 123.1° |
| O2 | S1 | N6 | C5 | 35.5° | 157.1° |
| O2 | S1 | N6 | C8 | 179.6° | 22.6° |
| O2 | S1 | C25 | C24 | 37.2° | 157.4° |
| O2 | S1 | C25 | C28 | 144.1° | 22.6° |
| N6 | S1 | O10 | C25 | 120.4° | 113.8° |
| S1 | N6 | C5 | C3 | 179.6° | 137.3° |
| S1 | N6 | C5 | C8 | 146.5° | 179.7° |
| S1 | N6 | C5 | H51 | 64.2° | 17.3° |
| S1 | N6 | C5 | H52 | 60.3° | 102.9° |
| S1 | N6 | C8 | C7 | 164.5° | 118.5° |
| S1 | N6 | C8 | H81 | 76.8° | 121.8° |
| S1 | N6 | C8 | H82 | 44.6° | 1.2° |
| N6 | S1 | C25 | C24 | 82.1° | 89.9° |
| N6 | S1 | C25 | C28 | 96.6° | 90.0° |
| O10 | S1 | N6 | C5 | 153.2° | 22.4° |
| O10 | S1 | N6 | C8 | 62.0° | 157.4° |
| O10 | S1 | C25 | C24 | 157.9° | 22.7° |
| O10 | S1 | C25 | C28 | 23.4° | 157.4° |
| C25 | S1 | N6 | C5 | 85.1° | 90.3° |
| C25 | S1 | N6 | C8 | 59.7° | 90.0° |
| S1 | C25 | C24 | C28 | 178.7° | 179.9° |
| S1 | C25 | C24 | C29 | 178.7° | 180.0° |
| S1 | C25 | C24 | H24 | 1.3° | 0.1° |
| S1 | C25 | C28 | C27 | 178.8° | 180.0° |
| S1 | C25 | C28 | H28 | 1.2° | 0.1° |
| O4 | C3 | C5 | N9 | 168.1° | 179.8° |
| O4 | C3 | C5 | N6 | 178.1° | 167.4° |
| O4 | C3 | C5 | H51 | 66.4° | 47.3° |
| O4 | C3 | C5 | H52 | 58.1° | 73.0° |
| O4 | C3 | N9 | C7 | 179.8° | 175.7° |
| O4 | C3 | N9 | C11 | 0.9° | 4.4° |
| C3 | C5 | N6 | H51 | 115.5° | 120.0° |
| C3 | C5 | N6 | H52 | 120.0° | 119.8° |
| C3 | C5 | H51 | H52 | 117.3° | 120.2° |
| C3 | C5 | N6 | C8 | 33.1° | 42.4° |
| C5 | C3 | N9 | C7 | 12.5° | 4.1° |
| C5 | C3 | N9 | C11 | 168.3° | 175.8° |
| N9 | C3 | C5 | N6 | 13.8° | 12.4° |
| N9 | C3 | C5 | H51 | 101.7° | 132.5° |
| N9 | C3 | C5 | H52 | 133.8° | 107.2° |
| C3 | N9 | C7 | C8 | 29.6° | 21.9° |
| C3 | N9 | C7 | C11 | 179.3° | 180.0° |
| C3 | N9 | C7 | H71 | 147.6° | 142.2° |
| C3 | N9 | C7 | H72 | 90.3° | 98.4° |
| C3 | N9 | C11 | C19 | 132.1° | 90.0° |
| C3 | N9 | C11 | H111 | 113.4° | 30.0° |
| C3 | N9 | C11 | H112 | 12.1° | 150.0° |
| N6 | C5 | H51 | H52 | 117.3° | 120.0° |
| C5 | N6 | C8 | C7 | 49.7° | 61.2° |
| C5 | N6 | C8 | H81 | 68.9° | 58.4° |
| C5 | N6 | C8 | H82 | 169.7° | 179.0° |
| H51 | C5 | N6 | C8 | 82.3° | 162.4° |
| H52 | C5 | N6 | C8 | 153.1° | 77.4° |
| N6 | C8 | C7 | H81 | 118.6° | 119.7° |
| N6 | C8 | C7 | H82 | 120.0° | 119.8° |
| N6 | C8 | C7 | N9 | 47.9° | 46.7° |
| N6 | C8 | C7 | H71 | 165.8° | 167.0° |
| N6 | C8 | C7 | H72 | 72.1° | 73.6° |
| N6 | C8 | H81 | H82 | 119.1° | 120.7° |
| C8 | C7 | N9 | H71 | 117.9° | 120.3° |
| C8 | C7 | N9 | H72 | 120.0° | 120.3° |
| C8 | C7 | H71 | H72 | 118.7° | 119.4° |
| C7 | C8 | H81 | H82 | 119.1° | 120.6° |
| C8 | C7 | N9 | C11 | 151.1° | 158.1° |
| N9 | C7 | H71 | H72 | 118.7° | 119.4° |
| N9 | C7 | C8 | H81 | 70.7° | 73.0° |
| N9 | C7 | C8 | H82 | 167.9° | 166.5° |
| C7 | N9 | C11 | C19 | 48.6° | 90.0° |
| C7 | N9 | C11 | H111 | 65.9° | 150.0° |
| C7 | N9 | C11 | H112 | 168.6° | 30.0° |
| H71 | C7 | C8 | H81 | 47.2° | 47.3° |
| H71 | C7 | C8 | H82 | 74.2° | 73.2° |
| H71 | C7 | N9 | C11 | 33.1° | 37.8° |
| H72 | C7 | C8 | H81 | 169.3° | 166.7° |
| H72 | C7 | C8 | H82 | 47.9° | 46.1° |
| H72 | C7 | N9 | C11 | 88.9° | 81.6° |
| N9 | C11 | C19 | H111 | 114.5° | 120.0° |
| N9 | C11 | C19 | H112 | 120.0° | 120.0° |
| N9 | C11 | H111 | H112 | 116.8° | 120.0° |
| N9 | C11 | C19 | C20 | 53.5° | 180.0° |
| N9 | C11 | C19 | C23 | 179.1° | 60.6° |
| N9 | C11 | C19 | H19 | 62.1° | 59.8° |
| C19 | C11 | H111 | H112 | 116.8° | 120.0° |
| C11 | C19 | C20 | C16 | 179.2° | 175.4° |
| C11 | C19 | C23 | C18 | 179.8° | 175.4° |
| C11 | C19 | C20 | C23 | 125.7° | 119.8° |
| C11 | C19 | C20 | H19 | 115.4° | 120.3° |
| C11 | C19 | C23 | H19 | 115.9° | 120.3° |
| C11 | C19 | C20 | H201 | 60.7° | 64.6° |
| C11 | C19 | C20 | H202 | 60.8° | 55.5° |
| C11 | C19 | C23 | H231 | 62.0° | 55.5° |
| C11 | C19 | C23 | H232 | 60.2° | 64.7° |
| H111 | C11 | C19 | C20 | 168.0° | 60.0° |
| H111 | C11 | C19 | C23 | 66.4° | 179.4° |
| H111 | C11 | C19 | H19 | 52.4° | 60.2° |
| H112 | C11 | C19 | C20 | 66.5° | 60.0° |
| H112 | C11 | C19 | C23 | 59.1° | 59.4° |
| H112 | C11 | C19 | H19 | 177.8° | 179.7° |
| C15 | C12 | N21 | H12 | 180.0° | 180.0° |
| C12 | C15 | C14 | N13 | 179.9° | 180.0° |
| C12 | C15 | C14 | H15 | 180.0° | 180.0° |
| C12 | C15 | C14 | C17 | 0.1° | 0.2° |
| C15 | C12 | N21 | C22 | 0.1° | 0.0° |
| N21 | C12 | C15 | C14 | 0.2° | 0.1° |
| N21 | C12 | C15 | H15 | 179.8° | 180.0° |
| C12 | N21 | C22 | C17 | 0.1° | 0.3° |
| C12 | N21 | C22 | H22 | 180.0° | 180.0° |
| H12 | C12 | C15 | C14 | 179.8° | 179.9° |
| H12 | C12 | C15 | H15 | 0.2° | 0.0° |
| H12 | C12 | N21 | C22 | 179.9° | 180.0° |
| C14 | N13 | C16 | C18 | 173.7° | 114.1° |
| N13 | C14 | C15 | C17 | 180.0° | 179.8° |
| N13 | C14 | C15 | H15 | 0.1° | 0.0° |
| C14 | N13 | C16 | C20 | 162.5° | 179.7° |
| C14 | N13 | C16 | H161 | 81.5° | 59.5° |
| C14 | N13 | C16 | H162 | 42.4° | 60.1° |
| N13 | C14 | C17 | C22 | 179.9° | 179.7° |
| N13 | C14 | C17 | H17 | 0.1° | 0.2° |
| C14 | N13 | C18 | C23 | 166.2° | 179.7° |
| C14 | N13 | C18 | H181 | 50.3° | 59.5° |
| C14 | N13 | C18 | H182 | 73.8° | 60.3° |
| C16 | N13 | C14 | C15 | 145.7° | 180.0° |
| C16 | N13 | C14 | C17 | 34.3° | 0.3° |
| N13 | C16 | C20 | H161 | 116.0° | 120.1° |
| N13 | C16 | C20 | H162 | 120.0° | 120.1° |
| N13 | C16 | H161 | H162 | 117.6° | 119.7° |
| C16 | N13 | C18 | C23 | 20.1° | 65.7° |
| C16 | N13 | C18 | H181 | 136.0° | 54.5° |
| C16 | N13 | C18 | H182 | 99.9° | 174.3° |
| N13 | C16 | C20 | C19 | 42.0° | 61.4° |
| N13 | C16 | C20 | H201 | 160.5° | 178.7° |
| N13 | C16 | C20 | H202 | 78.0° | 58.5° |
| C18 | N13 | C14 | C15 | 27.8° | 65.6° |
| C18 | N13 | C14 | C17 | 152.2° | 114.2° |
| C18 | N13 | C16 | C20 | 23.8° | 65.6° |
| C18 | N13 | C16 | H161 | 92.2° | 54.5° |
| C18 | N13 | C16 | H162 | 143.8° | 174.2° |
| N13 | C18 | C23 | H181 | 115.9° | 120.2° |
| N13 | C18 | C23 | H182 | 120.0° | 120.0° |
| N13 | C18 | H181 | H182 | 117.6° | 119.8° |
| N13 | C18 | C23 | C19 | 34.9° | 61.5° |
| N13 | C18 | C23 | H231 | 82.9° | 58.5° |
| N13 | C18 | C23 | H232 | 154.9° | 178.7° |
| C15 | C14 | C17 | C22 | 0.1° | 0.5° |
| C15 | C14 | C17 | H17 | 179.9° | 180.0° |
| C17 | C14 | C15 | H15 | 179.9° | 179.8° |
| C14 | C17 | C22 | H17 | 180.0° | 179.5° |
| C14 | C17 | C22 | N21 | 0.2° | 0.5° |
| C14 | C17 | C22 | H22 | 179.9° | 179.7° |
| C20 | C16 | H161 | H162 | 117.6° | 119.9° |
| C16 | C20 | C19 | H201 | 118.5° | 120.0° |
| C16 | C20 | C19 | H202 | 120.0° | 120.0° |
| C16 | C20 | C19 | C23 | 55.1° | 55.6° |
| C16 | C20 | C19 | H19 | 63.8° | 64.3° |
| C16 | C20 | H201 | H202 | 119.1° | 120.2° |
| H161 | C16 | C20 | C19 | 74.0° | 58.7° |
| H161 | C16 | C20 | H201 | 44.5° | 61.2° |
| H161 | C16 | C20 | H202 | 166.0° | 178.7° |
| H162 | C16 | C20 | C19 | 162.0° | 178.5° |
| H162 | C16 | C20 | H201 | 79.5° | 58.6° |
| H162 | C16 | C20 | H202 | 42.0° | 61.6° |
| C17 | C22 | N21 | H22 | 180.0° | 179.8° |
| H17 | C17 | C22 | N21 | 179.8° | 180.0° |
| H17 | C17 | C22 | H22 | 0.1° | 0.2° |
| C23 | C18 | H181 | H182 | 117.6° | 119.8° |
| C18 | C23 | C19 | C20 | 51.9° | 55.6° |
| C18 | C23 | C19 | H231 | 117.8° | 120.0° |
| C18 | C23 | C19 | H232 | 120.0° | 119.9° |
| C18 | C23 | C19 | H19 | 64.3° | 64.2° |
| C18 | C23 | H231 | H232 | 118.6° | 120.2° |
| H181 | C18 | C23 | C19 | 150.8° | 58.7° |
| H181 | C18 | C23 | H231 | 33.0° | 178.6° |
| H181 | C18 | C23 | H232 | 89.1° | 61.1° |
| H182 | C18 | C23 | C19 | 85.1° | 178.5° |
| H182 | C18 | C23 | H231 | 157.1° | 61.5° |
| H182 | C18 | C23 | H232 | 34.9° | 58.7° |
| C20 | C19 | C23 | H19 | 116.2° | 119.9° |
| C19 | C20 | H201 | H202 | 119.0° | 120.1° |
| C20 | C19 | C23 | H231 | 65.9° | 64.3° |
| C20 | C19 | C23 | H232 | 171.9° | 175.5° |
| C23 | C19 | C20 | H201 | 173.6° | 175.6° |
| C23 | C19 | C20 | H202 | 65.0° | 64.4° |
| C19 | C23 | H231 | H232 | 118.6° | 120.0° |
| H19 | C19 | C20 | H201 | 54.7° | 55.6° |
| H19 | C19 | C20 | H202 | 176.2° | 175.7° |
| H19 | C19 | C23 | H231 | 177.9° | 175.8° |
| H19 | C19 | C23 | H232 | 55.7° | 55.7° |
| C25 | C24 | C29 | H24 | 180.0° | 180.0° |
| C25 | C24 | C29 | C26 | 0.0° | 0.0° |
| C24 | C25 | C28 | C27 | 0.0° | 0.1° |
| C24 | C25 | C28 | H28 | 180.0° | 180.0° |
| C25 | C24 | C29 | C31 | 179.7° | 179.9° |
| C29 | C24 | C25 | C28 | 0.0° | 0.0° |
| C24 | C29 | C26 | C27 | 0.2° | 0.0° |
| C24 | C29 | C26 | C31 | 179.7° | 179.9° |
| C24 | C29 | C26 | C32 | 179.6° | 179.7° |
| C24 | C29 | C31 | C33 | 179.6° | 180.0° |
| C24 | C29 | C31 | H31 | 0.3° | 0.0° |
| H24 | C24 | C25 | C28 | 180.0° | 180.0° |
| H24 | C24 | C29 | C26 | 179.9° | 179.9° |
| H24 | C24 | C29 | C31 | 0.2° | 0.0° |
| C25 | C28 | C27 | C26 | 0.2° | 0.1° |
| C25 | C28 | C27 | H28 | 180.0° | 179.9° |
| C25 | C28 | C27 | H27 | 179.8° | 180.0° |
| C27 | C26 | C29 | C32 | 179.8° | 179.7° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C26 | C29 | C31 | 179.9° | 179.9° |
| C27 | C26 | C32 | C34 | 179.9° | 179.7° |
| C27 | C26 | C32 | H32 | 0.2° | 0.1° |
| C29 | C26 | C27 | C28 | 0.3° | 0.0° |
| C29 | C26 | C27 | H27 | 179.7° | 179.9° |
| C26 | C29 | C31 | C33 | 0.1° | 0.1° |
| C26 | C29 | C31 | H31 | 180.0° | 179.9° |
| C29 | C26 | C32 | C34 | 0.1° | 0.6° |
| C29 | C26 | C32 | H32 | 179.9° | 179.8° |
| C32 | C26 | C27 | C28 | 179.5° | 179.6° |
| C32 | C26 | C27 | H27 | 0.5° | 0.3° |
| C32 | C26 | C29 | C31 | 0.1° | 0.4° |
| C26 | C32 | C34 | CL30 | 179.7° | 179.7° |
| C26 | C32 | C34 | H32 | 180.0° | 179.7° |
| C26 | C32 | C34 | C33 | 0.0° | 0.5° |
| H27 | C27 | C28 | H28 | 0.2° | 0.1° |
| C29 | C31 | C33 | H31 | 180.0° | 180.0° |
| C29 | C31 | C33 | C34 | 0.0° | 0.0° |
| C29 | C31 | C33 | H33 | 180.0° | 179.9° |
| CL30 | C34 | C33 | C31 | 179.7° | 180.0° |
| CL30 | C34 | C32 | C33 | 179.7° | 179.9° |
| CL30 | C34 | C32 | H32 | 0.3° | 0.0° |
| CL30 | C34 | C33 | H33 | 0.3° | 0.1° |
| C31 | C33 | C34 | C32 | 0.0° | 0.2° |
| C31 | C33 | C34 | H33 | 180.0° | 179.9° |
| H31 | C31 | C33 | C34 | 180.0° | 179.9° |
| H31 | C31 | C33 | H33 | 0.0° | 0.0° |
| C32 | C34 | C33 | H33 | 180.0° | 179.7° |
| H32 | C32 | C34 | C33 | 180.0° | 179.9° |
