58H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | trip | 1.17Å | 1.20Å | |
| C15 | C14 | trip | 1.17Å | 1.20Å | |
| C17 | C13 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | sing | 1.47Å | 1.48Å | |
| O37 | C03 | doub | 1.22Å | 1.22Å | |
| C13 | C10 | sing | 1.53Å | 1.56Å | |
| C13 | O16 | sing | 1.43Å | 1.43Å | |
| N26 | C25 | doub | 1.32Å | 1.35Å | Aromatic |
| N26 | C21 | sing | 1.33Å | 1.36Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C06 | N07 | sing | 1.47Å | 1.52Å | |
| N19 | C05 | sing | 1.37Å | 1.38Å | |
| N19 | C20 | sing | 1.38Å | 1.38Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | doub | 1.35Å | 1.35Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N27 | doub | 1.29Å | 1.29Å | |
| C20 | C21 | sing | 1.48Å | 1.49Å | |
| C04 | C03 | sing | 1.41Å | 1.47Å | |
| C04 | C28 | sing | 1.50Å | 1.51Å | |
| N27 | C28 | sing | 1.46Å | 1.47Å | |
| C03 | O02 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N07 | C08 | sing | 1.47Å | 1.52Å | |
| N07 | C12 | sing | 1.47Å | 1.51Å | |
| O02 | C01 | sing | 1.43Å | 1.43Å | |
| C36 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | CL3 | sing | 1.74Å | 1.72Å | |
| C30 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | F34 | sing | 1.35Å | 1.33Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.05Å | 1.06Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.05Å | 1.06Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| N19 | H8 | sing | 0.97Å | 1.00Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C13 | 178.0° | 180.0° |
| C17 | C18 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | 174.0° | 179.9° |
| C14 | C15 | H16 | 180.0° | 180.0° |
| C17 | C13 | C14 | 109.4° | 109.5° |
| C17 | C13 | C10 | 111.2° | 109.5° |
| C17 | C13 | O16 | 110.3° | 109.5° |
| C14 | C13 | C10 | 108.9° | 109.4° |
| C14 | C13 | O16 | 108.5° | 109.5° |
| O37 | C03 | C04 | 122.9° | 120.0° |
| O37 | C03 | O02 | 126.7° | 120.0° |
| C10 | C13 | O16 | 108.4° | 109.4° |
| C13 | C10 | C09 | 112.5° | 109.5° |
| C13 | C10 | C11 | 113.0° | 109.5° |
| C13 | C10 | H13 | 107.3° | 109.6° |
| C13 | O16 | H17 | 109.5° | 114.0° |
| C25 | N26 | C21 | 114.6° | 121.7° |
| N26 | C25 | C24 | 123.8° | 120.9° |
| N26 | C25 | H22 | 118.1° | 119.6° |
| N26 | C21 | C20 | 115.4° | 119.7° |
| N26 | C21 | C22 | 125.5° | 120.6° |
| C05 | C06 | N07 | 114.4° | 109.5° |
| C06 | C05 | N19 | 119.0° | 120.2° |
| C06 | C05 | C04 | 124.8° | 120.2° |
| C05 | C06 | H6 | 108.2° | 109.5° |
| C05 | C06 | H7 | 108.2° | 109.5° |
| C06 | N07 | C08 | 113.2° | 111.0° |
| C06 | N07 | C12 | 115.7° | 111.0° |
| N07 | C06 | H6 | 108.2° | 109.5° |
| N07 | C06 | H7 | 108.2° | 109.5° |
| C05 | N19 | C20 | 123.2° | 119.6° |
| N19 | C05 | C04 | 116.2° | 119.7° |
| C05 | N19 | H8 | 118.4° | 120.2° |
| N19 | C20 | N27 | 124.4° | 121.3° |
| N19 | C20 | C21 | 117.9° | 119.3° |
| C20 | N19 | H8 | 118.4° | 120.2° |
| C09 | C10 | C11 | 108.9° | 109.2° |
| C10 | C09 | C08 | 113.8° | 109.3° |
| C10 | C09 | H11 | 108.4° | 109.5° |
| C10 | C09 | H12 | 108.4° | 109.5° |
| C09 | C10 | H13 | 107.5° | 109.5° |
| C10 | C11 | C12 | 112.7° | 109.3° |
| C10 | C11 | H1 | 108.7° | 109.5° |
| C10 | C11 | H2 | 108.7° | 109.6° |
| C11 | C10 | H13 | 107.5° | 109.6° |
| C05 | C04 | C03 | 126.0° | 119.5° |
| C05 | C04 | C28 | 122.3° | 121.0° |
| C25 | C24 | C23 | 119.7° | 119.4° |
| C25 | C24 | H21 | 120.1° | 120.4° |
| C24 | C25 | H22 | 118.1° | 119.5° |
| N27 | C20 | C21 | 117.6° | 119.3° |
| C20 | N27 | C28 | 118.2° | 122.7° |
| C20 | C21 | C22 | 118.9° | 119.7° |
| C03 | C04 | C28 | 111.7° | 119.5° |
| C04 | C03 | O02 | 110.3° | 120.0° |
| C04 | C28 | N27 | 115.4° | 111.1° |
| C04 | C28 | C29 | 111.2° | 109.2° |
| C04 | C28 | H26 | 106.9° | 109.1° |
| N27 | C28 | C29 | 108.9° | 109.3° |
| N27 | C28 | H26 | 107.4° | 109.0° |
| C03 | O02 | C01 | 112.4° | 117.0° |
| C28 | C29 | C36 | 117.8° | 120.0° |
| C28 | C29 | C30 | 123.8° | 120.0° |
| C29 | C28 | H26 | 106.7° | 109.0° |
| C21 | C22 | C23 | 117.9° | 119.0° |
| C21 | C22 | H19 | 121.1° | 120.5° |
| C09 | C08 | N07 | 111.3° | 109.5° |
| C09 | C08 | H9 | 109.0° | 109.5° |
| C09 | C08 | H10 | 109.0° | 109.6° |
| C08 | C09 | H11 | 108.4° | 109.5° |
| C08 | C09 | H12 | 108.4° | 109.5° |
| C24 | C23 | C22 | 118.5° | 118.5° |
| C24 | C23 | H20 | 120.8° | 120.8° |
| C23 | C24 | H21 | 120.2° | 120.3° |
| C23 | C22 | H19 | 121.1° | 120.5° |
| C22 | C23 | H20 | 120.8° | 120.7° |
| C11 | C12 | N07 | 112.3° | 109.5° |
| C12 | C11 | H1 | 108.6° | 109.5° |
| C12 | C11 | H2 | 108.6° | 109.5° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C11 | C12 | H15 | 108.8° | 109.4° |
| C08 | N07 | C12 | 111.7° | 111.2° |
| N07 | C08 | H9 | 109.0° | 109.4° |
| N07 | C08 | H10 | 109.0° | 109.4° |
| N07 | C12 | H14 | 108.8° | 109.5° |
| N07 | C12 | H15 | 108.7° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| O02 | C01 | H4 | 109.5° | 109.4° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| C29 | C36 | C35 | 120.3° | 120.1° |
| C36 | C29 | C30 | 118.4° | 120.0° |
| C29 | C36 | H25 | 119.8° | 120.0° |
| C36 | C35 | C33 | 119.8° | 120.0° |
| C36 | C35 | H24 | 120.1° | 120.0° |
| C35 | C36 | H25 | 119.9° | 120.0° |
| C29 | C30 | CL3 | 122.9° | 119.9° |
| C29 | C30 | C32 | 120.9° | 120.0° |
| C35 | C33 | C32 | 121.4° | 120.0° |
| C35 | C33 | F34 | 119.2° | 120.0° |
| C33 | C35 | H24 | 120.1° | 120.0° |
| CL3 | C30 | C32 | 116.2° | 120.1° |
| C30 | C32 | C33 | 119.1° | 120.0° |
| C30 | C32 | H23 | 120.4° | 120.0° |
| C32 | C33 | F34 | 119.4° | 120.0° |
| C33 | C32 | H23 | 120.5° | 120.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.4° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C13 | C14 | 22.7° | 127.6° |
| C18 | C17 | C13 | C10 | 97.7° | 7.6° |
| C18 | C17 | C13 | O16 | 141.9° | 112.4° |
| C15 | C14 | C13 | C17 | 25.9° | 52.7° |
| C15 | C14 | C13 | C10 | 95.9° | 172.7° |
| C15 | C14 | C13 | O16 | 146.3° | 67.3° |
| C17 | C13 | C14 | C10 | 121.8° | 120.0° |
| C17 | C13 | C14 | O16 | 120.3° | 120.0° |
| C17 | C13 | C10 | O16 | 121.4° | 120.0° |
| C17 | C13 | C10 | C09 | 50.3° | 60.0° |
| C17 | C13 | C10 | C11 | 174.2° | 179.7° |
| C17 | C13 | C10 | H13 | 67.6° | 60.1° |
| C17 | C13 | O16 | H17 | 180.0° | 60.0° |
| C13 | C17 | C18 | H18 | 54.9° | 17.7° |
| C14 | C13 | C10 | O16 | 117.9° | 120.0° |
| C14 | C13 | C10 | C09 | 171.0° | 180.0° |
| C14 | C13 | C10 | C11 | 65.2° | 60.3° |
| C14 | C13 | C10 | H13 | 53.1° | 59.9° |
| C13 | C14 | C15 | H16 | 111.5° | 160.4° |
| C14 | C13 | O16 | H17 | 60.2° | 180.0° |
| O37 | C03 | C04 | C05 | 126.8° | 6.5° |
| O37 | C03 | C04 | O02 | 176.6° | 180.0° |
| O37 | C03 | C04 | C28 | 52.2° | 173.2° |
| O37 | C03 | O02 | C01 | 7.3° | 0.0° |
| C13 | C10 | C09 | C11 | 126.0° | 119.9° |
| C13 | C10 | C09 | H13 | 117.8° | 120.2° |
| C13 | C10 | C11 | H13 | 118.1° | 120.2° |
| C13 | C10 | C09 | C08 | 150.8° | 177.6° |
| C13 | C10 | C11 | C12 | 172.9° | 177.6° |
| C13 | C10 | C11 | H1 | 52.4° | 62.5° |
| C13 | C10 | C11 | H2 | 66.6° | 57.6° |
| C13 | C10 | C09 | H11 | 30.2° | 62.5° |
| C13 | C10 | C09 | H12 | 88.5° | 57.6° |
| C10 | C13 | O16 | H17 | 58.0° | 60.0° |
| O16 | C13 | C10 | C09 | 71.1° | 60.0° |
| O16 | C13 | C10 | C11 | 52.7° | 59.7° |
| O16 | C13 | C10 | H13 | 170.9° | 179.9° |
| N26 | C25 | C24 | H22 | 180.0° | 179.8° |
| C25 | N26 | C21 | C20 | 177.8° | 179.7° |
| C25 | N26 | C21 | C22 | 2.8° | 0.5° |
| N26 | C25 | C24 | C23 | 0.1° | 0.2° |
| N26 | C25 | C24 | H21 | 179.8° | 179.8° |
| N26 | C21 | C20 | N19 | 20.9° | 0.3° |
| C21 | N26 | C25 | C24 | 2.1° | 0.5° |
| N26 | C21 | C20 | N27 | 162.4° | 179.7° |
| N26 | C21 | C20 | C22 | 175.4° | 179.7° |
| N26 | C21 | C22 | C23 | 1.1° | 0.3° |
| N26 | C21 | C22 | H19 | 178.9° | 179.7° |
| C21 | N26 | C25 | H22 | 177.9° | 179.7° |
| C05 | C06 | N07 | H6 | 120.8° | 120.0° |
| C05 | C06 | N07 | H7 | 120.7° | 120.0° |
| C06 | C05 | N19 | C04 | 178.3° | 180.0° |
| C06 | C05 | N19 | C20 | 176.9° | 162.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.5° |
| C06 | C05 | C04 | C28 | 179.0° | 179.2° |
| C05 | C06 | N07 | C08 | 146.5° | 164.5° |
| C05 | C06 | N07 | C12 | 82.7° | 71.3° |
| C05 | C06 | H6 | H7 | 117.7° | 120.0° |
| C06 | C05 | N19 | H8 | 3.2° | 17.0° |
| N07 | C06 | C05 | N19 | 77.8° | 96.2° |
| N07 | C06 | C05 | C04 | 104.1° | 83.8° |
| C06 | N07 | C08 | C09 | 69.4° | 174.2° |
| C06 | N07 | C12 | C11 | 104.5° | 174.2° |
| C06 | N07 | C08 | C12 | 132.8° | 124.1° |
| N07 | C06 | H6 | H7 | 117.7° | 120.0° |
| C06 | N07 | C08 | H9 | 170.3° | 65.8° |
| C06 | N07 | C08 | H10 | 50.9° | 54.1° |
| C06 | N07 | C12 | H14 | 15.9° | 65.8° |
| C06 | N07 | C12 | H15 | 135.0° | 54.2° |
| C05 | N19 | C20 | H8 | 180.0° | 179.9° |
| C05 | N19 | C20 | N27 | 7.5° | 17.7° |
| C05 | N19 | C20 | C21 | 168.9° | 162.3° |
| N19 | C05 | C04 | C03 | 178.0° | 179.5° |
| N19 | C05 | C04 | C28 | 0.8° | 0.8° |
| N19 | C05 | C06 | H6 | 43.0° | 23.8° |
| N19 | C05 | C06 | H7 | 161.5° | 143.8° |
| C20 | N19 | C05 | C04 | 4.9° | 17.2° |
| N19 | C20 | N27 | C21 | 176.5° | 180.0° |
| N19 | C20 | N27 | C28 | 5.2° | 0.7° |
| N19 | C20 | C21 | C22 | 154.5° | 180.0° |
| C09 | C10 | C11 | H13 | 116.1° | 119.9° |
| C10 | C09 | C08 | H11 | 120.6° | 120.0° |
| C10 | C09 | C08 | H12 | 120.6° | 120.0° |
| C09 | C10 | C11 | C12 | 61.3° | 57.7° |
| C10 | C09 | C08 | N07 | 34.3° | 59.1° |
| C09 | C10 | C11 | H1 | 178.2° | 177.6° |
| C09 | C10 | C11 | H2 | 59.1° | 62.3° |
| C10 | C09 | C08 | H9 | 86.0° | 60.8° |
| C10 | C09 | C08 | H10 | 154.6° | 179.2° |
| C10 | C09 | H11 | H12 | 118.0° | 120.1° |
| C11 | C10 | C09 | C08 | 24.8° | 57.7° |
| C10 | C11 | C12 | H1 | 120.5° | 119.9° |
| C10 | C11 | C12 | H2 | 120.5° | 120.0° |
| C10 | C11 | C12 | N07 | 34.1° | 59.2° |
| C10 | C11 | H1 | H2 | 118.5° | 120.2° |
| C11 | C10 | C09 | H11 | 95.8° | 177.6° |
| C11 | C10 | C09 | H12 | 145.4° | 62.3° |
| C10 | C11 | C12 | H14 | 86.3° | 60.9° |
| C10 | C11 | C12 | H15 | 154.5° | 179.2° |
| C05 | C04 | C03 | C28 | 179.0° | 179.7° |
| C05 | C04 | C28 | N27 | 1.0° | 16.8° |
| C05 | C04 | C03 | O02 | 56.6° | 173.5° |
| C05 | C04 | C28 | C29 | 125.7° | 103.9° |
| C04 | C05 | C06 | H6 | 135.2° | 156.2° |
| C04 | C05 | C06 | H7 | 16.6° | 36.3° |
| C04 | C05 | N19 | H8 | 175.1° | 162.9° |
| C05 | C04 | C28 | H26 | 118.3° | 137.0° |
| C25 | C24 | C23 | H21 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 1.9° | 0.0° |
| C25 | C24 | C23 | H20 | 178.1° | 180.0° |
| C20 | N27 | C28 | C04 | 1.1° | 16.8° |
| C20 | N27 | C28 | C29 | 124.8° | 103.7° |
| N27 | C20 | C21 | C22 | 22.2° | 0.0° |
| N27 | C20 | N19 | H8 | 172.4° | 162.4° |
| C20 | N27 | C28 | H26 | 120.1° | 137.1° |
| C21 | C20 | N27 | C28 | 171.3° | 179.3° |
| C20 | C21 | C22 | C23 | 176.0° | 180.0° |
| C20 | C21 | C22 | H19 | 4.0° | 0.0° |
| C21 | C20 | N19 | H8 | 11.1° | 17.6° |
| C03 | C04 | C28 | N27 | 180.0° | 163.6° |
| C03 | C04 | C28 | C29 | 55.3° | 75.8° |
| C04 | C03 | O02 | C01 | 169.2° | 180.0° |
| C03 | C04 | C28 | H26 | 60.7° | 43.3° |
| C04 | C28 | N27 | C29 | 125.9° | 120.6° |
| C04 | C28 | N27 | H26 | 119.0° | 120.3° |
| C28 | C04 | C03 | O02 | 124.4° | 6.8° |
| C04 | C28 | C29 | H26 | 116.2° | 119.1° |
| C04 | C28 | C29 | C36 | 110.0° | 16.7° |
| C04 | C28 | C29 | C30 | 68.0° | 163.6° |
| N27 | C28 | C29 | H26 | 115.6° | 119.1° |
| N27 | C28 | C29 | C36 | 121.8° | 105.1° |
| N27 | C28 | C29 | C30 | 60.2° | 74.6° |
| C03 | O02 | C01 | H3 | 180.0° | 180.0° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| C28 | C29 | C36 | C30 | 178.1° | 179.7° |
| C28 | C29 | C36 | C35 | 176.4° | 179.8° |
| C28 | C29 | C30 | CL3 | 2.7° | 0.1° |
| C28 | C29 | C30 | C32 | 175.7° | 180.0° |
| C28 | C29 | C36 | H25 | 3.6° | 0.0° |
| C21 | C22 | C23 | C24 | 1.3° | 0.0° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | H20 | 178.7° | 180.0° |
| C09 | C08 | N07 | H9 | 120.3° | 120.0° |
| C09 | C08 | N07 | H10 | 120.3° | 120.1° |
| C09 | C08 | N07 | C12 | 63.4° | 61.7° |
| C09 | C08 | H9 | H10 | 119.1° | 120.1° |
| C08 | C09 | H11 | H12 | 118.0° | 120.0° |
| C08 | C09 | C10 | H13 | 91.3° | 62.2° |
| C24 | C23 | C22 | H20 | 180.0° | 180.0° |
| C24 | C23 | C22 | H19 | 178.7° | 180.0° |
| C23 | C24 | C25 | H22 | 179.9° | 179.9° |
| C22 | C23 | C24 | H21 | 178.1° | 180.0° |
| C11 | C12 | N07 | C08 | 27.0° | 61.8° |
| C11 | C12 | N07 | H14 | 120.4° | 120.1° |
| C11 | C12 | N07 | H15 | 120.4° | 120.0° |
| C12 | C11 | H1 | H2 | 118.5° | 120.0° |
| C12 | C11 | C10 | H13 | 54.8° | 62.2° |
| C11 | C12 | H14 | H15 | 118.7° | 119.9° |
| C08 | N07 | C06 | H6 | 92.7° | 75.6° |
| C08 | N07 | C06 | H7 | 25.8° | 44.5° |
| N07 | C08 | H9 | H10 | 119.1° | 119.9° |
| N07 | C08 | C09 | H11 | 155.0° | 179.1° |
| N07 | C08 | C09 | H12 | 86.3° | 60.9° |
| C08 | N07 | C12 | H14 | 147.4° | 58.3° |
| C08 | N07 | C12 | H15 | 93.4° | 178.3° |
| N07 | C12 | C11 | H1 | 154.6° | 179.2° |
| N07 | C12 | C11 | H2 | 86.4° | 60.8° |
| C12 | N07 | C06 | H6 | 38.1° | 48.6° |
| C12 | N07 | C06 | H7 | 156.6° | 168.7° |
| C12 | N07 | C08 | H9 | 56.9° | 58.3° |
| C12 | N07 | C08 | H10 | 176.3° | 178.2° |
| N07 | C12 | H14 | H15 | 118.7° | 120.0° |
| O02 | C01 | H3 | H4 | 120.0° | 119.9° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C29 | C36 | C35 | H25 | 180.0° | 179.7° |
| C29 | C36 | C35 | C33 | 0.9° | 0.5° |
| C36 | C29 | C30 | CL3 | 179.3° | 179.8° |
| C36 | C29 | C30 | C32 | 2.3° | 0.3° |
| C29 | C36 | C35 | H24 | 179.1° | 179.7° |
| C36 | C29 | C28 | H26 | 6.2° | 135.8° |
| C35 | C36 | C29 | C30 | 1.7° | 0.5° |
| C36 | C35 | C33 | H24 | 180.0° | 179.8° |
| C36 | C35 | C33 | C32 | 3.0° | 0.2° |
| C36 | C35 | C33 | F34 | 176.8° | 179.8° |
| C29 | C30 | CL3 | C32 | 178.5° | 179.9° |
| C29 | C30 | C32 | C33 | 0.3° | 0.1° |
| C29 | C30 | C32 | H23 | 179.7° | 180.0° |
| C30 | C29 | C36 | H25 | 178.2° | 179.7° |
| C30 | C29 | C28 | H26 | 175.8° | 44.5° |
| C35 | C33 | C32 | C30 | 2.4° | 0.0° |
| C35 | C33 | C32 | F34 | 179.8° | 180.0° |
| C35 | C33 | C32 | H23 | 177.6° | 180.0° |
| C33 | C35 | C36 | H25 | 179.2° | 179.8° |
| CL3 | C30 | C32 | C33 | 178.8° | 180.0° |
| CL3 | C30 | C32 | H23 | 1.2° | 0.1° |
| C30 | C32 | C33 | H23 | 180.0° | 180.0° |
| C30 | C32 | C33 | F34 | 177.4° | 180.0° |
| C32 | C33 | C35 | H24 | 177.0° | 180.0° |
| F34 | C33 | C32 | H23 | 2.6° | 0.0° |
| F34 | C33 | C35 | H24 | 3.2° | 0.0° |
| H1 | C11 | C10 | H13 | 65.7° | 57.7° |
| H1 | C11 | C12 | H14 | 34.2° | 59.1° |
| H1 | C11 | C12 | H15 | 85.0° | 60.9° |
| H2 | C11 | C10 | H13 | 175.3° | 177.8° |
| H2 | C11 | C12 | H14 | 153.2° | 179.1° |
| H2 | C11 | C12 | H15 | 34.0° | 59.2° |
| H3 | C01 | H4 | H5 | 120.0° | 120.1° |
| H9 | C08 | C09 | H11 | 34.7° | 59.2° |
| H9 | C08 | C09 | H12 | 153.4° | 179.2° |
| H10 | C08 | C09 | H11 | 84.7° | 60.9° |
| H10 | C08 | C09 | H12 | 34.0° | 59.1° |
| H11 | C09 | C10 | H13 | 148.0° | 57.7° |
| H12 | C09 | C10 | H13 | 29.3° | 177.8° |
| H19 | C22 | C23 | H20 | 1.3° | 0.0° |
| H20 | C23 | C24 | H21 | 1.9° | 0.0° |
| H21 | C24 | C25 | H22 | 0.1° | 0.1° |
| H24 | C35 | C36 | H25 | 0.9° | 0.0° |
