XOA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.62Å | |
| N22 | C21 | sing | 1.34Å | 1.35Å | Aromatic |
| N22 | C23 | doub | 1.30Å | 1.34Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.40Å | Aromatic |
| CL13 | C12 | sing | 1.74Å | 1.78Å | |
| C06 | C05 | sing | 1.53Å | 1.50Å | |
| C06 | N07 | sing | 1.46Å | 1.47Å | |
| C05 | N18 | sing | 1.47Å | 1.39Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.40Å | 1.51Å | |
| C23 | N24 | sing | 1.35Å | 1.34Å | Aromatic |
| N07 | C15 | sing | 1.34Å | 1.47Å | |
| C20 | C19 | sing | 1.51Å | 1.58Å | |
| C20 | N24 | sing | 1.37Å | 1.36Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.31Å | |
| N18 | C17 | sing | 1.47Å | 1.36Å | |
| N24 | C25 | sing | 1.47Å | 1.50Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.50Å | 1.59Å | |
| C15 | O16 | doub | 1.21Å | 1.19Å | |
| C25 | C26 | sing | 1.51Å | 1.56Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | BR30 | sing | 1.89Å | 1.94Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.1° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C01 | C02 | H9 | 108.8° | 109.5° |
| C01 | C02 | H10 | 108.8° | 109.5° |
| C02 | C03 | C04 | 113.2° | 109.5° |
| C03 | C02 | H9 | 108.8° | 109.5° |
| C03 | C02 | H10 | 108.8° | 109.5° |
| C02 | C03 | H11 | 108.5° | 109.4° |
| C02 | C03 | H12 | 108.5° | 109.5° |
| C03 | C04 | C05 | 111.4° | 109.5° |
| C04 | C03 | H11 | 108.5° | 109.5° |
| C04 | C03 | H12 | 108.5° | 109.5° |
| C03 | C04 | H13 | 109.0° | 109.5° |
| C03 | C04 | H14 | 109.0° | 109.5° |
| C04 | C05 | C06 | 108.0° | 109.8° |
| C04 | C05 | N18 | 111.5° | 109.6° |
| C05 | C04 | H13 | 109.0° | 109.5° |
| C05 | C04 | H14 | 109.0° | 109.4° |
| C04 | C05 | H15 | 106.9° | 109.6° |
| C21 | N22 | C23 | 108.4° | 109.3° |
| N22 | C21 | C20 | 107.4° | 108.0° |
| N22 | C21 | H4 | 126.3° | 126.0° |
| N22 | C23 | N24 | 109.1° | 108.7° |
| N22 | C23 | H23 | 125.4° | 125.6° |
| C21 | C20 | C19 | 126.1° | 126.6° |
| C21 | C20 | N24 | 106.4° | 106.8° |
| C20 | C21 | H4 | 126.3° | 126.0° |
| CL13 | C12 | C11 | 120.2° | 120.0° |
| CL13 | C12 | C14 | 119.5° | 120.0° |
| C05 | C06 | N07 | 116.6° | 109.9° |
| C06 | C05 | N18 | 112.2° | 108.4° |
| C06 | C05 | H15 | 108.3° | 109.9° |
| C05 | C06 | H16 | 107.7° | 109.4° |
| C05 | C06 | H17 | 107.6° | 109.4° |
| C06 | N07 | C08 | 121.3° | 118.5° |
| C06 | N07 | C15 | 117.6° | 122.9° |
| N07 | C06 | H16 | 107.7° | 109.1° |
| N07 | C06 | H17 | 107.7° | 109.8° |
| C05 | N18 | C19 | 110.9° | 111.0° |
| C05 | N18 | C17 | 112.3° | 110.2° |
| N18 | C05 | H15 | 109.8° | 109.6° |
| C11 | C12 | C14 | 120.3° | 120.0° |
| C12 | C11 | C10 | 119.9° | 120.1° |
| C12 | C11 | H19 | 120.1° | 119.9° |
| C12 | C14 | C08 | 119.8° | 119.9° |
| C12 | C14 | H20 | 120.1° | 120.0° |
| C11 | C10 | C09 | 119.9° | 120.1° |
| C11 | C10 | H1 | 120.1° | 120.0° |
| C10 | C11 | H19 | 120.1° | 119.9° |
| C14 | C08 | C09 | 120.0° | 119.9° |
| C14 | C08 | N07 | 119.6° | 120.0° |
| C08 | C14 | H20 | 120.1° | 120.1° |
| C10 | C09 | C08 | 120.1° | 119.9° |
| C09 | C10 | H1 | 120.0° | 119.9° |
| C10 | C09 | H18 | 120.0° | 120.0° |
| C09 | C08 | N07 | 120.4° | 120.1° |
| C08 | C09 | H18 | 119.9° | 120.1° |
| C08 | N07 | C15 | 121.1° | 118.5° |
| C23 | N24 | C20 | 108.8° | 107.2° |
| C23 | N24 | C25 | 125.0° | 126.4° |
| N24 | C23 | H23 | 125.4° | 125.7° |
| N07 | C15 | C17 | 116.3° | 122.8° |
| N07 | C15 | O16 | 122.0° | 118.6° |
| C19 | C20 | N24 | 127.6° | 126.6° |
| C20 | C19 | N18 | 108.6° | 109.4° |
| C20 | C19 | H21 | 109.7° | 109.5° |
| C20 | C19 | H22 | 109.7° | 109.5° |
| C20 | N24 | C25 | 126.2° | 126.4° |
| C19 | N18 | C17 | 110.1° | 111.3° |
| N18 | C19 | H21 | 109.7° | 109.5° |
| N18 | C19 | H22 | 109.7° | 109.4° |
| N18 | C17 | C15 | 113.7° | 110.0° |
| N18 | C17 | H2 | 108.4° | 109.4° |
| N18 | C17 | H3 | 108.4° | 109.3° |
| N24 | C25 | C26 | 112.2° | 109.4° |
| N24 | C25 | H24 | 108.8° | 109.5° |
| N24 | C25 | H25 | 108.8° | 109.5° |
| C31 | C32 | C26 | 119.7° | 120.0° |
| C32 | C31 | C29 | 120.2° | 120.0° |
| C32 | C31 | H27 | 119.9° | 120.0° |
| C31 | C32 | H28 | 120.1° | 120.0° |
| C32 | C26 | C25 | 121.4° | 120.0° |
| C32 | C26 | C27 | 119.9° | 120.1° |
| C26 | C32 | H28 | 120.1° | 120.0° |
| C31 | C29 | BR30 | 120.9° | 120.0° |
| C31 | C29 | C28 | 119.9° | 120.0° |
| C29 | C31 | H27 | 119.9° | 120.0° |
| C17 | C15 | O16 | 121.7° | 118.6° |
| C15 | C17 | H2 | 108.4° | 109.4° |
| C15 | C17 | H3 | 108.4° | 109.4° |
| C25 | C26 | C27 | 118.7° | 119.9° |
| C26 | C25 | H24 | 108.8° | 109.5° |
| C26 | C25 | H25 | 108.8° | 109.5° |
| C26 | C27 | C28 | 120.2° | 119.9° |
| C26 | C27 | H26 | 119.9° | 120.0° |
| BR30 | C29 | C28 | 119.3° | 120.0° |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C29 | C28 | H5 | 120.0° | 120.0° |
| C27 | C28 | H5 | 120.0° | 119.9° |
| C28 | C27 | H26 | 119.9° | 120.1° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.4° |
| H13 | C04 | H14 | 109.5° | 109.4° |
| H16 | C06 | H17 | 109.5° | 109.3° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H9 | 120.4° | 120.0° |
| C01 | C02 | C03 | H10 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 153.3° | 180.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | H9 | H10 | 118.8° | 120.0° |
| C01 | C02 | C03 | H11 | 86.1° | 60.0° |
| C01 | C02 | C03 | H12 | 32.8° | 59.9° |
| C02 | C03 | C04 | H11 | 120.5° | 120.0° |
| C02 | C03 | C04 | H12 | 120.5° | 120.0° |
| C02 | C03 | C04 | C05 | 157.9° | 175.0° |
| C03 | C02 | C01 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| C03 | C02 | H9 | H10 | 118.8° | 120.0° |
| C02 | C03 | H11 | H12 | 118.3° | 119.9° |
| C02 | C03 | C04 | H13 | 37.6° | 54.9° |
| C02 | C03 | C04 | H14 | 81.8° | 65.0° |
| C03 | C04 | C05 | H13 | 120.3° | 120.1° |
| C03 | C04 | C05 | H14 | 120.3° | 120.0° |
| C03 | C04 | C05 | C06 | 64.8° | 178.5° |
| C03 | C04 | C05 | N18 | 171.5° | 62.5° |
| C04 | C03 | C02 | H9 | 33.0° | 60.0° |
| C04 | C03 | C02 | H10 | 86.2° | 60.0° |
| C04 | C03 | H11 | H12 | 118.3° | 120.0° |
| C03 | C04 | H13 | H14 | 119.1° | 120.0° |
| C03 | C04 | C05 | H15 | 51.6° | 57.8° |
| C04 | C05 | C06 | N18 | 123.2° | 119.7° |
| C04 | C05 | C06 | H15 | 115.4° | 120.5° |
| C04 | C05 | C06 | N07 | 81.7° | 170.5° |
| C04 | C05 | N18 | H15 | 118.2° | 120.3° |
| C04 | C05 | N18 | C19 | 68.2° | 65.4° |
| C04 | C05 | N18 | C17 | 55.5° | 170.9° |
| C05 | C04 | C03 | H11 | 81.5° | 65.0° |
| C05 | C04 | C03 | H12 | 37.4° | 55.0° |
| C05 | C04 | H13 | H14 | 119.1° | 120.0° |
| C04 | C05 | C06 | H16 | 157.2° | 69.8° |
| C04 | C05 | C06 | H17 | 39.3° | 49.9° |
| N22 | C21 | C20 | H4 | 180.0° | 180.0° |
| C21 | N22 | C23 | N24 | 0.3° | 0.3° |
| N22 | C21 | C20 | C19 | 179.7° | 179.9° |
| N22 | C21 | C20 | N24 | 0.5° | 0.3° |
| C21 | N22 | C23 | H23 | 179.7° | 179.9° |
| C23 | N22 | C21 | C20 | 0.1° | 0.0° |
| N22 | C23 | N24 | H23 | 180.0° | 179.5° |
| N22 | C23 | N24 | C20 | 0.6° | 0.5° |
| N22 | C23 | N24 | C25 | 179.2° | 179.8° |
| C23 | N22 | C21 | H4 | 179.9° | 180.0° |
| C21 | C20 | N24 | C23 | 0.6° | 0.5° |
| C21 | C20 | C19 | N24 | 179.1° | 179.6° |
| C21 | C20 | C19 | N18 | 103.3° | 24.3° |
| C21 | C20 | N24 | C25 | 179.2° | 179.8° |
| C21 | C20 | C19 | H21 | 16.6° | 95.7° |
| C21 | C20 | C19 | H22 | 136.8° | 144.2° |
| CL13 | C12 | C11 | C14 | 180.0° | 180.0° |
| CL13 | C12 | C11 | C10 | 180.0° | 180.0° |
| CL13 | C12 | C14 | C08 | 180.0° | 179.8° |
| CL13 | C12 | C11 | H19 | 0.0° | 0.0° |
| CL13 | C12 | C14 | H20 | 0.0° | 0.0° |
| C05 | C06 | N07 | H16 | 121.0° | 119.9° |
| C05 | C06 | N07 | H17 | 121.0° | 120.4° |
| C06 | C05 | N18 | H15 | 120.5° | 119.9° |
| C05 | C06 | N07 | C08 | 170.3° | 161.5° |
| C05 | C06 | N07 | C15 | 10.2° | 18.6° |
| C06 | C05 | N18 | C19 | 170.6° | 54.4° |
| C06 | C05 | N18 | C17 | 65.8° | 69.3° |
| C06 | C05 | C04 | H13 | 55.5° | 58.4° |
| C06 | C05 | C04 | H14 | 174.9° | 61.5° |
| C05 | C06 | H16 | H17 | 116.7° | 119.7° |
| N07 | C06 | C05 | N18 | 41.5° | 50.8° |
| C06 | N07 | C08 | C14 | 54.7° | 112.2° |
| C06 | N07 | C08 | C09 | 125.1° | 67.3° |
| C06 | N07 | C08 | C15 | 179.5° | 179.9° |
| C06 | N07 | C15 | C17 | 0.7° | 1.7° |
| C06 | N07 | C15 | O16 | 180.0° | 178.0° |
| N07 | C06 | C05 | H15 | 162.8° | 68.9° |
| N07 | C06 | H16 | H17 | 116.8° | 120.0° |
| C05 | N18 | C19 | C20 | 78.2° | 163.8° |
| C05 | N18 | C19 | C17 | 124.9° | 123.1° |
| C05 | N18 | C17 | C15 | 55.2° | 50.3° |
| C05 | N18 | C17 | H2 | 65.4° | 69.9° |
| C05 | N18 | C17 | H3 | 175.8° | 170.4° |
| N18 | C05 | C04 | H13 | 68.2° | 177.4° |
| N18 | C05 | C04 | H14 | 51.3° | 57.4° |
| N18 | C05 | C06 | H16 | 79.5° | 170.5° |
| N18 | C05 | C06 | H17 | 162.6° | 69.8° |
| C05 | N18 | C19 | H21 | 41.7° | 43.8° |
| C05 | N18 | C19 | H22 | 161.9° | 76.2° |
| C12 | C11 | C10 | H19 | 180.0° | 179.9° |
| C11 | C12 | C14 | C08 | 0.1° | 0.2° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C12 | C11 | C10 | H1 | 179.8° | 179.7° |
| C11 | C12 | C14 | H20 | 180.0° | 180.0° |
| C14 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C14 | C08 | H20 | 180.0° | 179.8° |
| C12 | C14 | C08 | C09 | 0.2° | 0.5° |
| C12 | C14 | C08 | N07 | 180.0° | 180.0° |
| C14 | C12 | C11 | H19 | 179.9° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.3° | 0.2° |
| C11 | C10 | C09 | H18 | 179.8° | 179.8° |
| C14 | C08 | C09 | C10 | 0.3° | 0.5° |
| C14 | C08 | C09 | N07 | 179.8° | 179.5° |
| C14 | C08 | N07 | C15 | 124.7° | 67.9° |
| C14 | C08 | C09 | H18 | 179.8° | 179.5° |
| C10 | C09 | C08 | H18 | 180.0° | 180.0° |
| C10 | C09 | C08 | N07 | 179.9° | 180.0° |
| C09 | C10 | C11 | H19 | 179.8° | 179.9° |
| C09 | C08 | N07 | C15 | 55.4° | 112.6° |
| C08 | C09 | C10 | H1 | 179.7° | 180.0° |
| C09 | C08 | C14 | H20 | 179.9° | 179.7° |
| C08 | N07 | C15 | C17 | 179.8° | 178.4° |
| C08 | N07 | C15 | O16 | 0.5° | 2.0° |
| C08 | N07 | C06 | H16 | 68.6° | 41.5° |
| C08 | N07 | C06 | H17 | 49.3° | 78.2° |
| N07 | C08 | C09 | H18 | 0.1° | 0.0° |
| N07 | C08 | C14 | H20 | 0.0° | 0.2° |
| C23 | N24 | C20 | C19 | 179.9° | 179.9° |
| C23 | N24 | C20 | C25 | 178.6° | 179.7° |
| C23 | N24 | C25 | C26 | 108.4° | 95.7° |
| C23 | N24 | C25 | H24 | 131.2° | 144.4° |
| C23 | N24 | C25 | H25 | 12.0° | 24.4° |
| N07 | C15 | C17 | N18 | 22.5° | 16.9° |
| N07 | C15 | C17 | O16 | 179.3° | 179.7° |
| N07 | C15 | C17 | H2 | 98.2° | 103.2° |
| N07 | C15 | C17 | H3 | 143.1° | 136.9° |
| C15 | N07 | C06 | H16 | 110.8° | 138.5° |
| C15 | N07 | C06 | H17 | 131.2° | 101.8° |
| C20 | C19 | N18 | H21 | 119.9° | 120.0° |
| C20 | C19 | N18 | H22 | 119.9° | 119.9° |
| C20 | C19 | N18 | C17 | 157.0° | 73.1° |
| C19 | C20 | N24 | C25 | 1.5° | 0.2° |
| C19 | C20 | C21 | H4 | 0.3° | 0.1° |
| C20 | C19 | H21 | H22 | 120.4° | 120.0° |
| N24 | C20 | C19 | N18 | 75.8° | 156.1° |
| C20 | N24 | C25 | C26 | 73.3° | 84.7° |
| N24 | C20 | C21 | H4 | 179.5° | 179.7° |
| N24 | C20 | C19 | H21 | 164.3° | 83.9° |
| N24 | C20 | C19 | H22 | 44.1° | 36.2° |
| C20 | N24 | C23 | H23 | 179.4° | 180.0° |
| C20 | N24 | C25 | H24 | 47.1° | 35.3° |
| C20 | N24 | C25 | H25 | 166.3° | 155.3° |
| C19 | N18 | C17 | C15 | 179.3° | 73.3° |
| C19 | N18 | C17 | H2 | 58.7° | 166.6° |
| C19 | N18 | C17 | H3 | 60.1° | 46.9° |
| C19 | N18 | C05 | H15 | 50.1° | 174.3° |
| N18 | C19 | H21 | H22 | 120.4° | 120.0° |
| N18 | C17 | C15 | H2 | 120.6° | 120.1° |
| N18 | C17 | C15 | H3 | 120.6° | 120.0° |
| N18 | C17 | C15 | O16 | 158.2° | 162.8° |
| N18 | C17 | H2 | H3 | 118.1° | 119.6° |
| C17 | N18 | C05 | H15 | 173.7° | 50.6° |
| C17 | N18 | C19 | H21 | 83.2° | 166.9° |
| C17 | N18 | C19 | H22 | 37.1° | 46.9° |
| N24 | C25 | C26 | C32 | 35.5° | 92.0° |
| N24 | C25 | C26 | H24 | 120.4° | 120.0° |
| N24 | C25 | C26 | H25 | 120.4° | 120.0° |
| N24 | C25 | C26 | C27 | 144.5° | 88.2° |
| C25 | N24 | C23 | H23 | 0.8° | 0.2° |
| N24 | C25 | H24 | H25 | 118.8° | 120.0° |
| C31 | C32 | C26 | H28 | 180.0° | 179.9° |
| C32 | C31 | C29 | H27 | 180.0° | 179.6° |
| C31 | C32 | C26 | C25 | 179.9° | 179.7° |
| C31 | C32 | C26 | C27 | 0.1° | 0.1° |
| C32 | C31 | C29 | BR30 | 179.9° | 179.7° |
| C32 | C31 | C29 | C28 | 0.2° | 0.8° |
| C26 | C32 | C31 | C29 | 0.1° | 0.6° |
| C32 | C26 | C25 | C27 | 180.0° | 179.8° |
| C32 | C26 | C27 | C28 | 0.2° | 0.2° |
| C32 | C26 | C25 | H24 | 155.9° | 28.0° |
| C32 | C26 | C25 | H25 | 84.9° | 148.0° |
| C32 | C26 | C27 | H26 | 179.8° | 179.8° |
| C26 | C32 | C31 | H27 | 179.9° | 179.8° |
| C31 | C29 | BR30 | C28 | 179.9° | 179.5° |
| C31 | C29 | C28 | C27 | 0.1° | 0.5° |
| C31 | C29 | C28 | H5 | 179.9° | 179.5° |
| C29 | C31 | C32 | H28 | 179.9° | 179.5° |
| C15 | C17 | H2 | H3 | 118.1° | 119.9° |
| O16 | C15 | C17 | H2 | 81.1° | 77.1° |
| O16 | C15 | C17 | H3 | 37.6° | 42.8° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C26 | C25 | H24 | H25 | 118.8° | 120.0° |
| C25 | C26 | C27 | H26 | 0.2° | 0.0° |
| C25 | C26 | C32 | H28 | 0.1° | 0.2° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | H5 | 179.9° | 180.0° |
| C27 | C26 | C25 | H24 | 24.1° | 151.8° |
| C27 | C26 | C25 | H25 | 95.1° | 31.8° |
| C27 | C26 | C32 | H28 | 179.9° | 180.0° |
| BR30 | C29 | C28 | C27 | 180.0° | 180.0° |
| BR30 | C29 | C28 | H5 | 0.0° | 0.0° |
| BR30 | C29 | C31 | H27 | 0.1° | 0.1° |
| C29 | C28 | C27 | H5 | 180.0° | 180.0° |
| C29 | C28 | C27 | H26 | 179.9° | 180.0° |
| C28 | C29 | C31 | H27 | 179.8° | 179.6° |
| H1 | C10 | C09 | H18 | 0.3° | 0.1° |
| H1 | C10 | C11 | H19 | 0.2° | 0.2° |
| H5 | C28 | C27 | H26 | 0.1° | 0.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 59.6° | 60.0° |
| H6 | C01 | C02 | H10 | 59.6° | 60.0° |
| H7 | C01 | C02 | H9 | 60.4° | 59.9° |
| H7 | C01 | C02 | H10 | 179.6° | 179.9° |
| H8 | C01 | C02 | H9 | 179.6° | NaN° |
| H8 | C01 | C02 | H10 | 60.4° | 60.0° |
| H9 | C02 | C03 | H11 | 153.5° | 179.9° |
| H9 | C02 | C03 | H12 | 87.6° | 60.0° |
| H10 | C02 | C03 | H11 | 34.3° | 60.0° |
| H10 | C02 | C03 | H12 | 153.2° | 180.0° |
| H11 | C03 | C04 | H13 | 158.2° | 174.9° |
| H11 | C03 | C04 | H14 | 38.7° | 55.0° |
| H12 | C03 | C04 | H13 | 82.9° | 65.1° |
| H12 | C03 | C04 | H14 | 157.6° | 174.9° |
| H13 | C04 | C05 | H15 | 171.9° | 62.3° |
| H14 | C04 | C05 | H15 | 68.7° | 177.7° |
| H15 | C05 | C06 | H16 | 41.8° | 50.8° |
| H15 | C05 | C06 | H17 | 76.1° | 170.4° |
| H27 | C31 | C32 | H28 | 0.1° | 0.1° |
