A1CAD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | S33 | doub | 1.42Å | 1.47Å | |
| C34 | S33 | sing | 1.81Å | 1.82Å | |
| S33 | O36 | doub | 1.42Å | 1.46Å | |
| S33 | C29 | sing | 1.76Å | 1.82Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | F32 | sing | 1.35Å | 1.37Å | |
| C31 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.37Å | |
| C25 | N02 | sing | 1.40Å | 1.46Å | |
| C09 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
| C09 | C08 | doub | 1.35Å | 1.40Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.48Å | |
| N02 | C03 | sing | 1.38Å | 1.46Å | |
| N11 | N12 | sing | 1.40Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | N04 | doub | 1.32Å | 1.33Å | Aromatic |
| C03 | N18 | sing | 1.32Å | 1.32Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
| N12 | C07 | doub | 1.31Å | 1.31Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.48Å | |
| N18 | C17 | doub | 1.33Å | 1.32Å | Aromatic |
| C05 | N06 | sing | 1.39Å | 1.47Å | |
| C05 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | N24 | sing | 1.35Å | 1.33Å | Aromatic |
| C20 | N21 | sing | 1.36Å | 1.32Å | Aromatic |
| N24 | C23 | doub | 1.30Å | 1.35Å | Aromatic |
| N21 | C22 | sing | 1.46Å | 1.47Å | |
| N21 | C23 | sing | 1.36Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| N06 | H23 | sing | 0.97Å | 1.00Å | |
| N11 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | S33 | C34 | 111.2° | 110.6° |
| O35 | S33 | O36 | 101.6° | 121.1° |
| O35 | S33 | C29 | 110.2° | 104.3° |
| C34 | S33 | O36 | 112.8° | 110.5° |
| C34 | S33 | C29 | 111.4° | 104.4° |
| S33 | C34 | H20 | 109.5° | 109.5° |
| S33 | C34 | H21 | 109.5° | 109.5° |
| S33 | C34 | H22 | 109.5° | 109.5° |
| O36 | S33 | C29 | 109.2° | 104.3° |
| S33 | C29 | C30 | 119.3° | 119.9° |
| S33 | C29 | C28 | 119.0° | 119.9° |
| C30 | C29 | C28 | 121.7° | 120.2° |
| C29 | C30 | C31 | 118.9° | 120.1° |
| C29 | C30 | H19 | 120.6° | 120.0° |
| C29 | C28 | C26 | 119.2° | 120.1° |
| C29 | C28 | H18 | 120.4° | 120.0° |
| C30 | C31 | F32 | 120.3° | 120.0° |
| C30 | C31 | C25 | 119.5° | 119.9° |
| C31 | C30 | H19 | 120.6° | 119.9° |
| C28 | C26 | C25 | 119.2° | 119.9° |
| C28 | C26 | F27 | 120.9° | 120.1° |
| C26 | C28 | H18 | 120.4° | 119.9° |
| F32 | C31 | C25 | 120.2° | 120.1° |
| C31 | C25 | C26 | 121.5° | 119.8° |
| C31 | C25 | N02 | 119.3° | 120.1° |
| C10 | C09 | N11 | 125.6° | 126.1° |
| C10 | C09 | C08 | 127.1° | 126.0° |
| C09 | C10 | H2 | 109.5° | 109.4° |
| C09 | C10 | H3 | 109.4° | 109.5° |
| C09 | C10 | H4 | 109.5° | 109.4° |
| C25 | C26 | F27 | 119.9° | 120.0° |
| C26 | C25 | N02 | 119.2° | 120.1° |
| C25 | N02 | C01 | 121.0° | 120.0° |
| C25 | N02 | C03 | 118.3° | 120.0° |
| N11 | C09 | C08 | 107.3° | 107.9° |
| C09 | N11 | N12 | 107.3° | 108.1° |
| C09 | N11 | H24 | 126.4° | 126.0° |
| C09 | C08 | C07 | 107.4° | 107.9° |
| C09 | C08 | H8 | 126.3° | 126.1° |
| C01 | N02 | C03 | 120.4° | 120.0° |
| N02 | C01 | H5 | 109.5° | 109.4° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C01 | H7 | 109.5° | 109.5° |
| N02 | C03 | N04 | 119.7° | 119.1° |
| N02 | C03 | N18 | 117.3° | 119.1° |
| N11 | N12 | C07 | 111.0° | 108.2° |
| N12 | N11 | H24 | 126.3° | 126.0° |
| C08 | C07 | N12 | 107.0° | 108.0° |
| C08 | C07 | N06 | 127.8° | 126.0° |
| C07 | C08 | H8 | 126.3° | 126.0° |
| N04 | C03 | N18 | 122.9° | 121.7° |
| C03 | N04 | C05 | 120.0° | 120.9° |
| C03 | N18 | C17 | 121.4° | 120.8° |
| N04 | C05 | N06 | 121.0° | 120.5° |
| N04 | C05 | C13 | 118.9° | 119.1° |
| N12 | C07 | N06 | 125.2° | 126.0° |
| C07 | N06 | C05 | 122.1° | 120.0° |
| C07 | N06 | H23 | 119.0° | 120.1° |
| N18 | C17 | C13 | 117.6° | 119.1° |
| N18 | C17 | C19 | 116.1° | 120.4° |
| N06 | C05 | C13 | 120.1° | 120.5° |
| C05 | N06 | H23 | 119.0° | 119.9° |
| C05 | C13 | C17 | 119.2° | 118.4° |
| C05 | C13 | C14 | 117.2° | 120.7° |
| C13 | C17 | C19 | 126.3° | 120.5° |
| C17 | C13 | C14 | 123.6° | 120.9° |
| C17 | C19 | C20 | 125.6° | 126.2° |
| C17 | C19 | N24 | 126.7° | 126.1° |
| C13 | C14 | C15 | 138.3° | 117.5° |
| C13 | C14 | C16 | 110.5° | 117.6° |
| C13 | C14 | H1 | 110.6° | 115.5° |
| C20 | C19 | N24 | 107.7° | 107.8° |
| C19 | C20 | N21 | 107.5° | 106.7° |
| C19 | C20 | H13 | 126.3° | 126.6° |
| C19 | N24 | C23 | 108.3° | 109.1° |
| C20 | N21 | C22 | 126.1° | 126.3° |
| C20 | N21 | C23 | 109.0° | 107.4° |
| N21 | C20 | H13 | 126.2° | 126.7° |
| N24 | C23 | N21 | 107.5° | 109.0° |
| N24 | C23 | H17 | 126.2° | 125.5° |
| C22 | N21 | C23 | 124.9° | 126.3° |
| N21 | C22 | H14 | 109.5° | 109.5° |
| N21 | C22 | H15 | 109.5° | 109.5° |
| N21 | C22 | H16 | 109.5° | 109.5° |
| N21 | C23 | H17 | 126.3° | 125.5° |
| C15 | C14 | C16 | 59.5° | 60.0° |
| C14 | C15 | C16 | 60.3° | 60.0° |
| C15 | C14 | H1 | 110.6° | 117.5° |
| C14 | C15 | H9 | 120.0° | 117.6° |
| C14 | C15 | H10 | 120.0° | 117.5° |
| C14 | C16 | C15 | 60.2° | 60.0° |
| C16 | C14 | H1 | 110.6° | 117.5° |
| C14 | C16 | H11 | 119.9° | 117.6° |
| C14 | C16 | H12 | 120.0° | 117.4° |
| C16 | C15 | H9 | 119.9° | 117.5° |
| C16 | C15 | H10 | 119.9° | 117.5° |
| C15 | C16 | H11 | 119.9° | 117.6° |
| C15 | C16 | H12 | 120.0° | 117.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 115.5° |
| H11 | C16 | H12 | 109.5° | 115.5° |
| H14 | C22 | H15 | 109.4° | 109.4° |
| H14 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H20 | C34 | H21 | 109.4° | 109.4° |
| H20 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | S33 | C34 | O36 | 113.4° | 136.8° |
| O35 | S33 | C34 | C29 | 123.3° | 111.6° |
| O35 | S33 | O36 | C29 | 116.4° | 116.8° |
| O35 | S33 | C29 | C30 | 77.2° | 153.9° |
| O35 | S33 | C29 | C28 | 102.7° | 26.3° |
| O35 | S33 | C34 | H20 | 180.0° | 68.4° |
| O35 | S33 | C34 | H21 | 60.0° | 171.7° |
| O35 | S33 | C34 | H22 | 60.0° | 51.6° |
| C34 | S33 | O36 | C29 | 124.5° | 111.7° |
| C34 | S33 | C29 | C30 | 46.7° | 90.0° |
| C34 | S33 | C29 | C28 | 133.5° | 89.8° |
| S33 | C34 | H20 | H21 | 120.0° | 120.0° |
| S33 | C34 | H20 | H22 | 120.0° | 120.0° |
| S33 | C34 | H21 | H22 | 120.0° | 120.1° |
| O36 | S33 | C29 | C30 | 172.0° | 26.0° |
| O36 | S33 | C29 | C28 | 8.1° | 154.2° |
| O36 | S33 | C34 | H20 | 66.6° | 68.4° |
| O36 | S33 | C34 | H21 | 53.4° | 51.6° |
| O36 | S33 | C34 | H22 | 173.4° | 171.6° |
| S33 | C29 | C30 | C28 | 179.9° | 179.8° |
| S33 | C29 | C30 | C31 | 179.7° | 180.0° |
| S33 | C29 | C28 | C26 | 179.7° | 179.8° |
| S33 | C29 | C28 | H18 | 0.3° | 0.2° |
| S33 | C29 | C30 | H19 | 0.4° | 0.3° |
| C29 | S33 | C34 | H20 | 56.7° | 180.0° |
| C29 | S33 | C34 | H21 | 176.7° | 60.0° |
| C29 | S33 | C34 | H22 | 63.3° | 60.0° |
| C29 | C30 | C31 | H19 | 180.0° | 179.7° |
| C30 | C29 | C28 | C26 | 0.2° | 0.0° |
| C29 | C30 | C31 | F32 | 180.0° | 180.0° |
| C29 | C30 | C31 | C25 | 0.0° | 0.5° |
| C30 | C29 | C28 | H18 | 179.8° | 179.9° |
| C28 | C29 | C30 | C31 | 0.2° | 0.3° |
| C29 | C28 | C26 | H18 | 180.0° | 179.9° |
| C29 | C28 | C26 | C25 | 0.2° | 0.0° |
| C29 | C28 | C26 | F27 | 179.9° | 180.0° |
| C28 | C29 | C30 | H19 | 179.8° | 179.9° |
| C30 | C31 | F32 | C25 | 179.9° | 179.5° |
| C30 | C31 | C25 | C26 | 0.4° | 0.5° |
| C30 | C31 | C25 | N02 | 179.8° | 179.7° |
| C28 | C26 | C25 | C31 | 0.4° | 0.2° |
| C28 | C26 | C25 | F27 | 179.9° | 180.0° |
| C28 | C26 | C25 | N02 | 179.8° | 180.0° |
| F32 | C31 | C25 | C26 | 179.7° | 180.0° |
| F32 | C31 | C25 | N02 | 0.1° | 0.2° |
| F32 | C31 | C30 | H19 | 0.0° | 0.3° |
| C31 | C25 | C26 | N02 | 179.8° | 179.7° |
| C31 | C25 | C26 | F27 | 179.6° | 179.8° |
| C31 | C25 | N02 | C01 | 111.0° | 90.3° |
| C31 | C25 | N02 | C03 | 63.1° | 89.7° |
| C25 | C31 | C30 | H19 | 180.0° | 179.8° |
| C10 | C09 | N11 | C08 | 179.4° | 180.0° |
| C10 | C09 | N11 | N12 | 179.4° | 179.8° |
| C10 | C09 | C08 | C07 | 179.5° | 180.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H4 | 120.0° | 119.9° |
| C09 | C10 | H3 | H4 | 120.0° | 119.9° |
| C10 | C09 | C08 | H8 | 0.5° | 0.1° |
| C10 | C09 | N11 | H24 | 0.6° | 0.0° |
| C26 | C25 | N02 | C01 | 69.2° | 90.0° |
| C26 | C25 | N02 | C03 | 116.7° | 90.0° |
| C25 | C26 | C28 | H18 | 179.9° | 180.0° |
| F27 | C26 | C25 | N02 | 0.2° | 0.0° |
| F27 | C26 | C28 | H18 | 0.1° | 0.0° |
| C25 | N02 | C01 | C03 | 174.0° | 180.0° |
| C25 | N02 | C03 | N04 | 24.2° | 0.0° |
| C25 | N02 | C03 | N18 | 155.7° | 179.7° |
| C25 | N02 | C01 | H5 | 180.0° | 90.0° |
| C25 | N02 | C01 | H6 | 60.0° | 150.0° |
| C25 | N02 | C01 | H7 | 60.0° | 30.0° |
| C09 | N11 | N12 | H24 | 180.0° | 179.8° |
| N11 | C09 | C08 | C07 | 0.1° | 0.0° |
| C09 | N11 | N12 | C07 | 0.2° | 0.3° |
| N11 | C09 | C10 | H2 | 89.7° | 89.9° |
| N11 | C09 | C10 | H3 | 150.3° | 150.0° |
| N11 | C09 | C10 | H4 | 30.3° | 30.0° |
| N11 | C09 | C08 | H8 | 179.9° | 180.0° |
| C08 | C09 | N11 | N12 | 0.1° | 0.2° |
| C09 | C08 | C07 | H8 | 180.0° | 179.9° |
| C09 | C08 | C07 | N12 | 0.2° | 0.2° |
| C09 | C08 | C07 | N06 | 179.4° | 180.0° |
| C08 | C09 | C10 | H2 | 89.6° | 90.0° |
| C08 | C09 | C10 | H3 | 30.3° | 30.0° |
| C08 | C09 | C10 | H4 | 150.4° | 150.0° |
| C08 | C09 | N11 | H24 | 179.9° | 180.0° |
| C01 | N02 | C03 | N04 | 161.6° | 180.0° |
| C01 | N02 | C03 | N18 | 18.5° | 0.3° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H7 | 120.0° | 120.0° |
| N02 | C01 | H6 | H7 | 120.0° | 120.0° |
| N02 | C03 | N04 | N18 | 179.9° | 179.7° |
| N02 | C03 | N04 | C05 | 180.0° | 180.0° |
| N02 | C03 | N18 | C17 | 179.5° | 180.0° |
| C03 | N02 | C01 | H5 | 6.0° | 90.0° |
| C03 | N02 | C01 | H6 | 114.0° | 29.9° |
| C03 | N02 | C01 | H7 | 126.0° | 150.0° |
| N11 | N12 | C07 | C08 | 0.2° | 0.3° |
| N11 | N12 | C07 | N06 | 179.5° | 179.9° |
| C08 | C07 | N12 | N06 | 179.3° | 179.8° |
| C08 | C07 | N06 | C05 | 44.1° | 0.0° |
| C08 | C07 | N06 | H23 | 135.9° | 180.0° |
| N04 | C03 | N18 | C17 | 0.7° | 0.3° |
| C03 | N04 | C05 | N06 | 179.8° | 179.9° |
| C03 | N04 | C05 | C13 | 0.0° | 0.0° |
| N18 | C03 | N04 | C05 | 0.1° | 0.3° |
| C03 | N18 | C17 | C13 | 1.0° | 0.1° |
| C03 | N18 | C17 | C19 | 179.1° | 179.9° |
| N04 | C05 | N06 | C07 | 28.2° | 5.9° |
| N04 | C05 | N06 | C13 | 179.8° | 179.9° |
| N04 | C05 | C13 | C17 | 0.4° | 0.3° |
| N04 | C05 | C13 | C14 | 178.8° | 179.9° |
| N04 | C05 | N06 | H23 | 151.8° | 174.0° |
| N12 | C07 | N06 | C05 | 136.8° | 179.7° |
| N12 | C07 | C08 | H8 | 179.8° | 179.8° |
| N12 | C07 | N06 | H23 | 43.2° | 0.3° |
| C07 | N12 | N11 | H24 | 179.8° | 179.9° |
| C07 | N06 | C05 | H23 | 180.0° | 180.0° |
| C07 | N06 | C05 | C13 | 151.6° | 174.0° |
| N06 | C07 | C08 | H8 | 0.6° | 0.1° |
| N18 | C17 | C13 | C05 | 0.9° | 0.2° |
| N18 | C17 | C13 | C19 | 177.9° | 180.0° |
| N18 | C17 | C13 | C14 | 179.2° | 180.0° |
| N18 | C17 | C19 | C20 | 23.7° | 25.0° |
| N18 | C17 | C19 | N24 | 152.7° | 154.7° |
| N06 | C05 | C13 | C17 | 179.8° | 179.8° |
| N06 | C05 | C13 | C14 | 1.4° | 0.0° |
| C05 | C13 | C17 | C14 | 178.3° | 179.8° |
| C05 | C13 | C17 | C19 | 178.8° | 179.8° |
| C05 | C13 | C14 | C15 | 47.9° | 116.9° |
| C05 | C13 | C14 | C16 | 114.6° | 48.2° |
| C05 | C13 | C14 | H1 | 122.6° | 97.5° |
| C13 | C05 | N06 | H23 | 28.4° | 6.0° |
| C13 | C17 | C19 | C20 | 158.4° | 155.0° |
| C13 | C17 | C19 | N24 | 25.2° | 25.3° |
| C17 | C13 | C14 | C15 | 130.4° | 63.3° |
| C17 | C13 | C14 | C16 | 63.7° | 132.0° |
| C17 | C13 | C14 | H1 | 59.0° | 82.3° |
| C19 | C17 | C13 | C14 | 2.9° | 0.0° |
| C17 | C19 | C20 | N24 | 177.0° | 179.8° |
| C17 | C19 | C20 | N21 | 178.4° | 180.0° |
| C17 | C19 | N24 | C23 | 178.5° | 179.9° |
| C17 | C19 | C20 | H13 | 1.5° | 0.0° |
| C13 | C14 | C15 | C16 | 87.1° | 107.6° |
| C13 | C14 | C15 | H1 | 170.6° | 145.0° |
| C13 | C14 | C16 | H1 | 122.7° | 145.0° |
| C13 | C14 | C15 | H9 | 22.5° | 0.1° |
| C13 | C14 | C15 | H10 | 163.4° | 145.0° |
| C13 | C14 | C16 | H11 | 115.6° | 145.0° |
| C13 | C14 | C16 | H12 | 25.3° | 0.0° |
| C19 | C20 | N21 | H13 | 180.0° | 180.0° |
| C20 | C19 | N24 | C23 | 1.5° | 0.3° |
| C19 | C20 | N21 | C22 | 179.0° | 180.0° |
| C19 | C20 | N21 | C23 | 0.7° | 0.0° |
| N24 | C19 | C20 | N21 | 1.4° | 0.2° |
| C19 | N24 | C23 | N21 | 1.1° | 0.3° |
| N24 | C19 | C20 | H13 | 178.6° | 179.8° |
| C19 | N24 | C23 | H17 | 178.9° | 179.8° |
| C20 | N21 | C23 | N24 | 0.2° | 0.2° |
| C20 | N21 | C22 | C23 | 179.8° | 180.0° |
| C20 | N21 | C22 | H14 | 180.0° | 90.1° |
| C20 | N21 | C22 | H15 | 60.0° | 150.0° |
| C20 | N21 | C22 | H16 | 60.0° | 29.9° |
| C20 | N21 | C23 | H17 | 179.8° | 179.9° |
| N24 | C23 | N21 | C22 | 180.0° | 179.8° |
| N24 | C23 | N21 | H17 | 180.0° | 179.9° |
| C22 | N21 | C20 | H13 | 1.0° | 0.0° |
| N21 | C22 | H14 | H15 | 120.0° | 120.0° |
| N21 | C22 | H14 | H16 | 120.0° | 120.0° |
| N21 | C22 | H15 | H16 | 120.0° | 120.1° |
| C22 | N21 | C23 | H17 | 0.0° | 0.1° |
| C23 | N21 | C20 | H13 | 179.2° | 180.0° |
| C23 | N21 | C22 | H14 | 0.2° | 90.0° |
| C23 | N21 | C22 | H15 | 120.2° | 30.0° |
| C23 | N21 | C22 | H16 | 119.8° | 150.1° |
| C15 | C14 | C16 | H1 | 102.4° | 107.5° |
| C14 | C15 | C16 | H9 | 109.6° | 107.5° |
| C14 | C15 | C16 | H10 | 109.6° | 107.5° |
| C14 | C15 | H9 | H10 | 144.6° | 145.7° |
| C15 | C14 | C16 | H11 | 109.5° | 107.6° |
| C15 | C14 | C16 | H12 | 109.5° | 107.5° |
| C14 | C16 | H11 | H12 | 144.6° | 145.6° |
| C16 | C15 | H9 | H10 | 144.5° | 145.6° |
| C15 | C16 | H11 | H12 | 144.6° | 145.7° |
| H1 | C14 | C15 | H9 | 148.1° | 145.0° |
| H1 | C14 | C15 | H10 | 7.2° | 0.0° |
| H1 | C14 | C16 | H11 | 7.1° | 0.1° |
| H1 | C14 | C16 | H12 | 148.1° | 145.0° |
| H2 | C10 | H3 | H4 | 120.0° | 120.1° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H9 | C15 | C16 | H11 | 140.9° | 144.9° |
| H9 | C15 | C16 | H12 | 0.0° | 0.1° |
| H10 | C15 | C16 | H11 | 0.1° | 0.0° |
| H10 | C15 | C16 | H12 | 140.9° | 145.1° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H20 | C34 | H21 | H22 | 120.0° | 120.0° |
