1BE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C1 | sing | 1.74Å | 1.78Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.39Å | Aromatic |
| N25 | C24 | sing | 1.35Å | 1.35Å | Aromatic |
| O8 | C7 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N26 | C29 | doub | 1.31Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C12 | sing | 1.48Å | 1.49Å | |
| C24 | C23 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.50Å | |
| N13 | C12 | sing | 1.38Å | 1.33Å | |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| C7 | C14 | sing | 1.51Å | 1.50Å | |
| C7 | O9 | sing | 1.34Å | 1.26Å | |
| C12 | N11 | doub | 1.30Å | 1.28Å | |
| C29 | C23 | sing | 1.41Å | 1.37Å | Aromatic |
| C23 | C13 | sing | 1.49Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C15 | C11 | sing | 1.51Å | 1.51Å | |
| N11 | C10 | sing | 1.46Å | 1.47Å | |
| C13 | C11 | sing | 1.39Å | 1.50Å | Aromatic |
| C13 | C16 | doub | 1.34Å | 1.39Å | Aromatic |
| C10 | C28 | sing | 1.53Å | 1.53Å | |
| C10 | C27 | sing | 1.53Å | 1.54Å | |
| C11 | C18 | doub | 1.33Å | 1.48Å | Aromatic |
| C16 | S17 | sing | 1.76Å | 1.73Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | S17 | sing | 1.76Å | 1.76Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O9 | H16 | sing | 0.97Å | 0.95Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| N25 | H26 | sing | 0.97Å | 1.00Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C1 | C6 | 119.6° | 119.8° |
| CL1 | C1 | C2 | 119.3° | 119.8° |
| C1 | C6 | C5 | 120.3° | 120.2° |
| C6 | C1 | C2 | 121.1° | 120.4° |
| C1 | C6 | H1 | 119.9° | 119.9° |
| C6 | C5 | C4 | 119.2° | 119.6° |
| C5 | C6 | H1 | 119.8° | 119.9° |
| C6 | C5 | H2 | 120.4° | 120.2° |
| C1 | C2 | C3 | 118.1° | 119.8° |
| C1 | C2 | H11 | 120.9° | 120.1° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C5 | C4 | C12 | 120.9° | 121.4° |
| C4 | C5 | H2 | 120.4° | 120.2° |
| N26 | N25 | C24 | 110.3° | 108.2° |
| N25 | N26 | C29 | 108.1° | 108.5° |
| N26 | N25 | H26 | 124.8° | 125.9° |
| N25 | C24 | C23 | 104.2° | 107.6° |
| N25 | C24 | H25 | 127.9° | 126.2° |
| C24 | N25 | H26 | 124.9° | 126.0° |
| O8 | C7 | C14 | 114.8° | 120.0° |
| O8 | C7 | O9 | 125.4° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | C9 | 119.5° | 121.2° |
| C3 | C2 | H11 | 121.0° | 120.0° |
| N26 | C29 | C23 | 104.9° | 108.1° |
| N26 | C29 | H27 | 127.6° | 126.0° |
| C3 | C4 | C12 | 118.9° | 118.6° |
| C4 | C3 | C9 | 119.4° | 118.8° |
| C4 | C12 | N13 | 119.7° | 120.2° |
| C4 | C12 | N11 | 118.1° | 119.6° |
| C24 | C23 | C29 | 112.5° | 107.6° |
| C24 | C23 | C13 | 125.0° | 126.2° |
| C23 | C24 | H25 | 127.9° | 126.2° |
| C3 | C9 | C10 | 110.7° | 109.6° |
| C3 | C9 | H9 | 109.2° | 109.5° |
| C3 | C9 | H10 | 109.2° | 109.4° |
| C12 | N13 | C14 | 124.4° | 120.0° |
| N13 | C12 | N11 | 122.1° | 120.2° |
| C12 | N13 | H12 | 117.8° | 120.0° |
| N13 | C14 | C7 | 112.3° | 109.4° |
| N13 | C14 | C15 | 109.1° | 109.4° |
| C14 | N13 | H12 | 117.8° | 120.1° |
| N13 | C14 | H13 | 109.2° | 109.5° |
| C14 | C7 | O9 | 119.7° | 120.0° |
| C7 | C14 | C15 | 108.9° | 109.5° |
| C7 | C14 | H13 | 108.8° | 109.4° |
| C7 | O9 | H16 | 109.5° | 117.0° |
| C12 | N11 | C10 | 124.6° | 122.0° |
| C29 | C23 | C13 | 122.5° | 126.1° |
| C23 | C29 | H27 | 127.5° | 125.9° |
| C23 | C13 | C11 | 121.2° | 122.7° |
| C23 | C13 | C16 | 119.4° | 122.7° |
| C14 | C15 | C11 | 106.2° | 109.5° |
| C15 | C14 | H13 | 108.6° | 109.5° |
| C14 | C15 | H14 | 110.3° | 109.5° |
| C14 | C15 | H15 | 110.3° | 109.5° |
| C9 | C10 | N11 | 112.7° | 111.2° |
| C9 | C10 | C28 | 106.1° | 109.1° |
| C9 | C10 | C27 | 108.0° | 109.1° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C10 | C9 | H10 | 109.1° | 109.5° |
| C15 | C11 | C13 | 128.7° | 122.6° |
| C15 | C11 | C18 | 122.2° | 122.5° |
| C11 | C15 | H14 | 110.3° | 109.5° |
| C11 | C15 | H15 | 110.3° | 109.4° |
| N11 | C10 | C28 | 110.7° | 109.1° |
| N11 | C10 | C27 | 109.9° | 109.1° |
| C11 | C13 | C16 | 119.5° | 114.6° |
| C13 | C11 | C18 | 109.1° | 114.9° |
| C13 | C16 | S17 | 104.8° | 109.6° |
| C13 | C16 | H17 | 127.6° | 125.2° |
| C28 | C10 | C27 | 109.2° | 109.2° |
| C10 | C28 | H3 | 109.5° | 109.5° |
| C10 | C28 | H4 | 109.5° | 109.4° |
| C10 | C28 | H5 | 109.5° | 109.5° |
| C10 | C27 | H6 | 109.5° | 109.5° |
| C10 | C27 | H7 | 109.5° | 109.5° |
| C10 | C27 | H8 | 109.5° | 109.4° |
| C11 | C18 | C19 | 128.8° | 125.1° |
| C11 | C18 | S17 | 106.4° | 109.9° |
| C16 | S17 | C18 | 100.2° | 91.1° |
| S17 | C16 | H17 | 127.6° | 125.2° |
| C19 | C18 | S17 | 124.9° | 125.0° |
| C18 | C19 | C20 | 111.8° | 109.4° |
| C18 | C19 | H18 | 108.9° | 109.4° |
| C18 | C19 | H19 | 108.9° | 109.4° |
| C19 | C20 | C21 | 109.4° | 109.4° |
| C20 | C19 | H18 | 108.9° | 109.5° |
| C20 | C19 | H19 | 108.9° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C21 | C20 | H20 | 109.5° | 109.5° |
| C21 | C20 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.4° |
| H3 | C28 | H4 | 109.4° | 109.4° |
| H3 | C28 | H5 | 109.5° | 109.5° |
| H4 | C28 | H5 | 109.5° | 109.5° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H6 | C27 | H8 | 109.5° | 109.5° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C1 | C6 | C2 | 178.1° | 179.8° |
| CL1 | C1 | C6 | C5 | 179.0° | 180.0° |
| CL1 | C1 | C2 | C3 | 179.2° | 179.7° |
| CL1 | C1 | C6 | H1 | 1.0° | 0.0° |
| CL1 | C1 | C2 | H11 | 0.9° | 0.0° |
| C1 | C6 | C5 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C1 | C2 | C3 | 1.0° | 0.5° |
| C1 | C6 | C5 | H2 | 179.8° | 180.0° |
| C6 | C1 | C2 | H11 | 179.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.9° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.2° |
| C6 | C5 | C4 | C12 | 178.4° | 179.9° |
| C1 | C2 | C3 | H11 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.5° | 0.6° |
| C1 | C2 | C3 | C9 | 179.4° | 179.7° |
| C2 | C1 | C6 | H1 | 179.1° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.4° |
| C5 | C4 | C3 | C12 | 178.1° | 180.0° |
| C5 | C4 | C3 | C9 | 180.0° | 179.9° |
| C5 | C4 | C12 | N13 | 20.3° | 18.6° |
| C5 | C4 | C12 | N11 | 157.6° | 161.3° |
| C4 | C5 | C6 | H1 | 179.8° | 180.0° |
| N26 | N25 | C24 | H26 | 180.0° | 179.8° |
| N26 | N25 | C24 | C23 | 0.9° | 0.0° |
| N25 | N26 | C29 | C23 | 0.5° | 0.4° |
| N26 | N25 | C24 | H25 | 179.1° | 180.0° |
| N25 | N26 | C29 | H27 | 179.5° | 180.0° |
| C24 | N25 | N26 | C29 | 0.3° | 0.2° |
| N25 | C24 | C23 | H25 | 180.0° | 180.0° |
| N25 | C24 | C23 | C29 | 1.2° | 0.2° |
| N25 | C24 | C23 | C13 | 178.2° | 180.0° |
| O8 | C7 | C14 | N13 | 11.4° | 0.0° |
| O8 | C7 | C14 | O9 | 178.8° | 180.0° |
| O8 | C7 | C14 | C15 | 109.5° | 120.0° |
| O8 | C7 | C14 | H13 | 132.3° | 120.0° |
| O8 | C7 | O9 | H16 | 0.0° | 0.0° |
| C2 | C3 | C4 | C9 | 179.9° | 179.7° |
| C2 | C3 | C4 | C12 | 178.3° | 179.6° |
| C2 | C3 | C9 | C10 | 147.4° | 146.8° |
| C2 | C3 | C9 | H9 | 92.4° | 26.7° |
| C2 | C3 | C9 | H10 | 27.3° | 93.2° |
| N26 | C29 | C23 | C24 | 1.1° | 0.4° |
| N26 | C29 | C23 | H27 | 180.0° | 179.7° |
| N26 | C29 | C23 | C13 | 178.2° | 179.8° |
| C29 | N26 | N25 | H26 | 179.7° | 180.0° |
| C3 | C4 | C12 | N13 | 161.6° | 161.4° |
| C3 | C4 | C12 | N11 | 20.5° | 18.6° |
| C4 | C3 | C9 | C10 | 32.7° | 33.5° |
| C3 | C4 | C5 | H2 | 179.7° | 179.9° |
| C4 | C3 | C9 | H9 | 87.5° | 153.5° |
| C4 | C3 | C9 | H10 | 152.8° | 86.5° |
| C4 | C3 | C2 | H11 | 179.5° | 179.7° |
| C12 | C4 | C3 | C9 | 1.8° | 0.1° |
| C4 | C12 | N13 | N11 | 177.8° | 180.0° |
| C4 | C12 | N13 | C14 | 167.9° | 180.0° |
| C4 | C12 | N11 | C10 | 8.2° | 1.3° |
| C12 | C4 | C5 | H2 | 1.6° | 0.1° |
| C4 | C12 | N13 | H12 | 12.2° | 0.0° |
| C24 | C23 | C29 | C13 | 177.1° | 179.8° |
| C24 | C23 | C13 | C11 | 43.3° | 130.0° |
| C24 | C23 | C13 | C16 | 137.0° | 50.0° |
| C23 | C24 | N25 | H26 | 179.1° | 179.7° |
| C24 | C23 | C29 | H27 | 178.9° | 179.9° |
| C3 | C9 | C10 | H9 | 120.2° | 120.1° |
| C3 | C9 | C10 | H10 | 120.2° | 120.0° |
| C3 | C9 | C10 | N11 | 42.6° | 50.2° |
| C3 | C9 | C10 | C28 | 78.8° | 70.2° |
| C3 | C9 | C10 | C27 | 164.2° | 170.6° |
| C3 | C9 | H9 | H10 | 119.5° | 119.9° |
| C9 | C3 | C2 | H11 | 0.6° | 0.0° |
| C12 | N13 | C14 | H12 | 180.0° | 179.9° |
| C12 | N13 | C14 | C7 | 138.7° | 111.8° |
| C12 | N13 | C14 | C15 | 100.5° | 128.3° |
| N13 | C12 | N11 | C10 | 173.9° | 178.7° |
| C12 | N13 | C14 | H13 | 18.0° | 8.2° |
| N13 | C14 | C7 | C15 | 120.9° | 119.9° |
| N13 | C14 | C7 | H13 | 120.9° | 120.0° |
| N13 | C14 | C7 | O9 | 167.4° | 180.0° |
| C14 | N13 | C12 | N11 | 10.0° | 0.1° |
| N13 | C14 | C15 | H13 | 118.9° | 120.0° |
| N13 | C14 | C15 | C11 | 82.7° | 65.5° |
| N13 | C14 | C15 | H14 | 36.8° | 54.5° |
| N13 | C14 | C15 | H15 | 157.8° | 174.5° |
| C7 | C14 | C15 | H13 | 118.3° | 120.0° |
| C7 | C14 | C15 | C11 | 154.4° | 174.5° |
| C7 | C14 | N13 | H12 | 41.3° | 68.2° |
| C7 | C14 | C15 | H14 | 86.1° | 65.4° |
| C7 | C14 | C15 | H15 | 35.0° | 54.6° |
| C14 | C7 | O9 | H16 | 178.6° | 180.0° |
| O9 | C7 | C14 | C15 | 71.7° | 60.0° |
| O9 | C7 | C14 | H13 | 46.5° | 60.0° |
| C12 | N11 | C10 | C9 | 24.3° | 36.5° |
| C12 | N11 | C10 | C28 | 94.5° | 83.9° |
| C12 | N11 | C10 | C27 | 144.8° | 156.9° |
| N11 | C12 | N13 | H12 | 170.0° | 180.0° |
| C29 | C23 | C13 | C11 | 133.4° | 50.3° |
| C29 | C23 | C13 | C16 | 46.2° | 129.7° |
| C29 | C23 | C24 | H25 | 178.8° | 179.8° |
| C23 | C13 | C11 | C15 | 1.3° | 0.0° |
| C23 | C13 | C11 | C16 | 179.7° | 180.0° |
| C23 | C13 | C11 | C18 | 179.1° | 179.7° |
| C23 | C13 | C16 | S17 | 179.8° | 180.0° |
| C23 | C13 | C16 | H17 | 0.2° | 0.0° |
| C13 | C23 | C24 | H25 | 1.8° | 0.0° |
| C13 | C23 | C29 | H27 | 1.8° | 0.2° |
| C14 | C15 | C11 | H14 | 119.5° | 120.0° |
| C14 | C15 | C11 | H15 | 119.5° | 120.0° |
| C14 | C15 | C11 | C13 | 105.2° | 84.5° |
| C14 | C15 | C11 | C18 | 75.2° | 95.3° |
| C15 | C14 | N13 | H12 | 79.5° | 51.8° |
| C14 | C15 | H14 | H15 | 121.5° | 120.0° |
| C9 | C10 | N11 | C28 | 118.7° | 120.4° |
| C9 | C10 | N11 | C27 | 120.6° | 120.4° |
| C9 | C10 | C28 | C27 | 116.2° | 119.1° |
| C9 | C10 | C28 | H3 | 180.0° | 178.2° |
| C9 | C10 | C28 | H4 | 60.0° | 58.3° |
| C9 | C10 | C28 | H5 | 60.0° | 61.7° |
| C9 | C10 | C27 | H6 | 180.0° | 61.7° |
| C9 | C10 | C27 | H7 | 60.0° | 58.3° |
| C9 | C10 | C27 | H8 | 60.0° | 178.3° |
| C10 | C9 | H9 | H10 | 119.4° | 120.0° |
| C15 | C11 | C13 | C18 | 179.6° | 179.7° |
| C15 | C11 | C13 | C16 | 179.0° | 180.0° |
| C15 | C11 | C18 | C19 | 1.5° | 0.0° |
| C15 | C11 | C18 | S17 | 178.7° | 179.9° |
| C11 | C15 | C14 | H13 | 36.2° | 54.5° |
| C11 | C15 | H14 | H15 | 121.5° | 120.0° |
| N11 | C10 | C28 | C27 | 121.1° | 119.2° |
| N11 | C10 | C28 | H3 | 57.4° | 60.1° |
| N11 | C10 | C28 | H4 | 177.3° | 180.0° |
| N11 | C10 | C28 | H5 | 62.6° | 60.0° |
| N11 | C10 | C27 | H6 | 56.6° | 60.0° |
| N11 | C10 | C27 | H7 | 63.4° | 180.0° |
| N11 | C10 | C27 | H8 | 176.6° | 60.0° |
| N11 | C10 | C9 | H9 | 77.6° | 170.3° |
| N11 | C10 | C9 | H10 | 162.8° | 69.8° |
| C11 | C13 | C16 | S17 | 0.1° | 0.0° |
| C13 | C11 | C18 | C19 | 178.9° | 179.7° |
| C13 | C11 | C18 | S17 | 0.9° | 0.4° |
| C13 | C11 | C15 | H14 | 14.2° | 155.5° |
| C13 | C11 | C15 | H15 | 135.3° | 35.5° |
| C11 | C13 | C16 | H17 | 179.9° | 180.0° |
| C16 | C13 | C11 | C18 | 0.6° | 0.2° |
| C13 | C16 | S17 | H17 | 180.0° | 180.0° |
| C13 | C16 | S17 | C18 | 0.6° | 0.2° |
| C10 | C28 | H3 | H4 | 120.0° | 119.9° |
| C10 | C28 | H3 | H5 | 120.0° | 120.1° |
| C10 | C28 | H4 | H5 | 120.0° | 120.1° |
| C28 | C10 | C27 | H6 | 65.0° | 179.1° |
| C28 | C10 | C27 | H7 | 175.0° | 60.8° |
| C28 | C10 | C27 | H8 | 55.0° | 59.2° |
| C28 | C10 | C9 | H9 | 161.0° | 49.8° |
| C28 | C10 | C9 | H10 | 41.4° | 169.8° |
| C27 | C10 | C28 | H3 | 63.7° | 59.1° |
| C27 | C10 | C28 | H4 | 56.2° | 60.8° |
| C27 | C10 | C28 | H5 | 176.3° | 179.2° |
| C10 | C27 | H6 | H7 | 120.0° | 120.0° |
| C10 | C27 | H6 | H8 | 120.0° | 119.9° |
| C10 | C27 | H7 | H8 | 120.0° | 119.9° |
| C27 | C10 | C9 | H9 | 44.0° | 69.3° |
| C27 | C10 | C9 | H10 | 75.6° | 50.7° |
| C11 | C18 | S17 | C16 | 0.9° | 0.3° |
| C11 | C18 | C19 | S17 | 179.8° | 179.9° |
| C11 | C18 | C19 | C20 | 175.2° | 96.0° |
| C18 | C11 | C15 | H14 | 165.3° | 24.8° |
| C18 | C11 | C15 | H15 | 44.3° | 144.8° |
| C11 | C18 | C19 | H18 | 64.5° | 144.0° |
| C11 | C18 | C19 | H19 | 54.8° | 24.0° |
| C16 | S17 | C18 | C19 | 178.9° | 179.7° |
| C18 | C19 | C20 | H18 | 120.3° | 120.0° |
| C18 | C19 | C20 | H19 | 120.3° | 119.9° |
| C18 | C19 | C20 | C21 | 160.6° | 180.0° |
| C18 | C19 | H18 | H19 | 118.9° | 119.9° |
| C18 | C19 | C20 | H20 | 79.4° | 60.0° |
| C18 | C19 | C20 | H21 | 40.6° | 60.1° |
| S17 | C18 | C19 | C20 | 4.6° | 84.0° |
| C18 | S17 | C16 | H17 | 179.4° | 179.8° |
| S17 | C18 | C19 | H18 | 115.7° | 36.1° |
| S17 | C18 | C19 | H19 | 124.9° | 156.1° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H21 | 120.0° | 119.9° |
| C20 | C19 | H18 | H19 | 119.0° | 120.1° |
| C19 | C20 | H20 | H21 | 120.0° | 120.0° |
| C19 | C20 | C21 | H22 | 180.0° | 60.0° |
| C19 | C20 | C21 | H23 | 60.0° | 60.1° |
| C19 | C20 | C21 | H24 | 60.0° | 180.0° |
| C21 | C20 | C19 | H18 | 40.3° | 60.0° |
| C21 | C20 | C19 | H19 | 79.1° | 60.1° |
| C21 | C20 | H20 | H21 | 120.0° | 120.0° |
| C20 | C21 | H22 | H23 | 120.0° | 120.0° |
| C20 | C21 | H22 | H24 | 120.0° | 120.0° |
| C20 | C21 | H23 | H24 | 120.0° | 119.9° |
| H1 | C6 | C5 | H2 | 0.2° | 0.0° |
| H3 | C28 | H4 | H5 | 120.0° | 120.0° |
| H6 | C27 | H7 | H8 | 120.0° | 120.0° |
| H12 | N13 | C14 | H13 | 162.0° | 171.9° |
| H13 | C14 | C15 | H14 | 155.6° | 174.6° |
| H13 | C14 | C15 | H15 | 83.3° | 65.4° |
| H18 | C19 | C20 | H20 | 160.3° | 179.9° |
| H18 | C19 | C20 | H21 | 79.7° | 59.9° |
| H19 | C19 | C20 | H20 | 40.9° | 60.0° |
| H19 | C19 | C20 | H21 | 161.0° | 180.0° |
| H20 | C20 | C21 | H22 | 60.0° | 180.0° |
| H20 | C20 | C21 | H23 | NaN° | 59.9° |
| H20 | C20 | C21 | H24 | 60.0° | 59.9° |
| H21 | C20 | C21 | H22 | 60.0° | 59.9° |
| H21 | C20 | C21 | H23 | 60.0° | 180.0° |
| H21 | C20 | C21 | H24 | 179.9° | 60.1° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H25 | C24 | N25 | H26 | 0.9° | 0.3° |
