2YI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C3 | doub | 1.21Å | 1.25Å | |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C6 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | C5 | sing | 1.51Å | 1.50Å | |
| C2 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | O10 | doub | 1.21Å | 1.22Å | |
| C5 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C11 | sing | 1.40Å | 1.38Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C25 | N26 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| N26 | C29 | sing | 1.47Å | 1.48Å | |
| N26 | C27 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C35 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| N23 | C28 | sing | 1.47Å | 1.45Å | |
| N23 | C21 | sing | 1.35Å | 1.34Å | |
| C13 | C21 | sing | 1.48Å | 1.51Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.53Å | |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| C17 | O19 | doub | 1.21Å | 1.22Å | |
| C17 | O18 | sing | 1.35Å | 1.48Å | |
| O18 | C20 | sing | 1.45Å | 1.44Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | BR1 | sing | 1.89Å | 1.90Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C3 | C2 | 127.6° | 120.0° |
| O9 | C3 | H3 | 116.2° | 119.9° |
| C3 | C2 | C1 | 114.0° | 109.4° |
| C3 | C2 | C5 | 107.8° | 109.5° |
| C3 | C2 | C7 | 114.8° | 109.5° |
| C2 | C3 | H3 | 116.2° | 120.0° |
| C6 | C1 | C2 | 117.5° | 109.5° |
| C6 | C1 | H1 | 107.4° | 109.4° |
| C6 | C1 | H2 | 107.4° | 109.5° |
| C1 | C6 | H4 | 109.5° | 109.5° |
| C1 | C6 | H5 | 109.4° | 109.5° |
| C1 | C6 | H6 | 109.5° | 109.5° |
| C1 | C2 | C5 | 111.2° | 109.4° |
| C1 | C2 | C7 | 101.5° | 109.4° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C2 | C1 | H2 | 107.4° | 109.5° |
| C5 | C2 | C7 | 107.3° | 109.5° |
| C2 | C5 | O10 | 116.8° | 120.0° |
| C2 | C5 | N4 | 119.0° | 120.0° |
| C2 | C7 | C8 | 115.6° | 109.5° |
| C2 | C7 | H7 | 107.9° | 109.4° |
| C2 | C7 | H8 | 107.9° | 109.5° |
| O10 | C5 | N4 | 124.0° | 120.0° |
| C5 | N4 | C11 | 121.9° | 120.0° |
| C5 | N4 | H18 | 119.1° | 120.0° |
| N4 | C11 | C12 | 115.7° | 120.0° |
| N4 | C11 | C16 | 126.1° | 119.9° |
| C11 | N4 | H18 | 119.0° | 120.0° |
| C8 | C7 | H7 | 107.9° | 109.4° |
| C8 | C7 | H8 | 107.9° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.4° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C25 | C24 | N23 | 101.2° | 108.5° |
| C24 | C25 | N26 | 109.3° | 109.4° |
| C25 | C24 | H19 | 111.5° | 109.6° |
| C25 | C24 | H20 | 111.5° | 109.6° |
| C24 | C25 | H21 | 109.6° | 109.4° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | N23 | C28 | 112.8° | 118.3° |
| C24 | N23 | C21 | 122.7° | 120.9° |
| N23 | C24 | H19 | 111.5° | 109.6° |
| N23 | C24 | H20 | 111.5° | 109.6° |
| C25 | N26 | C29 | 106.3° | 111.0° |
| C25 | N26 | C27 | 110.3° | 111.3° |
| N26 | C25 | H21 | 109.5° | 109.5° |
| N26 | C25 | H22 | 109.5° | 109.5° |
| C12 | C11 | C16 | 118.2° | 120.1° |
| C11 | C12 | C13 | 120.8° | 120.1° |
| C11 | C12 | H12 | 119.6° | 119.9° |
| C11 | C16 | C15 | 121.8° | 120.1° |
| C11 | C16 | H13 | 119.1° | 119.9° |
| C12 | C13 | C21 | 119.0° | 120.0° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C13 | C12 | H12 | 119.6° | 120.0° |
| C29 | N26 | C27 | 114.4° | 111.0° |
| N26 | C29 | C30 | 117.2° | 109.5° |
| N26 | C29 | H28 | 107.5° | 109.5° |
| N26 | C29 | H29 | 107.5° | 109.4° |
| N26 | C27 | C28 | 115.0° | 109.4° |
| N26 | C27 | H24 | 108.1° | 109.5° |
| N26 | C27 | H25 | 108.0° | 109.5° |
| C16 | C15 | C14 | 118.2° | 119.9° |
| C16 | C15 | C17 | 122.8° | 120.0° |
| C15 | C16 | H13 | 119.1° | 120.0° |
| C29 | C30 | C35 | 122.4° | 120.0° |
| C29 | C30 | C31 | 117.9° | 120.0° |
| C30 | C29 | H28 | 107.5° | 109.5° |
| C30 | C29 | H29 | 107.5° | 109.5° |
| C30 | C35 | C34 | 120.6° | 120.0° |
| C35 | C30 | C31 | 119.7° | 120.0° |
| C30 | C35 | H33 | 119.7° | 120.0° |
| C35 | C34 | C33 | 119.0° | 119.9° |
| C35 | C34 | H32 | 120.5° | 120.0° |
| C34 | C35 | H33 | 119.7° | 120.0° |
| C28 | N23 | C21 | 124.5° | 120.8° |
| N23 | C28 | C27 | 106.6° | 108.5° |
| N23 | C28 | H26 | 110.2° | 109.6° |
| N23 | C28 | H27 | 110.2° | 109.6° |
| N23 | C21 | C13 | 120.6° | 120.0° |
| N23 | C21 | O22 | 120.6° | 120.0° |
| C21 | C13 | C14 | 120.6° | 120.0° |
| C13 | C21 | O22 | 118.8° | 120.0° |
| C13 | C14 | C15 | 120.6° | 119.9° |
| C13 | C14 | H14 | 119.7° | 120.1° |
| C14 | C15 | C17 | 119.0° | 120.1° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C15 | C17 | O19 | 119.2° | 120.0° |
| C15 | C17 | O18 | 123.5° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C30 | C31 | H30 | 120.0° | 120.0° |
| C34 | C33 | C32 | 120.0° | 120.0° |
| C34 | C33 | BR1 | 123.5° | 120.0° |
| C33 | C34 | H32 | 120.5° | 120.0° |
| C28 | C27 | H24 | 108.0° | 109.5° |
| C28 | C27 | H25 | 108.1° | 109.5° |
| C27 | C28 | H26 | 110.2° | 109.4° |
| C27 | C28 | H27 | 110.2° | 109.9° |
| O19 | C17 | O18 | 117.2° | 120.0° |
| C17 | O18 | C20 | 122.9° | 117.1° |
| O18 | C20 | H15 | 109.5° | 109.5° |
| O18 | C20 | H16 | 109.5° | 109.5° |
| O18 | C20 | H17 | 109.5° | 109.5° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C32 | C31 | H30 | 120.0° | 120.0° |
| C31 | C32 | H31 | 119.7° | 120.0° |
| C32 | C33 | BR1 | 116.5° | 120.0° |
| C33 | C32 | H31 | 119.7° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.4° | 109.4° |
| H9 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H17 | 109.5° | 109.4° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.8° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.8° |
| H28 | C29 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C3 | C2 | H3 | 180.0° | 179.9° |
| O9 | C3 | C2 | C1 | 88.5° | 120.0° |
| O9 | C3 | C2 | C5 | 35.4° | 0.1° |
| O9 | C3 | C2 | C7 | 154.9° | 120.0° |
| C3 | C2 | C1 | C6 | 26.9° | 180.0° |
| C3 | C2 | C1 | C5 | 122.1° | 120.0° |
| C3 | C2 | C1 | C7 | 124.1° | 120.0° |
| C3 | C2 | C5 | C7 | 124.2° | 120.1° |
| C3 | C2 | C5 | O10 | 101.1° | 120.1° |
| C3 | C2 | C5 | N4 | 83.4° | 60.0° |
| C3 | C2 | C7 | C8 | 179.7° | 59.9° |
| C3 | C2 | C1 | H1 | 148.1° | 60.0° |
| C3 | C2 | C1 | H2 | 94.3° | 60.0° |
| C3 | C2 | C7 | H7 | 58.8° | 60.0° |
| C3 | C2 | C7 | H8 | 59.4° | 180.0° |
| C6 | C1 | C2 | H1 | 121.2° | 120.0° |
| C6 | C1 | C2 | H2 | 121.2° | 120.0° |
| C6 | C1 | C2 | C5 | 95.2° | 60.0° |
| C6 | C1 | C2 | C7 | 151.0° | 60.0° |
| C6 | C1 | H1 | H2 | 116.3° | 119.9° |
| C1 | C6 | H4 | H5 | 120.0° | 120.0° |
| C1 | C6 | H4 | H6 | 120.0° | 120.0° |
| C1 | C6 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C5 | C7 | 110.2° | 120.0° |
| C1 | C2 | C5 | O10 | 24.6° | 120.0° |
| C1 | C2 | C5 | N4 | 151.0° | 60.0° |
| C1 | C2 | C7 | C8 | 56.2° | 60.1° |
| C2 | C1 | H1 | H2 | 116.3° | 120.0° |
| C1 | C2 | C3 | H3 | 91.5° | 60.1° |
| C2 | C1 | C6 | H4 | 180.0° | 60.0° |
| C2 | C1 | C6 | H5 | 60.0° | 60.0° |
| C2 | C1 | C6 | H6 | 60.0° | 180.0° |
| C1 | C2 | C7 | H7 | 64.7° | 180.0° |
| C1 | C2 | C7 | H8 | 177.1° | 60.0° |
| C2 | C5 | O10 | N4 | 175.3° | 180.0° |
| C2 | C5 | N4 | C11 | 158.8° | 174.7° |
| C5 | C2 | C7 | C8 | 60.5° | 180.0° |
| C5 | C2 | C1 | H1 | 26.0° | 60.0° |
| C5 | C2 | C1 | H2 | 143.6° | 180.0° |
| C5 | C2 | C3 | H3 | 144.6° | 180.0° |
| C5 | C2 | C7 | H7 | 178.6° | 60.0° |
| C5 | C2 | C7 | H8 | 60.4° | 59.9° |
| C2 | C5 | N4 | H18 | 21.2° | 5.3° |
| C7 | C2 | C5 | O10 | 134.7° | 0.0° |
| C7 | C2 | C5 | N4 | 40.8° | 179.9° |
| C2 | C7 | C8 | H7 | 120.9° | 120.0° |
| C2 | C7 | C8 | H8 | 120.9° | 120.1° |
| C7 | C2 | C1 | H1 | 87.9° | 180.0° |
| C7 | C2 | C1 | H2 | 29.8° | 60.0° |
| C7 | C2 | C3 | H3 | 25.1° | 59.9° |
| C2 | C7 | H7 | H8 | 117.2° | 120.0° |
| C2 | C7 | C8 | H9 | 180.0° | 60.0° |
| C2 | C7 | C8 | H10 | 60.0° | 59.9° |
| C2 | C7 | C8 | H11 | 60.0° | 180.0° |
| O10 | C5 | N4 | C11 | 16.4° | 5.2° |
| O10 | C5 | N4 | H18 | 163.6° | 174.8° |
| C5 | N4 | C11 | H18 | 180.0° | 180.0° |
| C5 | N4 | C11 | C12 | 170.4° | 151.3° |
| C5 | N4 | C11 | C16 | 8.4° | 28.9° |
| N4 | C11 | C12 | C16 | 178.9° | 179.7° |
| N4 | C11 | C12 | C13 | 179.8° | 179.8° |
| N4 | C11 | C16 | C15 | 179.5° | 179.7° |
| N4 | C11 | C12 | H12 | 0.3° | 0.3° |
| N4 | C11 | C16 | H13 | 0.5° | 0.3° |
| C8 | C7 | H7 | H8 | 117.2° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H11 | 120.0° | 120.0° |
| C7 | C8 | H10 | H11 | 120.0° | 120.1° |
| C25 | C24 | N23 | H19 | 118.6° | 119.7° |
| C25 | C24 | N23 | H20 | 118.6° | 119.6° |
| C24 | C25 | N26 | H21 | 120.0° | 119.9° |
| C24 | C25 | N26 | H22 | 120.0° | 120.0° |
| C24 | C25 | N26 | C29 | 176.9° | 172.7° |
| C24 | C25 | N26 | C27 | 58.6° | 63.1° |
| C25 | C24 | N23 | C28 | 72.8° | 51.2° |
| C25 | C24 | N23 | C21 | 106.6° | 128.5° |
| C25 | C24 | H19 | H20 | 123.9° | 120.5° |
| C24 | C25 | H21 | H22 | 120.1° | 120.0° |
| N23 | C24 | C25 | N26 | 68.8° | 53.8° |
| C24 | N23 | C28 | C21 | 179.4° | 179.7° |
| C24 | N23 | C21 | C13 | 70.8° | 4.4° |
| C24 | N23 | C28 | C27 | 61.7° | 51.2° |
| C24 | N23 | C21 | O22 | 106.8° | 175.6° |
| N23 | C24 | H19 | H20 | 123.9° | 120.5° |
| N23 | C24 | C25 | H21 | 171.3° | 173.8° |
| N23 | C24 | C25 | H22 | 51.2° | 66.2° |
| C24 | N23 | C28 | H26 | 178.8° | 170.6° |
| C24 | N23 | C28 | H27 | 57.9° | 68.8° |
| C25 | N26 | C29 | C27 | 121.9° | 124.3° |
| C25 | N26 | C29 | C30 | 166.9° | 170.0° |
| C25 | N26 | C27 | C28 | 47.1° | 63.1° |
| N26 | C25 | C24 | H19 | 172.6° | 65.9° |
| N26 | C25 | C24 | H20 | 49.9° | 173.5° |
| N26 | C25 | H21 | H22 | 120.1° | 120.1° |
| C25 | N26 | C27 | H24 | 167.9° | 176.9° |
| C25 | N26 | C27 | H25 | 73.7° | 56.9° |
| C25 | N26 | C29 | H28 | 72.0° | 49.9° |
| C25 | N26 | C29 | H29 | 45.8° | 70.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C12 | C11 | C16 | C15 | 0.7° | 0.0° |
| C11 | C12 | C13 | C21 | 178.4° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C16 | H13 | 179.2° | 180.0° |
| C12 | C11 | N4 | H18 | 9.6° | 28.6° |
| C16 | C11 | C12 | C13 | 0.9° | 0.0° |
| C11 | C16 | C15 | H13 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.0° |
| C11 | C16 | C15 | C17 | 179.2° | 180.0° |
| C16 | C11 | C12 | H12 | 179.2° | 180.0° |
| C16 | C11 | N4 | H18 | 171.6° | 151.1° |
| C12 | C13 | C21 | N23 | 13.1° | 45.5° |
| C12 | C13 | C21 | C14 | 178.6° | 179.9° |
| C12 | C13 | C14 | C15 | 0.7° | 0.1° |
| C12 | C13 | C21 | O22 | 169.2° | 134.4° |
| C12 | C13 | C14 | H14 | 179.3° | 179.9° |
| N26 | C29 | C30 | H28 | 121.1° | 120.1° |
| N26 | C29 | C30 | H29 | 121.1° | 120.0° |
| N26 | C29 | C30 | C35 | 101.5° | 90.2° |
| N26 | C29 | C30 | C31 | 80.1° | 90.0° |
| C29 | N26 | C27 | C28 | 166.8° | 172.7° |
| C29 | N26 | C25 | H21 | 56.9° | 52.8° |
| C29 | N26 | C25 | H22 | 63.1° | 67.3° |
| C29 | N26 | C27 | H24 | 72.4° | 52.7° |
| C29 | N26 | C27 | H25 | 46.0° | 67.3° |
| N26 | C29 | H28 | H29 | 116.5° | 119.9° |
| C27 | N26 | C29 | C30 | 45.0° | 65.7° |
| N26 | C27 | C28 | N23 | 46.4° | 53.8° |
| N26 | C27 | C28 | H24 | 120.8° | 120.0° |
| N26 | C27 | C28 | H25 | 120.8° | 120.0° |
| C27 | N26 | C25 | H21 | 178.6° | 177.0° |
| C27 | N26 | C25 | H22 | 61.4° | 56.9° |
| N26 | C27 | H24 | H25 | 117.5° | 120.0° |
| N26 | C27 | C28 | H26 | 165.9° | 173.4° |
| N26 | C27 | C28 | H27 | 73.2° | 66.0° |
| C27 | N26 | C29 | H28 | 166.1° | 174.3° |
| C27 | N26 | C29 | H29 | 76.1° | 54.3° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C16 | C15 | C14 | C17 | 179.3° | 179.9° |
| C16 | C15 | C17 | O19 | 144.4° | 180.0° |
| C16 | C15 | C17 | O18 | 38.0° | 0.0° |
| C16 | C15 | C14 | H14 | 179.1° | 180.0° |
| C29 | C30 | C35 | C31 | 178.3° | 179.7° |
| C29 | C30 | C35 | C34 | 179.2° | 179.8° |
| C29 | C30 | C31 | C32 | 179.3° | 180.0° |
| C30 | C29 | H28 | H29 | 116.5° | 120.0° |
| C29 | C30 | C31 | H30 | 0.7° | 0.1° |
| C29 | C30 | C35 | H33 | 0.8° | 0.0° |
| C30 | C35 | C34 | H33 | 180.0° | 179.8° |
| C30 | C35 | C34 | C33 | 0.7° | 0.5° |
| C35 | C30 | C31 | C32 | 0.9° | 0.3° |
| C35 | C30 | C29 | H28 | 19.6° | 149.7° |
| C35 | C30 | C29 | H29 | 137.4° | 29.8° |
| C35 | C30 | C31 | H30 | 179.1° | 179.8° |
| C30 | C35 | C34 | H32 | 179.3° | 179.7° |
| C34 | C35 | C30 | C31 | 0.9° | 0.5° |
| C35 | C34 | C33 | H32 | 180.0° | 179.8° |
| C35 | C34 | C33 | C32 | 0.5° | 0.2° |
| C35 | C34 | C33 | BR1 | 180.0° | 179.8° |
| C28 | N23 | C21 | C13 | 109.9° | 175.4° |
| N23 | C28 | C27 | H26 | 119.5° | 119.6° |
| N23 | C28 | C27 | H27 | 119.6° | 119.8° |
| C28 | N23 | C21 | O22 | 72.5° | 4.7° |
| C28 | N23 | C24 | H19 | 168.5° | 68.5° |
| C28 | N23 | C24 | H20 | 45.8° | 170.8° |
| N23 | C28 | C27 | H24 | 167.2° | 173.7° |
| N23 | C28 | C27 | H25 | 74.4° | 66.2° |
| N23 | C28 | H26 | H27 | 121.3° | 120.5° |
| N23 | C21 | C13 | O22 | 177.6° | 180.0° |
| N23 | C21 | C13 | C14 | 165.4° | 134.3° |
| C21 | N23 | C28 | C27 | 117.7° | 128.5° |
| C21 | N23 | C24 | H19 | 12.1° | 111.7° |
| C21 | N23 | C24 | H20 | 134.8° | 8.9° |
| C21 | N23 | C28 | H26 | 1.8° | 9.1° |
| C21 | N23 | C28 | H27 | 122.7° | 111.5° |
| C21 | C13 | C14 | C15 | 179.3° | 180.0° |
| C21 | C13 | C12 | H12 | 1.6° | 0.1° |
| C21 | C13 | C14 | H14 | 0.7° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 178.5° | 180.0° |
| C14 | C13 | C21 | O22 | 12.2° | 45.7° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C14 | C15 | C17 | O19 | 36.3° | 0.0° |
| C14 | C15 | C17 | O18 | 141.3° | 180.0° |
| C14 | C15 | C16 | H13 | 179.9° | 180.0° |
| C15 | C17 | O19 | O18 | 177.7° | 180.0° |
| C15 | C17 | O18 | C20 | 175.8° | 180.0° |
| C17 | C15 | C16 | H13 | 0.8° | 0.0° |
| C17 | C15 | C14 | H14 | 1.5° | 0.0° |
| C30 | C31 | C32 | H30 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.7° | 0.0° |
| C31 | C30 | C29 | H28 | 158.7° | 30.0° |
| C31 | C30 | C29 | H29 | 41.0° | 150.0° |
| C30 | C31 | C32 | H31 | 179.3° | 180.0° |
| C31 | C30 | C35 | H33 | 179.1° | 179.7° |
| C34 | C33 | C32 | C31 | 0.5° | 0.0° |
| C34 | C33 | C32 | BR1 | 179.5° | 180.0° |
| C34 | C33 | C32 | H31 | 179.5° | 180.0° |
| C33 | C34 | C35 | H33 | 179.3° | 179.7° |
| C28 | C27 | H24 | H25 | 117.5° | 120.1° |
| C27 | C28 | H26 | H27 | 121.3° | 120.6° |
| O19 | C17 | O18 | C20 | 6.6° | 0.0° |
| C17 | O18 | C20 | H15 | 180.0° | 60.0° |
| C17 | O18 | C20 | H16 | 60.0° | 60.0° |
| C17 | O18 | C20 | H17 | 60.0° | 180.0° |
| O18 | C20 | H15 | H16 | 120.0° | 120.0° |
| O18 | C20 | H15 | H17 | 120.0° | 120.0° |
| O18 | C20 | H16 | H17 | 120.0° | 120.0° |
| C31 | C32 | C33 | H31 | 180.0° | 180.0° |
| C31 | C32 | C33 | BR1 | 180.0° | 180.0° |
| C33 | C32 | C31 | H30 | 179.3° | 179.9° |
| C32 | C33 | C34 | H32 | 179.5° | 180.0° |
| BR1 | C33 | C32 | H31 | 0.0° | 0.0° |
| BR1 | C33 | C34 | H32 | 0.0° | 0.0° |
| H1 | C1 | C6 | H4 | 58.8° | 179.9° |
| H1 | C1 | C6 | H5 | 61.2° | 60.1° |
| H1 | C1 | C6 | H6 | 178.8° | 60.0° |
| H2 | C1 | C6 | H4 | 58.8° | 60.0° |
| H2 | C1 | C6 | H5 | 178.8° | 180.0° |
| H2 | C1 | C6 | H6 | 61.2° | 59.9° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H7 | C7 | C8 | H9 | 59.1° | 180.0° |
| H7 | C7 | C8 | H10 | 179.1° | 60.0° |
| H7 | C7 | C8 | H11 | 60.9° | 60.0° |
| H8 | C7 | C8 | H9 | 59.1° | 60.0° |
| H8 | C7 | C8 | H10 | 60.9° | 180.0° |
| H8 | C7 | C8 | H11 | 179.1° | 59.9° |
| H9 | C8 | H10 | H11 | 120.0° | 119.9° |
| H15 | C20 | H16 | H17 | 120.0° | 119.9° |
| H19 | C24 | C25 | H21 | 52.6° | 54.1° |
| H19 | C24 | C25 | H22 | 67.5° | 174.1° |
| H20 | C24 | C25 | H21 | 70.1° | 66.6° |
| H20 | C24 | C25 | H22 | 169.9° | 53.5° |
| H24 | C27 | C28 | H26 | 73.3° | 66.7° |
| H24 | C27 | C28 | H27 | 47.6° | 54.0° |
| H25 | C27 | C28 | H26 | 45.1° | 53.4° |
| H25 | C27 | C28 | H27 | 166.0° | 174.0° |
| H30 | C31 | C32 | H31 | 0.7° | 0.1° |
| H32 | C34 | C35 | H33 | 0.7° | 0.0° |
