EQB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C17 | C15 | sing | 1.53Å | 1.51Å | |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C9 | O10 | sing | 1.43Å | 1.40Å | |
| C9 | C4 | sing | 1.53Å | 1.50Å | |
| C11 | N13 | sing | 1.35Å | 1.32Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C5 | C7 | sing | 1.53Å | 1.50Å | |
| C4 | C1 | sing | 1.51Å | 1.49Å | |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| C14 | C18 | sing | 1.51Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C1 | O3 | doub | 1.21Å | 1.22Å | |
| C18 | N20 | sing | 1.35Å | 1.30Å | |
| C18 | O19 | doub | 1.21Å | 1.21Å | |
| N20 | C21 | sing | 1.46Å | 1.44Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| O26 | C25 | doub | 1.21Å | 1.21Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C21 | C25 | sing | 1.51Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | O27 | sing | 1.34Å | 1.34Å | |
| O27 | C28 | sing | 1.45Å | 1.42Å | |
| C28 | C29 | sing | 1.51Å | 1.39Å | |
| C29 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| N13 | H25 | sing | 0.97Å | 1.00Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| N20 | H30 | sing | 0.97Å | 1.00Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| C34 | H38 | sing | 1.08Å | 1.08Å | |
| C1 | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C9 | 119.0° | 120.0° |
| O12 | C11 | N13 | 123.5° | 120.0° |
| C6 | C5 | C4 | 109.6° | 109.5° |
| C6 | C5 | C7 | 109.7° | 109.5° |
| C6 | C5 | H2 | 112.0° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C17 | C15 | C14 | 109.0° | 109.4° |
| C17 | C15 | C16 | 110.9° | 109.4° |
| C17 | C15 | H11 | 109.9° | 109.4° |
| C15 | C17 | H12 | 109.5° | 109.5° |
| C15 | C17 | H13 | 109.5° | 109.5° |
| C15 | C17 | H14 | 109.4° | 109.5° |
| C11 | C9 | O10 | 106.6° | 109.5° |
| C11 | C9 | C4 | 106.1° | 109.4° |
| C9 | C11 | N13 | 117.4° | 120.0° |
| C11 | C9 | H23 | 111.7° | 109.5° |
| O10 | C9 | C4 | 106.9° | 109.4° |
| O10 | C9 | H23 | 113.4° | 109.5° |
| C9 | O10 | H24 | 109.5° | 114.0° |
| C9 | C4 | C5 | 115.8° | 109.4° |
| C9 | C4 | C1 | 110.0° | 109.5° |
| C9 | C4 | H1 | 108.1° | 109.5° |
| C4 | C9 | H23 | 111.7° | 109.5° |
| C11 | N13 | C14 | 122.4° | 120.0° |
| C11 | N13 | H25 | 118.8° | 120.0° |
| C4 | C5 | C7 | 100.9° | 109.4° |
| C5 | C4 | C1 | 106.3° | 109.5° |
| C5 | C4 | H1 | 108.2° | 109.5° |
| C4 | C5 | H2 | 112.2° | 109.5° |
| C5 | C7 | C8 | 111.3° | 109.4° |
| C7 | C5 | H2 | 111.9° | 109.5° |
| C5 | C7 | H6 | 109.0° | 109.5° |
| C5 | C7 | H7 | 109.0° | 109.5° |
| C4 | C1 | O3 | 121.2° | 120.0° |
| C1 | C4 | H1 | 108.2° | 109.5° |
| C4 | C1 | OXT | 112.2° | 120.0° |
| C14 | C15 | C16 | 106.5° | 109.5° |
| C15 | C14 | N13 | 109.5° | 109.4° |
| C15 | C14 | C18 | 104.5° | 109.5° |
| C14 | C15 | H11 | 110.3° | 109.5° |
| C15 | C14 | H26 | 110.2° | 109.4° |
| C16 | C15 | H11 | 110.1° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.5° |
| C15 | C16 | H29 | 109.5° | 109.5° |
| N13 | C14 | C18 | 111.9° | 109.5° |
| C14 | N13 | H25 | 118.8° | 120.0° |
| N13 | C14 | H26 | 110.5° | 109.5° |
| C14 | C18 | N20 | 116.2° | 120.0° |
| C14 | C18 | O19 | 120.9° | 120.0° |
| C18 | C14 | H26 | 110.2° | 109.5° |
| C8 | C7 | H6 | 109.0° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| O3 | C1 | OXT | 126.6° | 120.0° |
| N20 | C18 | O19 | 122.6° | 120.0° |
| C18 | N20 | C21 | 117.8° | 120.0° |
| C18 | N20 | H30 | 121.1° | 120.0° |
| N20 | C21 | C22 | 108.3° | 109.4° |
| N20 | C21 | C25 | 109.2° | 109.5° |
| N20 | C21 | H15 | 111.5° | 109.5° |
| C21 | N20 | H30 | 121.1° | 120.0° |
| C24 | C22 | C21 | 105.3° | 109.5° |
| C24 | C22 | C23 | 109.9° | 109.5° |
| C24 | C22 | H16 | 111.5° | 109.4° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.4° | 109.4° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| O26 | C25 | C21 | 120.0° | 120.0° |
| O26 | C25 | O27 | 125.8° | 120.0° |
| C22 | C21 | C25 | 105.8° | 109.5° |
| C21 | C22 | C23 | 106.4° | 109.5° |
| C22 | C21 | H15 | 110.9° | 109.4° |
| C21 | C22 | H16 | 111.9° | 109.4° |
| C21 | C25 | O27 | 114.2° | 120.0° |
| C25 | C21 | H15 | 110.9° | 109.5° |
| C23 | C22 | H16 | 111.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C25 | O27 | C28 | 116.8° | 117.0° |
| O27 | C28 | C29 | 109.0° | 109.5° |
| O27 | C28 | H20 | 109.6° | 109.5° |
| O27 | C28 | H21 | 109.6° | 109.4° |
| C28 | C29 | C30 | 120.5° | 120.0° |
| C28 | C29 | C34 | 121.4° | 120.0° |
| C29 | C28 | H20 | 109.6° | 109.5° |
| C29 | C28 | H21 | 109.6° | 109.5° |
| C30 | C29 | C34 | 118.0° | 120.0° |
| C29 | C30 | C31 | 121.0° | 120.0° |
| C29 | C30 | H34 | 119.5° | 120.0° |
| C29 | C34 | C33 | 121.4° | 120.0° |
| C29 | C34 | H38 | 119.3° | 120.0° |
| C30 | C31 | C32 | 120.8° | 120.0° |
| C31 | C30 | H34 | 119.5° | 120.0° |
| C30 | C31 | H35 | 119.6° | 120.0° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C34 | C33 | H37 | 119.9° | 120.0° |
| C33 | C34 | H38 | 119.3° | 120.0° |
| C31 | C32 | C33 | 118.6° | 120.0° |
| C32 | C31 | H35 | 119.6° | 120.0° |
| C31 | C32 | H36 | 120.7° | 120.0° |
| C33 | C32 | H36 | 120.7° | 120.0° |
| C32 | C33 | H37 | 119.9° | 120.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H12 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H20 | C28 | H21 | 109.4° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H33 | 109.4° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.4° |
| C1 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C9 | N13 | 177.7° | 180.0° |
| O12 | C11 | C9 | O10 | 145.3° | 1.5° |
| O12 | C11 | C9 | C4 | 101.0° | 118.4° |
| O12 | C11 | N13 | C14 | 2.3° | 4.8° |
| O12 | C11 | C9 | H23 | 21.0° | 121.5° |
| O12 | C11 | N13 | H25 | 177.7° | 175.1° |
| C6 | C5 | C4 | C9 | 59.7° | 60.0° |
| C6 | C5 | C4 | C7 | 115.7° | 120.0° |
| C6 | C5 | C4 | H2 | 125.1° | 120.0° |
| C6 | C5 | C7 | H2 | 124.9° | 120.0° |
| C6 | C5 | C4 | C1 | 177.8° | 180.0° |
| C6 | C5 | C7 | C8 | 64.2° | 65.0° |
| C6 | C5 | C4 | H1 | 61.7° | 60.0° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C5 | C7 | H6 | 56.0° | 55.0° |
| C6 | C5 | C7 | H7 | 175.5° | 175.0° |
| C17 | C15 | C14 | C16 | 119.8° | 119.9° |
| C17 | C15 | C14 | H11 | 120.8° | 120.0° |
| C17 | C15 | C16 | H11 | 121.9° | 120.0° |
| C17 | C15 | C14 | N13 | 65.2° | 177.9° |
| C17 | C15 | C14 | C18 | 174.8° | 62.1° |
| C15 | C17 | H12 | H13 | 120.0° | 120.0° |
| C15 | C17 | H12 | H14 | 120.0° | 120.1° |
| C15 | C17 | H13 | H14 | 120.0° | 120.0° |
| C17 | C15 | C14 | H26 | 56.4° | 57.9° |
| C17 | C15 | C16 | H27 | 180.0° | 62.6° |
| C17 | C15 | C16 | H28 | 60.0° | 57.4° |
| C17 | C15 | C16 | H29 | 60.0° | 177.3° |
| C11 | C9 | O10 | C4 | 113.1° | 119.9° |
| C11 | C9 | O10 | H23 | 123.3° | 120.1° |
| C11 | C9 | C4 | H23 | 122.0° | 120.1° |
| C11 | C9 | C4 | C5 | 171.6° | 176.9° |
| C11 | C9 | C4 | C1 | 67.9° | 56.9° |
| C9 | C11 | N13 | C14 | 180.0° | 175.2° |
| C11 | C9 | C4 | H1 | 50.1° | 63.2° |
| C11 | C9 | O10 | H24 | 180.0° | 60.0° |
| C9 | C11 | N13 | H25 | 0.1° | 4.9° |
| O10 | C9 | C4 | H23 | 124.6° | 120.0° |
| O10 | C9 | C11 | N13 | 36.9° | 178.5° |
| O10 | C9 | C4 | C5 | 75.0° | 56.9° |
| O10 | C9 | C4 | C1 | 45.6° | 63.1° |
| O10 | C9 | C4 | H1 | 163.5° | 176.9° |
| C4 | C9 | C11 | N13 | 76.7° | 61.6° |
| C9 | C4 | C5 | C1 | 122.5° | 120.0° |
| C9 | C4 | C5 | H1 | 121.4° | 120.0° |
| C9 | C4 | C5 | C7 | 175.3° | 180.0° |
| C9 | C4 | C1 | H1 | 117.9° | 120.0° |
| C9 | C4 | C1 | O3 | 146.2° | 86.8° |
| C9 | C4 | C5 | H2 | 65.4° | 60.0° |
| C4 | C9 | O10 | H24 | 66.9° | 60.0° |
| C9 | C4 | C1 | OXT | 35.7° | 93.2° |
| C11 | N13 | C14 | C15 | 106.0° | 85.6° |
| C11 | N13 | C14 | H25 | 180.0° | 179.9° |
| C11 | N13 | C14 | C18 | 138.7° | 154.3° |
| N13 | C11 | C9 | H23 | 161.3° | 58.4° |
| C11 | N13 | C14 | H26 | 15.5° | 34.3° |
| C4 | C5 | C7 | H2 | 119.5° | 120.0° |
| C5 | C4 | C1 | H1 | 116.1° | 120.0° |
| C4 | C5 | C7 | C8 | 179.8° | 175.0° |
| C5 | C4 | C1 | O3 | 87.8° | 33.2° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 60.0° | 60.0° |
| C4 | C5 | C6 | H5 | 60.0° | 60.0° |
| C4 | C5 | C7 | H6 | 59.6° | 65.0° |
| C4 | C5 | C7 | H7 | 59.9° | 55.0° |
| C5 | C4 | C9 | H23 | 49.6° | 63.1° |
| C5 | C4 | C1 | OXT | 90.3° | 146.8° |
| C7 | C5 | C4 | C1 | 62.2° | 60.0° |
| C5 | C7 | C8 | H6 | 120.3° | 120.0° |
| C5 | C7 | C8 | H7 | 120.3° | 120.0° |
| C7 | C5 | C4 | H1 | 53.9° | 60.0° |
| C7 | C5 | C6 | H3 | 70.1° | 60.0° |
| C7 | C5 | C6 | H4 | 169.9° | 180.0° |
| C7 | C5 | C6 | H5 | 49.9° | 59.9° |
| C5 | C7 | H6 | H7 | 119.2° | 120.0° |
| C5 | C7 | C8 | H8 | 180.0° | 60.0° |
| C5 | C7 | C8 | H9 | 60.0° | 60.0° |
| C5 | C7 | C8 | H10 | 60.0° | 180.0° |
| C4 | C1 | O3 | OXT | 177.8° | 180.0° |
| C1 | C4 | C5 | H2 | 57.1° | 60.0° |
| C1 | C4 | C9 | H23 | 170.1° | 176.9° |
| C4 | C1 | OXT | HXT | 178.0° | 180.0° |
| C14 | C15 | C16 | H11 | 119.6° | 120.1° |
| C15 | C14 | N13 | C18 | 115.4° | 120.1° |
| C15 | C14 | N13 | H26 | 121.5° | 119.9° |
| C15 | C14 | C18 | H26 | 118.3° | 120.0° |
| C15 | C14 | C18 | N20 | 125.3° | 76.9° |
| C15 | C14 | C18 | O19 | 49.0° | 103.1° |
| C14 | C15 | C17 | H12 | 180.0° | 60.4° |
| C14 | C15 | C17 | H13 | 60.0° | 179.6° |
| C14 | C15 | C17 | H14 | 60.0° | 59.7° |
| C15 | C14 | N13 | H25 | 74.0° | 94.4° |
| C14 | C15 | C16 | H27 | 61.5° | 57.3° |
| C14 | C15 | C16 | H28 | 58.5° | 177.4° |
| C14 | C15 | C16 | H29 | 178.5° | 62.7° |
| C16 | C15 | C14 | N13 | 175.0° | 62.2° |
| C16 | C15 | C14 | C18 | 55.0° | 57.9° |
| C16 | C15 | C17 | H12 | 63.0° | 179.6° |
| C16 | C15 | C17 | H13 | 57.0° | 59.6° |
| C16 | C15 | C17 | H14 | 177.0° | 60.3° |
| C16 | C15 | C14 | H26 | 63.3° | 177.9° |
| C15 | C16 | H27 | H28 | 120.0° | 120.1° |
| C15 | C16 | H27 | H29 | 120.0° | 120.0° |
| C15 | C16 | H28 | H29 | 120.0° | 120.0° |
| N13 | C14 | C18 | H26 | 123.3° | 120.0° |
| N13 | C14 | C18 | N20 | 116.4° | 163.1° |
| N13 | C14 | C18 | O19 | 69.3° | 16.9° |
| N13 | C14 | C15 | H11 | 55.6° | 57.9° |
| C14 | C18 | N20 | O19 | 174.2° | 180.0° |
| C14 | C18 | N20 | C21 | 180.0° | 173.6° |
| C18 | C14 | C15 | H11 | 64.4° | 178.0° |
| C18 | C14 | N13 | H25 | 41.3° | 25.6° |
| C14 | C18 | N20 | H30 | 0.0° | 6.3° |
| C8 | C7 | C5 | H2 | 60.7° | 55.0° |
| C8 | C7 | H6 | H7 | 119.2° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| O3 | C1 | C4 | H1 | 28.3° | 153.2° |
| O3 | C1 | OXT | HXT | 0.0° | 0.0° |
| C18 | N20 | C21 | H30 | 180.0° | 180.0° |
| C18 | N20 | C21 | C22 | 146.5° | 85.0° |
| C18 | N20 | C21 | C25 | 98.7° | 155.0° |
| C18 | N20 | C21 | H15 | 24.2° | 35.0° |
| N20 | C18 | C14 | H26 | 6.9° | 43.1° |
| O19 | C18 | N20 | C21 | 5.8° | 6.4° |
| O19 | C18 | C14 | H26 | 167.4° | 136.9° |
| O19 | C18 | N20 | H30 | 174.1° | 173.6° |
| N20 | C21 | C22 | C24 | 60.3° | 60.0° |
| N20 | C21 | C25 | O26 | 27.5° | 0.0° |
| N20 | C21 | C22 | C25 | 117.0° | 120.0° |
| N20 | C21 | C22 | H15 | 122.7° | 120.0° |
| N20 | C21 | C25 | H15 | 123.3° | 120.0° |
| N20 | C21 | C22 | C23 | 176.9° | 60.0° |
| N20 | C21 | C25 | O27 | 154.6° | 180.0° |
| N20 | C21 | C22 | H16 | 61.0° | 180.0° |
| C24 | C22 | C21 | C23 | 116.7° | 120.1° |
| C24 | C22 | C21 | H16 | 121.3° | 120.0° |
| C24 | C22 | C21 | C25 | 56.8° | 180.0° |
| C24 | C22 | C23 | H16 | 124.2° | 120.0° |
| C24 | C22 | C21 | H15 | 177.1° | 59.9° |
| C22 | C24 | H17 | H18 | 120.0° | 120.0° |
| C22 | C24 | H17 | H19 | 120.0° | 120.0° |
| C22 | C24 | H18 | H19 | 120.0° | 119.9° |
| C24 | C22 | C23 | H31 | 180.0° | 180.0° |
| C24 | C22 | C23 | H32 | 60.0° | 60.0° |
| C24 | C22 | C23 | H33 | 60.0° | 60.0° |
| O26 | C25 | C21 | C22 | 88.9° | 120.0° |
| O26 | C25 | C21 | O27 | 177.9° | 180.0° |
| O26 | C25 | O27 | C28 | 5.3° | 0.0° |
| O26 | C25 | C21 | H15 | 150.8° | 120.0° |
| C22 | C21 | C25 | H15 | 120.3° | 120.0° |
| C21 | C22 | C23 | H16 | 122.3° | 120.0° |
| C22 | C21 | C25 | O27 | 89.0° | 60.0° |
| C21 | C22 | C24 | H17 | 180.0° | 59.9° |
| C21 | C22 | C24 | H18 | 60.0° | 60.1° |
| C21 | C22 | C24 | H19 | 60.0° | 180.0° |
| C22 | C21 | N20 | H30 | 33.5° | 95.0° |
| C21 | C22 | C23 | H31 | 66.5° | 60.0° |
| C21 | C22 | C23 | H32 | 173.5° | 180.0° |
| C21 | C22 | C23 | H33 | 53.5° | 60.0° |
| C25 | C21 | C22 | C23 | 59.9° | 60.0° |
| C21 | C25 | O27 | C28 | 176.9° | 180.0° |
| C25 | C21 | C22 | H16 | 178.1° | 60.0° |
| C25 | C21 | N20 | H30 | 81.3° | 25.0° |
| C23 | C22 | C21 | H15 | 60.4° | 180.0° |
| C23 | C22 | C24 | H17 | 65.8° | 180.0° |
| C23 | C22 | C24 | H18 | 174.2° | 60.0° |
| C23 | C22 | C24 | H19 | 54.2° | 59.9° |
| C22 | C23 | H31 | H32 | 120.0° | 120.1° |
| C22 | C23 | H31 | H33 | 120.0° | 120.0° |
| C22 | C23 | H32 | H33 | 120.0° | 120.0° |
| C25 | O27 | C28 | C29 | 171.1° | 180.0° |
| O27 | C25 | C21 | H15 | 31.3° | 60.0° |
| C25 | O27 | C28 | H20 | 51.2° | 60.0° |
| C25 | O27 | C28 | H21 | 68.9° | 60.0° |
| O27 | C28 | C29 | H20 | 119.9° | 120.0° |
| O27 | C28 | C29 | H21 | 119.9° | 119.9° |
| O27 | C28 | C29 | C30 | 155.3° | 90.0° |
| O27 | C28 | C29 | C34 | 25.5° | 90.3° |
| O27 | C28 | H20 | H21 | 120.2° | 120.0° |
| C28 | C29 | C30 | C34 | 179.2° | 179.7° |
| C28 | C29 | C30 | C31 | 179.6° | 180.0° |
| C28 | C29 | C34 | C33 | 179.5° | 179.8° |
| C29 | C28 | H20 | H21 | 120.2° | 120.0° |
| C28 | C29 | C30 | H34 | 0.4° | 0.1° |
| C28 | C29 | C34 | H38 | 0.5° | 0.0° |
| C29 | C30 | C31 | H34 | 180.0° | 179.9° |
| C30 | C29 | C34 | C33 | 0.3° | 0.5° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C30 | C29 | C28 | H20 | 84.7° | 30.0° |
| C30 | C29 | C28 | H21 | 35.4° | 150.0° |
| C29 | C30 | C31 | H35 | 179.8° | 179.9° |
| C30 | C29 | C34 | H38 | 179.7° | 179.7° |
| C34 | C29 | C30 | C31 | 0.4° | 0.3° |
| C29 | C34 | C33 | H38 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 0.1° | 0.5° |
| C34 | C29 | C28 | H20 | 94.5° | 149.7° |
| C34 | C29 | C28 | H21 | 145.4° | 29.7° |
| C34 | C29 | C30 | H34 | 179.7° | 179.8° |
| C29 | C34 | C33 | H37 | 179.9° | 179.7° |
| C30 | C31 | C32 | H35 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C30 | C31 | C32 | H36 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.1° | 0.2° |
| C34 | C33 | C32 | H37 | 180.0° | 179.8° |
| C34 | C33 | C32 | H36 | 179.9° | 179.8° |
| C31 | C32 | C33 | H36 | 180.0° | 180.0° |
| C32 | C31 | C30 | H34 | 179.8° | 180.0° |
| C31 | C32 | C33 | H37 | 179.9° | 179.9° |
| C33 | C32 | C31 | H35 | 180.0° | 180.0° |
| C32 | C33 | C34 | H38 | 179.9° | 179.8° |
| H1 | C4 | C5 | H2 | 173.2° | 180.0° |
| H1 | C4 | C9 | H23 | 71.9° | 56.9° |
| H1 | C4 | C1 | OXT | 153.6° | 26.8° |
| H2 | C5 | C6 | H3 | 54.8° | 60.0° |
| H2 | C5 | C6 | H4 | 65.2° | 60.0° |
| H2 | C5 | C6 | H5 | 174.8° | 180.0° |
| H2 | C5 | C7 | H6 | 179.1° | 175.0° |
| H2 | C5 | C7 | H7 | 59.6° | 65.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C7 | C8 | H8 | 59.7° | 180.0° |
| H6 | C7 | C8 | H9 | 179.8° | 60.0° |
| H6 | C7 | C8 | H10 | 60.3° | 60.0° |
| H7 | C7 | C8 | H8 | 59.7° | 60.0° |
| H7 | C7 | C8 | H9 | 60.3° | 180.0° |
| H7 | C7 | C8 | H10 | 179.7° | 60.0° |
| H8 | C8 | H9 | H10 | 120.0° | 119.9° |
| H11 | C15 | C17 | H12 | 59.0° | 59.6° |
| H11 | C15 | C17 | H13 | 179.0° | 60.4° |
| H11 | C15 | C17 | H14 | 61.0° | 179.7° |
| H11 | C15 | C14 | H26 | 177.2° | 62.0° |
| H11 | C15 | C16 | H27 | 58.1° | 177.4° |
| H11 | C15 | C16 | H28 | 178.1° | 62.5° |
| H11 | C15 | C16 | H29 | 61.9° | 57.4° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H15 | C21 | C22 | H16 | 61.6° | 60.0° |
| H15 | C21 | N20 | H30 | 155.8° | 145.0° |
| H16 | C22 | C24 | H17 | 58.4° | 60.0° |
| H16 | C22 | C24 | H18 | 61.6° | 180.0° |
| H16 | C22 | C24 | H19 | 178.4° | 60.1° |
| H16 | C22 | C23 | H31 | 55.8° | 60.0° |
| H16 | C22 | C23 | H32 | 64.2° | 60.0° |
| H16 | C22 | C23 | H33 | 175.8° | 180.0° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H23 | C9 | O10 | H24 | 56.7° | 180.0° |
| H25 | N13 | C14 | H26 | 164.5° | 145.6° |
| H27 | C16 | H28 | H29 | 120.0° | 120.0° |
| H31 | C23 | H32 | H33 | 120.0° | 119.9° |
| H34 | C30 | C31 | H35 | 0.2° | 0.1° |
| H35 | C31 | C32 | H36 | 0.0° | 0.0° |
| H36 | C32 | C33 | H37 | 0.1° | 0.0° |
| H37 | C33 | C34 | H38 | 0.1° | 0.0° |
