A1ELK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C2 | sing | 1.53Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C3 | sing | 1.51Å | 1.46Å | |
| O | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| O | N | sing | 1.21Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| N | C5 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.38Å | Aromatic |
| C4 | C12 | sing | 1.51Å | 1.49Å | |
| C5 | C6 | sing | 1.48Å | 1.47Å | |
| CL28 | C11 | sing | 1.74Å | 1.73Å | |
| C12 | O1 | sing | 1.43Å | 1.43Å | |
| C6 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| CL1 | C7 | sing | 1.74Å | 1.73Å | |
| O1 | C29 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C34 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.54Å | 1.52Å | |
| C13 | C31 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | N32 | sing | 1.49Å | 1.47Å | |
| C14 | C33 | sing | 1.55Å | 1.53Å | |
| C34 | C33 | sing | 1.54Å | 1.52Å | |
| C33 | N32 | sing | 1.49Å | 1.47Å | |
| N32 | C35 | sing | 1.39Å | 1.40Å | |
| C35 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.37Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | F1 | sing | 1.35Å | 1.36Å | |
| C39 | C38 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | C41 | sing | 1.48Å | 1.47Å | |
| C41 | N45 | doub | 1.30Å | 1.29Å | |
| C41 | N42 | sing | 1.39Å | 1.37Å | |
| N45 | O44 | sing | 1.21Å | 1.42Å | |
| N42 | C43 | sing | 1.35Å | 1.34Å | |
| O44 | C43 | sing | 1.34Å | 1.34Å | |
| C43 | O46 | doub | 1.22Å | 1.21Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C40 | H24 | sing | 1.08Å | 1.08Å | |
| N42 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C | C1 | 60.6° | 60.0° |
| C | C2 | C1 | 60.5° | 60.0° |
| C2 | C | H1 | 119.9° | 117.6° |
| C2 | C | H2 | 119.9° | 117.5° |
| C | C2 | H4 | 119.9° | 117.5° |
| C | C2 | H5 | 119.9° | 117.5° |
| C | C1 | C2 | 59.0° | 60.0° |
| C | C1 | C3 | 118.7° | 117.5° |
| C1 | C | H1 | 119.9° | 117.5° |
| C1 | C | H2 | 119.9° | 117.5° |
| C | C1 | H3 | 115.9° | 117.5° |
| C2 | C1 | C3 | 118.7° | 117.5° |
| C2 | C1 | H3 | 115.8° | 117.5° |
| C1 | C2 | H4 | 119.9° | 117.5° |
| C1 | C2 | H5 | 119.9° | 117.5° |
| C1 | C3 | O | 116.6° | 126.6° |
| C1 | C3 | C4 | 135.2° | 126.7° |
| C3 | C1 | H3 | 116.5° | 115.5° |
| C3 | O | N | 107.7° | 111.8° |
| O | C3 | C4 | 108.2° | 106.7° |
| O | N | C5 | 106.6° | 111.5° |
| C3 | C4 | C5 | 108.0° | 104.0° |
| C3 | C4 | C12 | 127.5° | 128.1° |
| N | C5 | C4 | 109.4° | 106.1° |
| N | C5 | C6 | 119.7° | 127.0° |
| C5 | C4 | C12 | 124.4° | 128.0° |
| C4 | C5 | C6 | 130.8° | 127.0° |
| C4 | C12 | O1 | 110.6° | 109.4° |
| C4 | C12 | H9 | 109.2° | 109.5° |
| C4 | C12 | H10 | 109.2° | 109.5° |
| C5 | C6 | C11 | 121.2° | 120.2° |
| C5 | C6 | C7 | 121.4° | 120.1° |
| CL28 | C11 | C6 | 119.6° | 120.1° |
| CL28 | C11 | C10 | 118.4° | 120.0° |
| C12 | O1 | C29 | 115.5° | 114.0° |
| O1 | C12 | H9 | 109.2° | 109.4° |
| O1 | C12 | H10 | 109.2° | 109.5° |
| C11 | C6 | C7 | 117.3° | 119.7° |
| C6 | C11 | C10 | 121.9° | 119.9° |
| C6 | C7 | CL1 | 119.6° | 120.1° |
| C6 | C7 | C8 | 121.7° | 119.9° |
| C11 | C10 | C9 | 119.0° | 120.1° |
| C11 | C10 | H8 | 120.5° | 120.0° |
| CL1 | C7 | C8 | 118.7° | 120.1° |
| O1 | C29 | C30 | 108.6° | 109.4° |
| O1 | C29 | C34 | 109.1° | 109.4° |
| O1 | C29 | H15 | 109.9° | 109.4° |
| C7 | C8 | C9 | 119.3° | 120.1° |
| C7 | C8 | H6 | 120.3° | 120.0° |
| C10 | C9 | C8 | 120.6° | 120.3° |
| C10 | C9 | H7 | 119.7° | 119.9° |
| C9 | C10 | H8 | 120.5° | 119.9° |
| C30 | C29 | C34 | 112.1° | 109.7° |
| C29 | C30 | C31 | 112.0° | 108.9° |
| C30 | C29 | H15 | 108.6° | 109.5° |
| C29 | C30 | H16 | 108.8° | 109.5° |
| C29 | C30 | H17 | 108.8° | 109.6° |
| C29 | C34 | C33 | 112.7° | 108.9° |
| C34 | C29 | H15 | 108.6° | 109.4° |
| C29 | C34 | H20 | 108.7° | 109.5° |
| C29 | C34 | H21 | 108.7° | 109.6° |
| C30 | C31 | C13 | 115.5° | 107.8° |
| C30 | C31 | N32 | 109.4° | 107.2° |
| C31 | C30 | H16 | 108.8° | 109.6° |
| C31 | C30 | H17 | 108.8° | 109.6° |
| C30 | C31 | H18 | 109.9° | 112.1° |
| C31 | C13 | C14 | 104.4° | 104.9° |
| C13 | C31 | N32 | 101.2° | 104.2° |
| C31 | C13 | H11 | 110.7° | 110.4° |
| C31 | C13 | H12 | 110.7° | 110.4° |
| C13 | C31 | H18 | 109.8° | 112.3° |
| C13 | C14 | C33 | 103.5° | 104.8° |
| C14 | C13 | H11 | 110.7° | 110.4° |
| C14 | C13 | H12 | 110.7° | 110.3° |
| C13 | C14 | H13 | 110.9° | 110.4° |
| C13 | C14 | H14 | 110.9° | 110.3° |
| C9 | C8 | H6 | 120.4° | 119.9° |
| C8 | C9 | H7 | 119.7° | 119.8° |
| C31 | N32 | C33 | 102.3° | 103.4° |
| C31 | N32 | C35 | 115.2° | 111.0° |
| N32 | C31 | H18 | 110.7° | 112.8° |
| C14 | C33 | C34 | 114.6° | 107.8° |
| C14 | C33 | N32 | 101.8° | 104.3° |
| C33 | C14 | H13 | 110.9° | 110.4° |
| C33 | C14 | H14 | 110.9° | 110.4° |
| C14 | C33 | H19 | 109.9° | 112.2° |
| C34 | C33 | N32 | 109.4° | 107.3° |
| C34 | C33 | H19 | 110.0° | 112.6° |
| C33 | C34 | H20 | 108.7° | 109.6° |
| C33 | C34 | H21 | 108.7° | 109.6° |
| C33 | N32 | C35 | 120.5° | 111.0° |
| N32 | C33 | H19 | 110.8° | 112.3° |
| N32 | C35 | C40 | 119.7° | 119.9° |
| N32 | C35 | C36 | 121.2° | 119.9° |
| C40 | C35 | C36 | 119.1° | 120.1° |
| C35 | C40 | C39 | 119.9° | 120.1° |
| C35 | C40 | H24 | 120.1° | 120.0° |
| C35 | C36 | C37 | 120.6° | 120.1° |
| C35 | C36 | H22 | 119.7° | 120.0° |
| C40 | C39 | F1 | 118.7° | 120.1° |
| C40 | C39 | C38 | 121.6° | 119.8° |
| C39 | C40 | H24 | 120.0° | 119.9° |
| C36 | C37 | C38 | 120.1° | 120.0° |
| C37 | C36 | H22 | 119.7° | 119.9° |
| C36 | C37 | H23 | 120.0° | 120.1° |
| F1 | C39 | C38 | 119.7° | 120.0° |
| C39 | C38 | C37 | 118.7° | 119.8° |
| C39 | C38 | C41 | 120.2° | 120.1° |
| C37 | C38 | C41 | 121.1° | 120.1° |
| C38 | C37 | H23 | 120.0° | 120.0° |
| C38 | C41 | N45 | 123.5° | 126.5° |
| C38 | C41 | N42 | 126.8° | 126.6° |
| N45 | C41 | N42 | 109.7° | 106.9° |
| C41 | N45 | O44 | 106.5° | 111.6° |
| C41 | N42 | C43 | 108.3° | 104.4° |
| C41 | N42 | H25 | 125.8° | 127.8° |
| N45 | O44 | C43 | 108.1° | 110.9° |
| N42 | C43 | O44 | 107.4° | 106.2° |
| N42 | C43 | O46 | 131.2° | 126.9° |
| C43 | N42 | H25 | 125.9° | 127.8° |
| O44 | C43 | O46 | 121.5° | 126.9° |
| H1 | C | H2 | 109.5° | 115.5° |
| H4 | C2 | H5 | 109.5° | 115.6° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 110.4° |
| H13 | C14 | H14 | 109.4° | 110.4° |
| H16 | C30 | H17 | 109.5° | 109.6° |
| H20 | C34 | H21 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C | C1 | H1 | 109.6° | 107.6° |
| C2 | C | C1 | H2 | 109.6° | 107.5° |
| C | C2 | C1 | H4 | 109.6° | 107.5° |
| C | C2 | C1 | H5 | 109.6° | 107.5° |
| C2 | C | C1 | C3 | 108.1° | 107.5° |
| C2 | C | H1 | H2 | 144.5° | 145.7° |
| C2 | C | C1 | H3 | 105.9° | 107.6° |
| C | C2 | H4 | H5 | 144.5° | 145.6° |
| C | C1 | C3 | H3 | 145.8° | 145.6° |
| C | C1 | C3 | O | 0.4° | 60.1° |
| C | C1 | C3 | C4 | 177.4° | 120.0° |
| C1 | C | H1 | H2 | 144.4° | 145.7° |
| C2 | C1 | C3 | H3 | 145.9° | 145.7° |
| C2 | C1 | C3 | O | 68.7° | 8.6° |
| C2 | C1 | C3 | C4 | 109.1° | 171.4° |
| C1 | C2 | H4 | H5 | 144.5° | 145.7° |
| C1 | C3 | O | C4 | 178.4° | 180.0° |
| C1 | C3 | O | N | 179.5° | 180.0° |
| C1 | C3 | C4 | C5 | 179.8° | 180.0° |
| C1 | C3 | C4 | C12 | 3.3° | 0.1° |
| C3 | C1 | C | H1 | 1.6° | 144.9° |
| C3 | C1 | C | H2 | 142.3° | 0.0° |
| C3 | C1 | C2 | H4 | 142.4° | 145.0° |
| C3 | C1 | C2 | H5 | 1.6° | 0.0° |
| C3 | O | N | C5 | 0.1° | 0.0° |
| O | C3 | C4 | C5 | 1.9° | 0.0° |
| O | C3 | C4 | C12 | 178.8° | 179.9° |
| O | C3 | C1 | H3 | 145.4° | 154.3° |
| N | O | C3 | C4 | 1.1° | 0.0° |
| O | N | C5 | C4 | 1.3° | 0.0° |
| O | N | C5 | C6 | 178.9° | 180.0° |
| C3 | C4 | C5 | N | 2.0° | 0.0° |
| C3 | C4 | C5 | C12 | 177.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.2° | 180.0° |
| C3 | C4 | C12 | O1 | 131.4° | 93.1° |
| C4 | C3 | C1 | H3 | 36.8° | 25.7° |
| C3 | C4 | C12 | H9 | 11.2° | 147.0° |
| C3 | C4 | C12 | H10 | 108.4° | 26.9° |
| N | C5 | C4 | C6 | 177.2° | 180.0° |
| N | C5 | C4 | C12 | 179.0° | 180.0° |
| N | C5 | C6 | C11 | 104.6° | 120.5° |
| N | C5 | C6 | C7 | 77.8° | 59.2° |
| C5 | C4 | C12 | O1 | 45.0° | 87.0° |
| C4 | C5 | C6 | C11 | 72.4° | 59.6° |
| C4 | C5 | C6 | C7 | 105.2° | 120.7° |
| C5 | C4 | C12 | H9 | 165.2° | 33.0° |
| C5 | C4 | C12 | H10 | 75.1° | 153.1° |
| C12 | C4 | C5 | C6 | 3.7° | 0.1° |
| C4 | C12 | O1 | H9 | 120.2° | 120.0° |
| C4 | C12 | O1 | H10 | 120.2° | 120.0° |
| C4 | C12 | O1 | C29 | 119.7° | 180.0° |
| C4 | C12 | H9 | H10 | 119.5° | 120.0° |
| C5 | C6 | C11 | CL28 | 1.7° | 0.0° |
| C5 | C6 | C11 | C7 | 177.7° | 179.7° |
| C5 | C6 | C11 | C10 | 179.1° | 179.8° |
| C5 | C6 | C7 | CL1 | 1.6° | 0.1° |
| C5 | C6 | C7 | C8 | 179.0° | 180.0° |
| CL28 | C11 | C6 | C10 | 179.1° | 179.8° |
| CL28 | C11 | C6 | C7 | 179.4° | 179.7° |
| CL28 | C11 | C10 | C9 | 179.8° | 179.7° |
| CL28 | C11 | C10 | H8 | 0.2° | 0.1° |
| C12 | O1 | C29 | C30 | 58.8° | 150.0° |
| C12 | O1 | C29 | C34 | 178.8° | 89.7° |
| O1 | C12 | H9 | H10 | 119.4° | 120.0° |
| C12 | O1 | C29 | H15 | 59.9° | 30.1° |
| C11 | C6 | C7 | CL1 | 179.3° | 179.8° |
| C11 | C6 | C7 | C8 | 1.3° | 0.3° |
| C6 | C11 | C10 | C9 | 1.0° | 0.5° |
| C6 | C11 | C10 | H8 | 179.0° | 179.7° |
| C7 | C6 | C11 | C10 | 1.4° | 0.5° |
| C6 | C7 | CL1 | C8 | 179.5° | 179.9° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C6 | C7 | C8 | H6 | 179.2° | 180.0° |
| C11 | C10 | C9 | H8 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.5° | 0.3° |
| C11 | C10 | C9 | H7 | 179.5° | 179.7° |
| CL1 | C7 | C8 | C9 | 179.8° | 180.0° |
| CL1 | C7 | C8 | H6 | 0.2° | 0.0° |
| O1 | C29 | C30 | C34 | 120.6° | 120.1° |
| O1 | C29 | C30 | H15 | 119.4° | 119.9° |
| O1 | C29 | C34 | H15 | 119.7° | 119.8° |
| O1 | C29 | C30 | C31 | 79.9° | 66.0° |
| O1 | C29 | C34 | C33 | 80.2° | 66.1° |
| C29 | O1 | C12 | H9 | 120.1° | 60.0° |
| C29 | O1 | C12 | H10 | 0.5° | 60.0° |
| O1 | C29 | C30 | H16 | 40.5° | 53.8° |
| O1 | C29 | C30 | H17 | 159.7° | 174.1° |
| O1 | C29 | C34 | H20 | 159.3° | 174.1° |
| O1 | C29 | C34 | H21 | 40.3° | 53.8° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | H7 | 179.7° | 180.0° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | H6 | 179.7° | 180.0° |
| C30 | C29 | C34 | H15 | 120.0° | 120.1° |
| C29 | C30 | C31 | H16 | 120.4° | 119.8° |
| C29 | C30 | C31 | H17 | 120.4° | 119.8° |
| C29 | C30 | C31 | C13 | 54.4° | 47.6° |
| C29 | C30 | C31 | N32 | 58.9° | 64.1° |
| C30 | C29 | C34 | C33 | 40.1° | 54.0° |
| C29 | C30 | H16 | H17 | 118.8° | 120.3° |
| C29 | C30 | C31 | H18 | 179.4° | 171.6° |
| C30 | C29 | C34 | H20 | 80.4° | 65.8° |
| C30 | C29 | C34 | H21 | 160.6° | 173.9° |
| C34 | C29 | C30 | C31 | 40.7° | 54.0° |
| C29 | C34 | C33 | C14 | 56.3° | 47.7° |
| C29 | C34 | C33 | H20 | 120.5° | 119.8° |
| C29 | C34 | C33 | H21 | 120.5° | 119.9° |
| C29 | C34 | C33 | N32 | 57.3° | 64.1° |
| C34 | C29 | C30 | H16 | 161.1° | 173.9° |
| C34 | C29 | C30 | H17 | 79.7° | 65.8° |
| C29 | C34 | C33 | H19 | 179.2° | 172.0° |
| C29 | C34 | H20 | H21 | 118.5° | 120.3° |
| C30 | C31 | C13 | N32 | 118.0° | 113.7° |
| C30 | C31 | C13 | H18 | 125.0° | 124.0° |
| C30 | C31 | C13 | C14 | 88.4° | 88.5° |
| C30 | C31 | N32 | H18 | 121.2° | 123.8° |
| C30 | C31 | N32 | C33 | 72.7° | 72.6° |
| C30 | C31 | N32 | C35 | 154.7° | 168.3° |
| C30 | C31 | C13 | H11 | 30.8° | 152.6° |
| C30 | C31 | C13 | H12 | 152.4° | 30.3° |
| C31 | C30 | C29 | H15 | 160.7° | 174.0° |
| C31 | C30 | H16 | H17 | 118.8° | 120.3° |
| C31 | C13 | C14 | H11 | 119.2° | 118.9° |
| C31 | C13 | C14 | H12 | 119.2° | 118.9° |
| C13 | C31 | N32 | H18 | 116.4° | 122.0° |
| C31 | C13 | C14 | C33 | 0.0° | 0.0° |
| C13 | C31 | N32 | C33 | 49.6° | 41.6° |
| C13 | C31 | N32 | C35 | 82.9° | 77.5° |
| C31 | C13 | H11 | H12 | 122.4° | 122.3° |
| C31 | C13 | C14 | H13 | 119.1° | 118.9° |
| C31 | C13 | C14 | H14 | 119.1° | 118.8° |
| C13 | C31 | C30 | H16 | 65.9° | 72.2° |
| C13 | C31 | C30 | H17 | 174.8° | 167.4° |
| C14 | C13 | C31 | N32 | 29.6° | 25.2° |
| C13 | C14 | C33 | H13 | 119.1° | 118.9° |
| C13 | C14 | C33 | H14 | 119.1° | 118.8° |
| C13 | C14 | C33 | C34 | 88.4° | 88.6° |
| C13 | C14 | C33 | N32 | 29.6° | 25.2° |
| C14 | C13 | H11 | H12 | 122.4° | 122.2° |
| C13 | C14 | H13 | H14 | 122.7° | 122.3° |
| C14 | C13 | C31 | H18 | 146.6° | 147.5° |
| C13 | C14 | C33 | H19 | 147.1° | 146.9° |
| C8 | C9 | C10 | H8 | 179.6° | 179.9° |
| C31 | N32 | C33 | C14 | 50.0° | 41.6° |
| C31 | N32 | C33 | C34 | 71.7° | 72.6° |
| C31 | N32 | C33 | C35 | 129.3° | 119.1° |
| C31 | N32 | C35 | C40 | 49.2° | 180.0° |
| C31 | N32 | C35 | C36 | 130.2° | 0.3° |
| N32 | C31 | C13 | H11 | 148.7° | 93.7° |
| N32 | C31 | C13 | H12 | 89.7° | 144.0° |
| N32 | C31 | C30 | H16 | 179.3° | 176.1° |
| N32 | C31 | C30 | H17 | 61.5° | 55.7° |
| C31 | N32 | C33 | H19 | 166.9° | 163.2° |
| C14 | C33 | C34 | N32 | 113.6° | 111.8° |
| C14 | C33 | C34 | H19 | 124.5° | 124.3° |
| C14 | C33 | N32 | H19 | 116.9° | 121.7° |
| C14 | C33 | N32 | C35 | 79.3° | 77.5° |
| C33 | C14 | C13 | H11 | 119.2° | 118.9° |
| C33 | C14 | C13 | H12 | 119.2° | 118.9° |
| C33 | C14 | H13 | H14 | 122.7° | 122.3° |
| C14 | C33 | C34 | H20 | 176.8° | 167.5° |
| C14 | C33 | C34 | H21 | 64.2° | 72.2° |
| C34 | C33 | N32 | H19 | 121.4° | 124.2° |
| C34 | C33 | N32 | C35 | 159.0° | 168.4° |
| C34 | C33 | C14 | H13 | 30.7° | 30.3° |
| C34 | C33 | C14 | H14 | 152.5° | 152.6° |
| C33 | C34 | C29 | H15 | 160.1° | 174.0° |
| C33 | C34 | H20 | H21 | 118.6° | 120.4° |
| C33 | N32 | C35 | C40 | 172.5° | 65.5° |
| C33 | N32 | C35 | C36 | 6.8° | 114.7° |
| N32 | C33 | C14 | H13 | 148.7° | 144.0° |
| N32 | C33 | C14 | H14 | 89.4° | 93.6° |
| C33 | N32 | C31 | H18 | 166.0° | 163.6° |
| N32 | C33 | C34 | H20 | 63.2° | 55.7° |
| N32 | C33 | C34 | H21 | 177.8° | 176.1° |
| N32 | C35 | C40 | C36 | 179.4° | 179.8° |
| N32 | C35 | C40 | C39 | 178.9° | 179.7° |
| N32 | C35 | C36 | C37 | 178.6° | 179.7° |
| C35 | N32 | C31 | H18 | 33.5° | 44.5° |
| C35 | N32 | C33 | H19 | 37.6° | 44.2° |
| N32 | C35 | C36 | H22 | 1.4° | 0.2° |
| N32 | C35 | C40 | H24 | 1.1° | 0.2° |
| C35 | C40 | C39 | H24 | 180.0° | 179.9° |
| C40 | C35 | C36 | C37 | 0.8° | 0.0° |
| C35 | C40 | C39 | F1 | 179.8° | 180.0° |
| C35 | C40 | C39 | C38 | 0.1° | 0.0° |
| C40 | C35 | C36 | H22 | 179.2° | 180.0° |
| C36 | C35 | C40 | C39 | 0.5° | 0.0° |
| C35 | C36 | C37 | H22 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.0° |
| C35 | C36 | C37 | H23 | 179.3° | 180.0° |
| C36 | C35 | C40 | H24 | 179.5° | 180.0° |
| C40 | C39 | F1 | C38 | 179.9° | 180.0° |
| C40 | C39 | C38 | C37 | 0.0° | 0.0° |
| C40 | C39 | C38 | C41 | 179.7° | 180.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C36 | C37 | C38 | H23 | 180.0° | 179.9° |
| C36 | C37 | C38 | C41 | 179.4° | 180.0° |
| F1 | C39 | C38 | C37 | 179.9° | 180.0° |
| F1 | C39 | C38 | C41 | 0.4° | 0.0° |
| F1 | C39 | C40 | H24 | 0.2° | 0.0° |
| C39 | C38 | C37 | C41 | 179.7° | 180.0° |
| C39 | C38 | C41 | N45 | 1.0° | 0.1° |
| C39 | C38 | C41 | N42 | 179.0° | 179.7° |
| C39 | C38 | C37 | H23 | 179.7° | 179.9° |
| C38 | C39 | C40 | H24 | 179.9° | 180.0° |
| C37 | C38 | C41 | N45 | 178.7° | 179.9° |
| C37 | C38 | C41 | N42 | 1.3° | 0.3° |
| C38 | C37 | C36 | H22 | 179.3° | 180.0° |
| C38 | C41 | N45 | N42 | 180.0° | 179.7° |
| C38 | C41 | N45 | O44 | 179.9° | 180.0° |
| C38 | C41 | N42 | C43 | 180.0° | 180.0° |
| C41 | C38 | C37 | H23 | 0.5° | 0.0° |
| C38 | C41 | N42 | H25 | 0.0° | 0.1° |
| N45 | C41 | N42 | C43 | 0.0° | 0.3° |
| C41 | N45 | O44 | C43 | 0.2° | 0.2° |
| N45 | C41 | N42 | H25 | 180.0° | 179.8° |
| N42 | C41 | N45 | O44 | 0.1° | 0.3° |
| C41 | N42 | C43 | H25 | 180.0° | 179.9° |
| C41 | N42 | C43 | O44 | 0.1° | 0.2° |
| C41 | N42 | C43 | O46 | 179.8° | 179.9° |
| N45 | O44 | C43 | N42 | 0.2° | 0.0° |
| N45 | O44 | C43 | O46 | 180.0° | 179.9° |
| N42 | C43 | O44 | O46 | 179.8° | 179.9° |
| O44 | C43 | N42 | H25 | 179.9° | 179.9° |
| O46 | C43 | N42 | H25 | 0.2° | 0.0° |
| H1 | C | C1 | H3 | 144.5° | 0.0° |
| H1 | C | C2 | H4 | 140.8° | 0.0° |
| H1 | C | C2 | H5 | 0.0° | 145.0° |
| H2 | C | C1 | H3 | 3.8° | 145.0° |
| H2 | C | C2 | H4 | 0.0° | 145.0° |
| H2 | C | C2 | H5 | 140.8° | 0.1° |
| H3 | C1 | C2 | H4 | 3.7° | 0.0° |
| H3 | C1 | C2 | H5 | 144.5° | 145.1° |
| H6 | C8 | C9 | H7 | 0.3° | 0.0° |
| H7 | C9 | C10 | H8 | 0.5° | 0.1° |
| H11 | C13 | C14 | H13 | 0.1° | 122.3° |
| H11 | C13 | C14 | H14 | 121.8° | 0.1° |
| H11 | C13 | C31 | H18 | 94.2° | 28.6° |
| H12 | C13 | C14 | H13 | 121.7° | 0.0° |
| H12 | C13 | C14 | H14 | 0.2° | 122.3° |
| H12 | C13 | C31 | H18 | 27.4° | 93.6° |
| H13 | C14 | C33 | H19 | 93.8° | 94.2° |
| H14 | C14 | C33 | H19 | 28.0° | 28.1° |
| H15 | C29 | C30 | H16 | 78.9° | 66.1° |
| H15 | C29 | C30 | H17 | 40.3° | 54.2° |
| H15 | C29 | C34 | H20 | 39.6° | 54.2° |
| H15 | C29 | C34 | H21 | 79.4° | 66.1° |
| H16 | C30 | C31 | H18 | 59.0° | 51.8° |
| H17 | C30 | C31 | H18 | 60.2° | 68.5° |
| H19 | C33 | C34 | H20 | 58.7° | 68.3° |
| H19 | C33 | C34 | H21 | 60.3° | 52.1° |
| H22 | C36 | C37 | H23 | 0.7° | 0.1° |
