20U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C21 | C11 | sing | 1.53Å | 1.54Å | |
| O2 | C2 | doub | 1.21Å | 1.24Å | |
| N12 | C11 | sing | 1.49Å | 1.49Å | |
| N12 | C13 | sing | 1.49Å | 1.51Å | |
| C2 | N1 | sing | 1.35Å | 1.41Å | |
| C2 | C3 | sing | 1.50Å | 1.53Å | |
| C11 | C3 | sing | 1.53Å | 1.51Å | |
| N1 | C9 | sing | 1.40Å | 1.42Å | |
| C44 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C44 | C43 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.50Å | 1.51Å | |
| C3 | C14 | sing | 1.53Å | 1.53Å | |
| C9 | C7 | doub | 1.39Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | C41 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| N42 | C43 | sing | 1.39Å | 1.44Å | |
| N42 | C41 | sing | 1.35Å | 1.41Å | |
| N51 | C51 | sing | 1.35Å | 1.38Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C48 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | O41 | doub | 1.21Å | 1.23Å | |
| C14 | C31 | sing | 1.51Å | 1.51Å | |
| C46 | C51 | sing | 1.48Å | 1.47Å | |
| C46 | C47 | doub | 1.40Å | 1.41Å | Aromatic |
| C36 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C51 | O51 | doub | 1.22Å | 1.24Å | |
| C6 | CL1 | sing | 1.74Å | 1.72Å | |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | F1 | sing | 1.35Å | 1.35Å | |
| C32 | C33 | doub | 1.39Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | CL2 | sing | 1.74Å | 1.74Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| N12 | H15 | sing | 1.01Å | 1.00Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N42 | H22 | sing | 0.97Å | 1.00Å | |
| C48 | H23 | sing | 1.08Å | 1.08Å | |
| C44 | H24 | sing | 1.08Å | 1.08Å | |
| C45 | H25 | sing | 1.08Å | 1.08Å | |
| N51 | H26 | sing | 0.97Å | 1.00Å | |
| N51 | H27 | sing | 0.97Å | 1.00Å | |
| C47 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C5 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C25 | 109.4° | 109.5° |
| C23 | C22 | C21 | 109.5° | 109.5° |
| C23 | C22 | C24 | 109.2° | 109.4° |
| C22 | C23 | H12 | 109.5° | 109.4° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C25 | C22 | C21 | 110.1° | 109.5° |
| C25 | C22 | C24 | 109.4° | 109.5° |
| C22 | C25 | H6 | 109.5° | 109.5° |
| C22 | C25 | H7 | 109.4° | 109.5° |
| C22 | C25 | H8 | 109.5° | 109.5° |
| C21 | C22 | C24 | 109.2° | 109.5° |
| C22 | C21 | C11 | 111.1° | 109.5° |
| C22 | C21 | H4 | 109.1° | 109.5° |
| C22 | C21 | H5 | 109.1° | 109.5° |
| C22 | C24 | H9 | 109.5° | 109.4° |
| C22 | C24 | H10 | 109.5° | 109.5° |
| C22 | C24 | H11 | 109.5° | 109.5° |
| C21 | C11 | N12 | 111.5° | 110.5° |
| C21 | C11 | C3 | 112.5° | 110.5° |
| C21 | C11 | H3 | 109.4° | 110.4° |
| C11 | C21 | H4 | 109.1° | 109.4° |
| C11 | C21 | H5 | 109.1° | 109.4° |
| O2 | C2 | N1 | 123.5° | 126.6° |
| O2 | C2 | C3 | 127.7° | 126.7° |
| C11 | N12 | C13 | 106.9° | 104.4° |
| N12 | C11 | C3 | 103.7° | 104.4° |
| N12 | C11 | H3 | 109.9° | 110.5° |
| C11 | N12 | H15 | 110.1° | 111.0° |
| N12 | C13 | C41 | 108.9° | 110.4° |
| N12 | C13 | C14 | 105.9° | 104.7° |
| C13 | N12 | H15 | 110.1° | 111.1° |
| N12 | C13 | H21 | 110.0° | 110.4° |
| N1 | C2 | C3 | 108.9° | 106.7° |
| C2 | N1 | C9 | 108.6° | 112.1° |
| C2 | N1 | H1 | 125.7° | 123.9° |
| C2 | C3 | C11 | 109.8° | 111.4° |
| C2 | C3 | C8 | 100.9° | 105.1° |
| C2 | C3 | C14 | 113.6° | 111.4° |
| C11 | C3 | C8 | 114.1° | 111.3° |
| C11 | C3 | C14 | 102.4° | 106.0° |
| C3 | C11 | H3 | 109.6° | 110.5° |
| N1 | C9 | C7 | 125.1° | 130.8° |
| N1 | C9 | C8 | 110.2° | 110.2° |
| C9 | N1 | H1 | 125.7° | 123.9° |
| C45 | C44 | C43 | 119.5° | 120.0° |
| C44 | C45 | C46 | 120.1° | 119.9° |
| C45 | C44 | H24 | 120.3° | 119.9° |
| C44 | C45 | H25 | 119.9° | 120.0° |
| C44 | C43 | N42 | 116.7° | 119.9° |
| C44 | C43 | C48 | 122.0° | 120.2° |
| C43 | C44 | H24 | 120.2° | 120.0° |
| C45 | C46 | C51 | 119.7° | 120.1° |
| C45 | C46 | C47 | 119.7° | 119.9° |
| C46 | C45 | H25 | 119.9° | 120.1° |
| C8 | C3 | C14 | 116.4° | 111.7° |
| C3 | C8 | C9 | 111.2° | 105.8° |
| C3 | C8 | C4 | 127.8° | 133.5° |
| C3 | C14 | C13 | 103.3° | 104.7° |
| C3 | C14 | C31 | 114.7° | 110.4° |
| C3 | C14 | H17 | 108.4° | 110.4° |
| C7 | C9 | C8 | 124.6° | 119.0° |
| C9 | C7 | C6 | 116.2° | 120.2° |
| C9 | C7 | H2 | 121.9° | 119.9° |
| C9 | C8 | C4 | 121.0° | 120.7° |
| C41 | C13 | C14 | 111.9° | 110.4° |
| C13 | C41 | N42 | 114.0° | 120.0° |
| C13 | C41 | O41 | 124.0° | 120.0° |
| C41 | C13 | H21 | 110.3° | 110.3° |
| C13 | C14 | C31 | 113.2° | 110.4° |
| C13 | C14 | H17 | 108.3° | 110.5° |
| C14 | C13 | H21 | 109.7° | 110.5° |
| C43 | N42 | C41 | 126.6° | 120.0° |
| N42 | C43 | C48 | 121.3° | 119.9° |
| C43 | N42 | H22 | 116.7° | 120.0° |
| N42 | C41 | O41 | 121.9° | 120.0° |
| C41 | N42 | H22 | 116.7° | 120.0° |
| N51 | C51 | C46 | 117.7° | 120.0° |
| N51 | C51 | O51 | 118.8° | 120.0° |
| C51 | N51 | H26 | 120.0° | 120.0° |
| C51 | N51 | H27 | 120.0° | 120.0° |
| C7 | C6 | CL1 | 119.6° | 119.8° |
| C7 | C6 | C5 | 121.0° | 120.3° |
| C6 | C7 | H2 | 121.9° | 119.9° |
| C43 | C48 | C47 | 118.5° | 120.0° |
| C43 | C48 | H23 | 120.7° | 120.0° |
| C8 | C4 | C5 | 117.6° | 120.0° |
| C8 | C4 | H29 | 121.2° | 120.0° |
| C14 | C31 | C36 | 121.9° | 120.0° |
| C14 | C31 | C32 | 119.5° | 120.0° |
| C31 | C14 | H17 | 108.6° | 110.4° |
| C51 | C46 | C47 | 120.6° | 120.1° |
| C46 | C51 | O51 | 123.6° | 120.0° |
| C46 | C47 | C48 | 120.1° | 119.9° |
| C46 | C47 | H28 | 120.0° | 120.0° |
| C31 | C36 | C35 | 119.3° | 120.0° |
| C36 | C31 | C32 | 118.6° | 120.1° |
| C31 | C36 | H18 | 120.3° | 120.0° |
| C36 | C35 | C34 | 120.3° | 120.1° |
| C35 | C36 | H18 | 120.4° | 119.9° |
| C36 | C35 | H19 | 119.9° | 120.0° |
| CL1 | C6 | C5 | 119.4° | 119.9° |
| C6 | C5 | C4 | 119.6° | 119.9° |
| C6 | C5 | H30 | 120.2° | 120.0° |
| C5 | C4 | H29 | 121.2° | 120.0° |
| C4 | C5 | H30 | 120.2° | 120.1° |
| C47 | C48 | H23 | 120.8° | 120.0° |
| C48 | C47 | H28 | 119.9° | 120.0° |
| C31 | C32 | F1 | 118.4° | 120.1° |
| C31 | C32 | C33 | 123.3° | 119.9° |
| C35 | C34 | C33 | 119.0° | 120.0° |
| C34 | C35 | H19 | 119.9° | 119.9° |
| C35 | C34 | H20 | 120.5° | 120.0° |
| F1 | C32 | C33 | 118.2° | 120.1° |
| C32 | C33 | C34 | 119.5° | 120.0° |
| C32 | C33 | CL2 | 120.0° | 120.0° |
| C34 | C33 | CL2 | 120.5° | 120.0° |
| C33 | C34 | H20 | 120.5° | 120.0° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C25 | H7 | 109.5° | 109.5° |
| H6 | C25 | H8 | 109.5° | 109.5° |
| H7 | C25 | H8 | 109.4° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H12 | C23 | H14 | 109.4° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H26 | N51 | H27 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C25 | C21 | 120.4° | 120.0° |
| C23 | C22 | C25 | C24 | 119.6° | 120.0° |
| C23 | C22 | C21 | C24 | 119.6° | 120.0° |
| C23 | C22 | C21 | C11 | 170.5° | 177.5° |
| C23 | C22 | C21 | H4 | 69.2° | 57.6° |
| C23 | C22 | C21 | H5 | 50.3° | 62.5° |
| C23 | C22 | C25 | H6 | 180.0° | 180.0° |
| C23 | C22 | C25 | H7 | 60.0° | 60.0° |
| C23 | C22 | C25 | H8 | 60.0° | 60.0° |
| C23 | C22 | C24 | H9 | 180.0° | 71.9° |
| C23 | C22 | C24 | H10 | 60.0° | 48.1° |
| C23 | C22 | C24 | H11 | 60.0° | 168.1° |
| C22 | C23 | H12 | H13 | 120.0° | 120.0° |
| C22 | C23 | H12 | H14 | 120.0° | 120.0° |
| C22 | C23 | H13 | H14 | 120.0° | 120.0° |
| C25 | C22 | C21 | C24 | 120.1° | 120.0° |
| C25 | C22 | C21 | C11 | 50.2° | 62.4° |
| C25 | C22 | C21 | H4 | 170.4° | 177.6° |
| C25 | C22 | C21 | H5 | 70.0° | 57.5° |
| C22 | C25 | H6 | H7 | 120.0° | 120.0° |
| C22 | C25 | H6 | H8 | 120.0° | 120.0° |
| C22 | C25 | H7 | H8 | 120.0° | 120.0° |
| C25 | C22 | C24 | H9 | 60.3° | 168.1° |
| C25 | C22 | C24 | H10 | 59.7° | 71.9° |
| C25 | C22 | C24 | H11 | 179.7° | 48.1° |
| C25 | C22 | C23 | H12 | 180.0° | 60.0° |
| C25 | C22 | C23 | H13 | 60.0° | 60.0° |
| C25 | C22 | C23 | H14 | 60.0° | 180.0° |
| C22 | C21 | C11 | H4 | 120.3° | 120.0° |
| C22 | C21 | C11 | H5 | 120.2° | 120.0° |
| C22 | C21 | C11 | N12 | 90.0° | 78.6° |
| C22 | C21 | C11 | C3 | 153.9° | 166.4° |
| C22 | C21 | C11 | H3 | 31.8° | 43.9° |
| C22 | C21 | H4 | H5 | 119.3° | 120.1° |
| C21 | C22 | C25 | H6 | 59.6° | 60.0° |
| C21 | C22 | C25 | H7 | 60.4° | 180.0° |
| C21 | C22 | C25 | H8 | 179.6° | 60.0° |
| C21 | C22 | C24 | H9 | 60.2° | 48.1° |
| C21 | C22 | C24 | H10 | 179.8° | 168.1° |
| C21 | C22 | C24 | H11 | 59.8° | 71.9° |
| C21 | C22 | C23 | H12 | 59.2° | 60.0° |
| C21 | C22 | C23 | H13 | 179.3° | 180.0° |
| C21 | C22 | C23 | H14 | 60.7° | 60.0° |
| C24 | C22 | C21 | C11 | 69.9° | 57.6° |
| C24 | C22 | C21 | H4 | 50.4° | 62.4° |
| C24 | C22 | C21 | H5 | 169.9° | 177.5° |
| C24 | C22 | C25 | H6 | 60.4° | 60.0° |
| C24 | C22 | C25 | H7 | 179.6° | 60.0° |
| C24 | C22 | C25 | H8 | 59.7° | 180.0° |
| C22 | C24 | H9 | H10 | 120.0° | 120.0° |
| C22 | C24 | H9 | H11 | 120.0° | 120.0° |
| C22 | C24 | H10 | H11 | 120.0° | 120.0° |
| C24 | C22 | C23 | H12 | 60.3° | 180.0° |
| C24 | C22 | C23 | H13 | 59.7° | 60.0° |
| C24 | C22 | C23 | H14 | 179.7° | 60.0° |
| C21 | C11 | N12 | C3 | 121.3° | 118.8° |
| C21 | C11 | N12 | H3 | 121.5° | 122.5° |
| C21 | C11 | N12 | C13 | 150.0° | 80.2° |
| C21 | C11 | C3 | C2 | 41.5° | 25.7° |
| C21 | C11 | C3 | H3 | 121.9° | 122.4° |
| C21 | C11 | C3 | C8 | 70.9° | 142.6° |
| C21 | C11 | C3 | C14 | 162.4° | 95.7° |
| C11 | C21 | H4 | H5 | 119.3° | 119.9° |
| C21 | C11 | N12 | H15 | 30.4° | 39.4° |
| O2 | C2 | N1 | C3 | 179.7° | 180.0° |
| O2 | C2 | C3 | C11 | 63.2° | 59.0° |
| O2 | C2 | N1 | C9 | 177.0° | 179.9° |
| O2 | C2 | C3 | C8 | 176.1° | 179.7° |
| O2 | C2 | C3 | C14 | 50.7° | 59.2° |
| O2 | C2 | N1 | H1 | 3.0° | 0.3° |
| C11 | N12 | C13 | H15 | 119.6° | 119.6° |
| N12 | C11 | C3 | C2 | 79.2° | 144.5° |
| N12 | C11 | C3 | H3 | 117.4° | 118.8° |
| N12 | C11 | C3 | C8 | 168.4° | 98.6° |
| N12 | C11 | C3 | C14 | 41.7° | 23.1° |
| C11 | N12 | C13 | C41 | 116.1° | 157.7° |
| C11 | N12 | C13 | C14 | 4.4° | 38.9° |
| N12 | C11 | C21 | H4 | 149.7° | 41.5° |
| N12 | C11 | C21 | H5 | 30.2° | 161.4° |
| C11 | N12 | C13 | H21 | 122.9° | 80.0° |
| C13 | N12 | C11 | C3 | 28.7° | 38.6° |
| N12 | C13 | C14 | C3 | 21.2° | 23.8° |
| N12 | C13 | C41 | C14 | 116.7° | 115.2° |
| N12 | C13 | C41 | H21 | 120.8° | 122.3° |
| N12 | C13 | C14 | H21 | 118.7° | 118.9° |
| N12 | C13 | C41 | N42 | 7.6° | 161.4° |
| N12 | C13 | C41 | O41 | 172.1° | 18.6° |
| N12 | C13 | C14 | C31 | 145.9° | 142.5° |
| C13 | N12 | C11 | H3 | 88.5° | 157.3° |
| N12 | C13 | C14 | H17 | 93.6° | 95.1° |
| N1 | C2 | C3 | C11 | 116.5° | 121.1° |
| C2 | N1 | C9 | H1 | 180.0° | 179.8° |
| N1 | C2 | C3 | C8 | 4.2° | 0.4° |
| N1 | C2 | C3 | C14 | 129.6° | 120.7° |
| C2 | N1 | C9 | C7 | 179.2° | 179.7° |
| C2 | N1 | C9 | C8 | 0.8° | 0.2° |
| C2 | C3 | C11 | C8 | 112.4° | 116.9° |
| C2 | C3 | C11 | C14 | 120.9° | 121.4° |
| C3 | C2 | N1 | C9 | 3.3° | 0.1° |
| C2 | C3 | C8 | C14 | 123.4° | 120.9° |
| C2 | C3 | C8 | C9 | 3.9° | 0.5° |
| C2 | C3 | C14 | C13 | 79.8° | 121.0° |
| C2 | C3 | C8 | C4 | 177.0° | 180.0° |
| C2 | C3 | C14 | C31 | 43.9° | 2.2° |
| C3 | C2 | N1 | H1 | 176.7° | 179.6° |
| C2 | C3 | C11 | H3 | 163.4° | 96.7° |
| C2 | C3 | C14 | H17 | 165.5° | 120.0° |
| C11 | C3 | C8 | C14 | 118.9° | 118.3° |
| C11 | C3 | C8 | C9 | 113.8° | 121.2° |
| C11 | C3 | C14 | C13 | 38.6° | 0.3° |
| C11 | C3 | C8 | C4 | 65.3° | 59.2° |
| C11 | C3 | C14 | C31 | 162.2° | 119.1° |
| C3 | C11 | C21 | H4 | 33.6° | 73.6° |
| C3 | C11 | C21 | H5 | 85.9° | 46.4° |
| C3 | C11 | N12 | H15 | 90.9° | 158.2° |
| C11 | C3 | C14 | H17 | 76.2° | 118.6° |
| N1 | C9 | C8 | C3 | 2.1° | 0.4° |
| N1 | C9 | C7 | C8 | 180.0° | 179.9° |
| N1 | C9 | C7 | C6 | 178.3° | 180.0° |
| N1 | C9 | C8 | C4 | 178.7° | 180.0° |
| N1 | C9 | C7 | H2 | 1.7° | 0.0° |
| C45 | C44 | C43 | H24 | 180.0° | 180.0° |
| C44 | C45 | C46 | H25 | 180.0° | 180.0° |
| C45 | C44 | C43 | N42 | 176.8° | 180.0° |
| C45 | C44 | C43 | C48 | 2.3° | 0.2° |
| C44 | C45 | C46 | C51 | 177.6° | 180.0° |
| C44 | C45 | C46 | C47 | 2.0° | 0.2° |
| C43 | C44 | C45 | C46 | 0.1° | 0.0° |
| C44 | C43 | N42 | C48 | 179.1° | 179.8° |
| C44 | C43 | N42 | C41 | 173.4° | 34.2° |
| C44 | C43 | C48 | C47 | 2.3° | 0.2° |
| C44 | C43 | N42 | H22 | 6.6° | 145.7° |
| C44 | C43 | C48 | H23 | 177.7° | 179.7° |
| C43 | C44 | C45 | H25 | 179.9° | 179.9° |
| C45 | C46 | C51 | N51 | 4.0° | 180.0° |
| C45 | C46 | C51 | C47 | 179.6° | 179.8° |
| C45 | C46 | C51 | O51 | 176.1° | 0.0° |
| C45 | C46 | C47 | C48 | 2.0° | 0.2° |
| C46 | C45 | C44 | H24 | 179.8° | 180.0° |
| C45 | C46 | C47 | H28 | 178.0° | 179.8° |
| C3 | C8 | C9 | C7 | 177.9° | 179.5° |
| C3 | C8 | C9 | C4 | 179.2° | 179.6° |
| C8 | C3 | C14 | C13 | 163.7° | 121.8° |
| C8 | C3 | C14 | C31 | 72.7° | 119.4° |
| C3 | C8 | C4 | C5 | 178.6° | 179.4° |
| C8 | C3 | C11 | H3 | 51.0° | 20.2° |
| C8 | C3 | C14 | H17 | 48.9° | 2.9° |
| C3 | C8 | C4 | H29 | 1.4° | 0.6° |
| C14 | C3 | C8 | C9 | 127.2° | 120.4° |
| C3 | C14 | C13 | C41 | 139.8° | 142.5° |
| C3 | C14 | C13 | C31 | 124.6° | 118.8° |
| C3 | C14 | C13 | H17 | 114.8° | 118.8° |
| C14 | C3 | C8 | C4 | 53.6° | 59.1° |
| C3 | C14 | C31 | H17 | 121.5° | 122.3° |
| C3 | C14 | C31 | C36 | 90.4° | 81.4° |
| C3 | C14 | C31 | C32 | 91.3° | 99.0° |
| C14 | C3 | C11 | H3 | 75.6° | 141.9° |
| C3 | C14 | C13 | H21 | 97.4° | 95.1° |
| C9 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C9 | C8 | C4 | 1.3° | 0.1° |
| C9 | C7 | C6 | CL1 | 178.0° | 180.0° |
| C9 | C7 | C6 | C5 | 1.4° | 0.0° |
| C7 | C9 | N1 | H1 | 0.8° | 0.0° |
| C8 | C9 | C7 | C6 | 1.7° | 0.1° |
| C9 | C8 | C4 | C5 | 0.5° | 0.1° |
| C8 | C9 | N1 | H1 | 179.2° | 180.0° |
| C8 | C9 | C7 | H2 | 178.3° | 180.0° |
| C9 | C8 | C4 | H29 | 179.5° | 179.9° |
| C41 | C13 | C14 | H21 | 122.8° | 122.4° |
| C13 | C41 | N42 | C43 | 172.8° | 175.6° |
| C13 | C41 | N42 | O41 | 179.7° | 180.0° |
| C41 | C13 | C14 | C31 | 95.6° | 98.7° |
| C41 | C13 | N12 | H15 | 124.3° | 82.7° |
| C41 | C13 | C14 | H17 | 25.0° | 23.7° |
| C13 | C41 | N42 | H22 | 7.3° | 4.4° |
| C14 | C13 | C41 | N42 | 124.3° | 83.3° |
| C14 | C13 | C41 | O41 | 55.4° | 96.7° |
| C13 | C14 | C31 | H17 | 120.4° | 122.5° |
| C13 | C14 | C31 | C36 | 27.8° | 33.9° |
| C13 | C14 | C31 | C32 | 150.6° | 145.8° |
| C14 | C13 | N12 | H15 | 115.2° | 158.5° |
| C43 | N42 | C41 | H22 | 180.0° | 179.9° |
| C43 | N42 | C41 | O41 | 7.5° | 4.4° |
| N42 | C43 | C48 | C47 | 176.8° | 180.0° |
| N42 | C43 | C48 | H23 | 3.2° | 0.1° |
| N42 | C43 | C44 | H24 | 3.2° | 0.0° |
| C41 | N42 | C43 | C48 | 5.7° | 146.0° |
| N42 | C41 | C13 | H21 | 113.2° | 39.1° |
| N51 | C51 | C46 | O51 | 179.9° | 180.0° |
| N51 | C51 | C46 | C47 | 175.6° | 0.2° |
| C51 | N51 | H26 | H27 | 180.0° | 180.0° |
| C7 | C6 | CL1 | C5 | 179.4° | 180.0° |
| C7 | C6 | C5 | C4 | 0.7° | 0.0° |
| C7 | C6 | C5 | H30 | 179.3° | 179.9° |
| C43 | C48 | C47 | C46 | 0.1° | 0.0° |
| C43 | C48 | C47 | H23 | 180.0° | 179.9° |
| C48 | C43 | N42 | H22 | 174.2° | 34.1° |
| C48 | C43 | C44 | H24 | 177.7° | 179.8° |
| C43 | C48 | C47 | H28 | 179.9° | 180.0° |
| C8 | C4 | C5 | C6 | 0.2° | 0.0° |
| C8 | C4 | C5 | H29 | 180.0° | 180.0° |
| C8 | C4 | C5 | H30 | 179.8° | 180.0° |
| O41 | C41 | C13 | H21 | 67.1° | 140.9° |
| O41 | C41 | N42 | H22 | 172.5° | 175.6° |
| C14 | C31 | C36 | C32 | 178.4° | 179.7° |
| C14 | C31 | C36 | C35 | 177.9° | 180.0° |
| C14 | C31 | C32 | F1 | 0.7° | 0.0° |
| C14 | C31 | C32 | C33 | 178.6° | 179.7° |
| C14 | C31 | C36 | H18 | 2.1° | 0.0° |
| C31 | C14 | C13 | H21 | 27.2° | 23.7° |
| C51 | C46 | C47 | C48 | 177.5° | 180.0° |
| C51 | C46 | C45 | H25 | 2.5° | 0.1° |
| C46 | C51 | N51 | H26 | 179.9° | 0.0° |
| C46 | C51 | N51 | H27 | 0.1° | 180.0° |
| C51 | C46 | C47 | H28 | 2.4° | 0.0° |
| C47 | C46 | C51 | O51 | 4.4° | 179.8° |
| C46 | C47 | C48 | H28 | 180.0° | 180.0° |
| C46 | C47 | C48 | H23 | 179.9° | 179.9° |
| C47 | C46 | C45 | H25 | 178.0° | 179.7° |
| C31 | C36 | C35 | H18 | 180.0° | 180.0° |
| C31 | C36 | C35 | C34 | 0.3° | NaN° |
| C36 | C31 | C32 | F1 | 179.2° | 179.7° |
| C36 | C31 | C32 | C33 | 0.1° | 0.6° |
| C36 | C31 | C14 | H17 | 148.2° | 156.4° |
| C31 | C36 | C35 | H19 | 179.7° | 179.9° |
| C35 | C36 | C31 | C32 | 0.5° | 0.3° |
| C36 | C35 | C34 | H19 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.7° | 0.0° |
| C36 | C35 | C34 | H20 | 179.3° | 180.0° |
| O51 | C51 | N51 | H26 | 0.0° | 180.0° |
| O51 | C51 | N51 | H27 | 180.0° | 0.0° |
| CL1 | C6 | C5 | C4 | 178.7° | 180.0° |
| CL1 | C6 | C7 | H2 | 2.0° | 0.0° |
| CL1 | C6 | C5 | H30 | 1.3° | 0.1° |
| C6 | C5 | C4 | H30 | 180.0° | 180.0° |
| C5 | C6 | C7 | H2 | 178.6° | 180.0° |
| C6 | C5 | C4 | H29 | 179.8° | 180.0° |
| C31 | C32 | F1 | C33 | 179.4° | 179.7° |
| C31 | C32 | C33 | C34 | 1.1° | 0.6° |
| C31 | C32 | C33 | CL2 | 178.6° | 179.7° |
| C32 | C31 | C14 | H17 | 30.2° | 23.3° |
| C32 | C31 | C36 | H18 | 179.5° | 179.7° |
| C35 | C34 | C33 | C32 | 1.3° | 0.3° |
| C35 | C34 | C33 | H20 | 180.0° | 179.9° |
| C35 | C34 | C33 | CL2 | 178.3° | 180.0° |
| C34 | C35 | C36 | H18 | 179.8° | 180.0° |
| F1 | C32 | C33 | C34 | 178.2° | 179.7° |
| F1 | C32 | C33 | CL2 | 2.1° | 0.0° |
| C32 | C33 | C34 | CL2 | 179.7° | 179.7° |
| C32 | C33 | C34 | H20 | 178.6° | 179.8° |
| C33 | C34 | C35 | H19 | 179.3° | 179.9° |
| CL2 | C33 | C34 | H20 | 1.7° | 0.0° |
| H3 | C11 | C21 | H4 | 88.5° | 164.0° |
| H3 | C11 | C21 | H5 | 152.0° | 76.1° |
| H3 | C11 | N12 | H15 | 151.9° | 83.0° |
| H6 | C25 | H7 | H8 | 120.0° | 120.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.1° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H15 | N12 | C13 | H21 | 3.3° | 39.6° |
| H17 | C14 | C13 | H21 | 147.7° | 146.1° |
| H18 | C36 | C35 | H19 | 0.3° | 0.1° |
| H19 | C35 | C34 | H20 | 0.7° | 0.0° |
| H23 | C48 | C47 | H28 | 0.1° | 0.1° |
| H24 | C44 | C45 | H25 | 0.1° | 0.0° |
| H29 | C4 | C5 | H30 | 0.2° | 0.0° |
