20W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N51 | C51 | sing | 1.35Å | 1.40Å | |
| C51 | C46 | sing | 1.48Å | 1.47Å | |
| C51 | O51 | doub | 1.22Å | 1.25Å | |
| C47 | C46 | doub | 1.40Å | 1.42Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| CL2 | C33 | sing | 1.74Å | 1.75Å | |
| C46 | C45 | sing | 1.40Å | 1.41Å | Aromatic |
| C48 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| F1 | C32 | sing | 1.35Å | 1.34Å | |
| CL1 | C5 | sing | 1.74Å | 1.77Å | |
| O41 | C41 | doub | 1.21Å | 1.24Å | |
| S4 | C5 | sing | 1.76Å | 1.78Å | Aromatic |
| S4 | C7 | sing | 1.76Å | 1.73Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.38Å | Aromatic |
| C43 | N42 | sing | 1.40Å | 1.42Å | |
| C5 | C6 | doub | 1.33Å | 1.39Å | Aromatic |
| C44 | O49 | sing | 1.36Å | 1.39Å | |
| C41 | N42 | sing | 1.35Å | 1.40Å | |
| C41 | C13 | sing | 1.51Å | 1.49Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C14 | sing | 1.51Å | 1.50Å | |
| C31 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.55Å | 1.52Å | |
| C14 | C3 | sing | 1.54Å | 1.53Å | |
| C7 | C3 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.35Å | 1.30Å | Aromatic |
| C13 | N12 | sing | 1.49Å | 1.51Å | |
| C6 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | C11 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.50Å | 1.54Å | |
| O49 | C50 | sing | 1.43Å | 1.42Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | N12 | sing | 1.48Å | 1.48Å | |
| C11 | C21 | sing | 1.53Å | 1.53Å | |
| C8 | N1 | sing | 1.42Å | 1.43Å | |
| C2 | N1 | sing | 1.34Å | 1.42Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C25 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N12 | H17 | sing | 1.01Å | 1.00Å | |
| C36 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| N42 | H22 | sing | 0.97Å | 1.00Å | |
| C48 | H23 | sing | 1.08Å | 1.08Å | |
| C50 | H24 | sing | 1.09Å | 1.10Å | |
| C50 | H25 | sing | 1.09Å | 1.10Å | |
| C50 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.08Å | 1.08Å | |
| N51 | H28 | sing | 0.97Å | 1.00Å | |
| N51 | H29 | sing | 0.97Å | 1.00Å | |
| C47 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N51 | C51 | C46 | 118.4° | 120.0° |
| N51 | C51 | O51 | 119.0° | 120.0° |
| C51 | N51 | H28 | 120.0° | 120.0° |
| C51 | N51 | H29 | 120.0° | 120.0° |
| C46 | C51 | O51 | 122.6° | 120.0° |
| C51 | C46 | C47 | 120.5° | 120.1° |
| C51 | C46 | C45 | 119.4° | 120.1° |
| C46 | C47 | C48 | 120.1° | 120.1° |
| C47 | C46 | C45 | 120.0° | 119.9° |
| C46 | C47 | H30 | 120.0° | 120.0° |
| C47 | C48 | C43 | 118.3° | 120.1° |
| C47 | C48 | H23 | 120.9° | 120.0° |
| C48 | C47 | H30 | 120.0° | 120.0° |
| CL2 | C33 | C32 | 119.9° | 120.1° |
| CL2 | C33 | C34 | 120.8° | 120.0° |
| C46 | C45 | C44 | 118.5° | 119.8° |
| C46 | C45 | H27 | 120.7° | 120.1° |
| C48 | C43 | C44 | 121.8° | 120.2° |
| C48 | C43 | N42 | 122.0° | 119.9° |
| C43 | C48 | H23 | 120.8° | 120.0° |
| F1 | C32 | C33 | 117.8° | 120.0° |
| F1 | C32 | C31 | 119.1° | 120.0° |
| CL1 | C5 | S4 | 120.5° | 125.1° |
| CL1 | C5 | C6 | 126.1° | 125.1° |
| O41 | C41 | N42 | 122.0° | 120.0° |
| O41 | C41 | C13 | 125.0° | 120.0° |
| C5 | S4 | C7 | 88.1° | 91.1° |
| S4 | C5 | C6 | 113.4° | 109.7° |
| S4 | C7 | C3 | 132.8° | 142.7° |
| S4 | C7 | C8 | 112.4° | 110.4° |
| C32 | C33 | C34 | 119.2° | 119.9° |
| C33 | C32 | C31 | 123.1° | 120.0° |
| C33 | C34 | C35 | 119.0° | 120.0° |
| C33 | C34 | H21 | 120.5° | 120.0° |
| C32 | C31 | C14 | 120.9° | 120.0° |
| C32 | C31 | C36 | 118.4° | 120.0° |
| C45 | C44 | C43 | 121.2° | 120.0° |
| C45 | C44 | O49 | 121.3° | 120.0° |
| C44 | C45 | H27 | 120.8° | 120.0° |
| C44 | C43 | N42 | 116.2° | 119.9° |
| C43 | C44 | O49 | 117.5° | 120.1° |
| C43 | N42 | C41 | 126.0° | 120.0° |
| C43 | N42 | H22 | 117.0° | 120.0° |
| C5 | C6 | C8 | 107.4° | 115.7° |
| C5 | C6 | H1 | 126.3° | 122.1° |
| C44 | O49 | C50 | 114.1° | 117.0° |
| N42 | C41 | C13 | 113.0° | 120.0° |
| C41 | N42 | H22 | 117.0° | 120.0° |
| C41 | C13 | C14 | 112.2° | 110.8° |
| C41 | C13 | N12 | 108.0° | 110.6° |
| C41 | C13 | H3 | 110.5° | 110.6° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| C34 | C35 | H20 | 119.6° | 120.0° |
| C35 | C34 | H21 | 120.5° | 120.0° |
| C14 | C31 | C36 | 120.7° | 120.0° |
| C31 | C14 | C13 | 110.7° | 110.7° |
| C31 | C14 | C3 | 114.4° | 110.8° |
| C31 | C14 | H4 | 110.0° | 110.8° |
| C31 | C36 | C35 | 119.5° | 120.1° |
| C31 | C36 | H19 | 120.2° | 120.0° |
| C13 | C14 | C3 | 102.4° | 102.7° |
| C14 | C13 | N12 | 106.0° | 103.3° |
| C14 | C13 | H3 | 110.0° | 110.6° |
| C13 | C14 | H4 | 109.6° | 110.8° |
| C14 | C3 | C7 | 117.8° | 111.1° |
| C14 | C3 | C11 | 103.3° | 106.2° |
| C14 | C3 | C2 | 114.0° | 111.5° |
| C3 | C14 | H4 | 109.4° | 110.8° |
| C3 | C7 | C8 | 114.9° | 106.9° |
| C7 | C3 | C11 | 115.6° | 111.5° |
| C7 | C3 | C2 | 98.3° | 104.9° |
| C7 | C8 | C6 | 118.7° | 113.1° |
| C7 | C8 | N1 | 110.2° | 110.2° |
| C13 | N12 | C11 | 107.0° | 105.9° |
| N12 | C13 | H3 | 110.1° | 110.7° |
| C13 | N12 | H17 | 110.1° | 111.0° |
| C6 | C8 | N1 | 131.0° | 136.8° |
| C8 | C6 | H1 | 126.3° | 122.2° |
| C11 | C3 | C2 | 107.9° | 111.8° |
| C3 | C11 | N12 | 102.8° | 106.7° |
| C3 | C11 | C21 | 111.3° | 110.0° |
| C3 | C11 | H2 | 110.5° | 110.0° |
| C3 | C2 | N1 | 109.4° | 106.0° |
| C3 | C2 | O2 | 127.4° | 127.0° |
| O49 | C50 | H24 | 109.5° | 109.5° |
| O49 | C50 | H25 | 109.5° | 109.5° |
| O49 | C50 | H26 | 109.5° | 109.5° |
| C24 | C22 | C21 | 109.3° | 109.5° |
| C24 | C22 | C25 | 109.0° | 109.5° |
| C24 | C22 | C23 | 109.3° | 109.4° |
| C22 | C24 | H10 | 109.5° | 109.4° |
| C22 | C24 | H11 | 109.5° | 109.5° |
| C22 | C24 | H12 | 109.5° | 109.5° |
| C35 | C36 | H19 | 120.3° | 120.0° |
| C36 | C35 | H20 | 119.6° | 120.0° |
| N12 | C11 | C21 | 111.4° | 110.0° |
| N12 | C11 | H2 | 110.7° | 110.0° |
| C11 | N12 | H17 | 110.1° | 111.0° |
| C11 | C21 | C22 | 110.4° | 109.5° |
| C21 | C11 | H2 | 110.0° | 110.0° |
| C11 | C21 | H5 | 109.3° | 109.5° |
| C11 | C21 | H6 | 109.3° | 109.5° |
| C8 | N1 | C2 | 107.0° | 112.0° |
| C8 | N1 | H16 | 126.5° | 124.0° |
| N1 | C2 | O2 | 123.2° | 127.0° |
| C2 | N1 | H16 | 126.5° | 124.0° |
| C21 | C22 | C25 | 110.2° | 109.5° |
| C21 | C22 | C23 | 110.1° | 109.5° |
| C22 | C21 | H5 | 109.3° | 109.5° |
| C22 | C21 | H6 | 109.2° | 109.5° |
| C25 | C22 | C23 | 109.0° | 109.5° |
| C22 | C25 | H13 | 109.5° | 109.5° |
| C22 | C25 | H14 | 109.5° | 109.5° |
| C22 | C25 | H15 | 109.5° | 109.5° |
| C22 | C23 | H7 | 109.5° | 109.5° |
| C22 | C23 | H8 | 109.5° | 109.5° |
| C22 | C23 | H9 | 109.5° | 109.4° |
| H5 | C21 | H6 | 109.5° | 109.4° |
| H7 | C23 | H8 | 109.5° | 109.5° |
| H7 | C23 | H9 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.4° |
| H10 | C24 | H11 | 109.5° | 109.4° |
| H10 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.4° |
| H13 | C25 | H15 | 109.5° | 109.4° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H24 | C50 | H25 | 109.5° | 109.5° |
| H24 | C50 | H26 | 109.5° | 109.4° |
| H25 | C50 | H26 | 109.4° | 109.5° |
| H28 | N51 | H29 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N51 | C51 | C46 | O51 | 179.4° | 180.0° |
| N51 | C51 | C46 | C47 | 24.7° | 0.4° |
| N51 | C51 | C46 | C45 | 158.6° | 180.0° |
| C51 | N51 | H28 | H29 | 180.0° | 180.0° |
| C51 | C46 | C47 | C45 | 176.7° | 179.6° |
| C51 | C46 | C47 | C48 | 173.6° | 179.7° |
| C51 | C46 | C45 | C44 | 173.0° | 180.0° |
| C51 | C46 | C45 | H27 | 7.0° | 0.1° |
| C46 | C51 | N51 | H28 | 179.5° | 0.0° |
| C46 | C51 | N51 | H29 | 0.5° | 180.0° |
| C51 | C46 | C47 | H30 | 6.4° | 0.4° |
| O51 | C51 | C46 | C47 | 154.7° | 179.6° |
| O51 | C51 | C46 | C45 | 22.0° | 0.0° |
| O51 | C51 | N51 | H28 | 0.0° | 180.0° |
| O51 | C51 | N51 | H29 | 180.0° | 0.0° |
| C46 | C47 | C48 | H30 | 180.0° | 179.3° |
| C46 | C47 | C48 | C43 | 0.4° | 0.4° |
| C47 | C46 | C45 | C44 | 3.8° | 0.4° |
| C46 | C47 | C48 | H23 | 179.6° | 179.6° |
| C47 | C46 | C45 | H27 | 176.2° | 179.5° |
| C48 | C47 | C46 | C45 | 3.2° | 0.6° |
| C47 | C48 | C43 | H23 | 180.0° | 180.0° |
| C47 | C48 | C43 | C44 | 1.7° | 0.0° |
| C47 | C48 | C43 | N42 | 178.5° | 179.8° |
| CL2 | C33 | C32 | F1 | 0.4° | 0.4° |
| CL2 | C33 | C32 | C34 | 179.6° | 179.4° |
| CL2 | C33 | C32 | C31 | 178.8° | 180.0° |
| CL2 | C33 | C34 | C35 | 178.9° | 179.7° |
| CL2 | C33 | C34 | H21 | 1.1° | 0.3° |
| C46 | C45 | C44 | H27 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 1.7° | 0.0° |
| C46 | C45 | C44 | O49 | 176.9° | 180.0° |
| C45 | C46 | C47 | H30 | 176.9° | 180.0° |
| C48 | C43 | C44 | C45 | 1.0° | 0.2° |
| C48 | C43 | C44 | N42 | 179.8° | 179.7° |
| C48 | C43 | C44 | O49 | 179.7° | 179.8° |
| C48 | C43 | N42 | C41 | 17.2° | 26.5° |
| C48 | C43 | N42 | H22 | 162.8° | 153.6° |
| C43 | C48 | C47 | H30 | 179.6° | 179.7° |
| F1 | C32 | C33 | C31 | 179.1° | 179.6° |
| F1 | C32 | C33 | C34 | 179.9° | 179.7° |
| F1 | C32 | C31 | C14 | 2.0° | 0.1° |
| F1 | C32 | C31 | C36 | 179.6° | 179.7° |
| CL1 | C5 | S4 | C6 | 179.3° | 180.0° |
| CL1 | C5 | S4 | C7 | 178.1° | 180.0° |
| CL1 | C5 | C6 | C8 | 177.8° | 180.0° |
| CL1 | C5 | C6 | H1 | 2.3° | 0.0° |
| O41 | C41 | N42 | C43 | 2.2° | 0.3° |
| O41 | C41 | N42 | C13 | 179.5° | 179.9° |
| O41 | C41 | C13 | C14 | 56.5° | 126.6° |
| O41 | C41 | C13 | N12 | 172.9° | 12.7° |
| O41 | C41 | C13 | H3 | 66.6° | 110.3° |
| O41 | C41 | N42 | H22 | 177.8° | 179.7° |
| C5 | S4 | C7 | C3 | 179.1° | 179.9° |
| C5 | S4 | C7 | C8 | 0.6° | 0.0° |
| S4 | C5 | C6 | C8 | 1.5° | 0.0° |
| S4 | C5 | C6 | H1 | 178.5° | 180.0° |
| C7 | S4 | C5 | C6 | 1.2° | 0.0° |
| S4 | C7 | C3 | C14 | 53.5° | 59.5° |
| S4 | C7 | C3 | C8 | 179.7° | 179.9° |
| S4 | C7 | C8 | C6 | 0.2° | 0.0° |
| S4 | C7 | C3 | C11 | 69.2° | 58.7° |
| S4 | C7 | C3 | C2 | 176.4° | 179.9° |
| S4 | C7 | C8 | N1 | 179.1° | 180.0° |
| C32 | C33 | C34 | C35 | 0.6° | 0.3° |
| C33 | C32 | C31 | C14 | 177.2° | 179.7° |
| C33 | C32 | C31 | C36 | 0.5° | 0.7° |
| C32 | C33 | C34 | H21 | 179.4° | 179.7° |
| C34 | C33 | C32 | C31 | 0.8° | 0.7° |
| C33 | C34 | C35 | H21 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | H20 | 179.8° | 180.0° |
| C32 | C31 | C14 | C36 | 177.6° | 179.6° |
| C32 | C31 | C14 | C13 | 148.1° | 1.3° |
| C32 | C31 | C14 | C3 | 96.7° | 114.6° |
| C32 | C31 | C36 | C35 | 0.1° | 0.3° |
| C32 | C31 | C14 | H4 | 26.9° | 122.0° |
| C32 | C31 | C36 | H19 | 179.9° | 179.7° |
| C45 | C44 | C43 | O49 | 178.7° | 180.0° |
| C45 | C44 | C43 | N42 | 179.1° | 180.0° |
| C45 | C44 | O49 | C50 | 2.7° | 0.0° |
| C44 | C43 | N42 | C41 | 162.9° | 153.3° |
| C43 | C44 | O49 | C50 | 176.0° | 180.0° |
| C44 | C43 | N42 | H22 | 17.0° | 26.7° |
| C44 | C43 | C48 | H23 | 178.3° | 180.0° |
| C43 | C44 | C45 | H27 | 178.3° | 180.0° |
| N42 | C43 | C44 | O49 | 0.4° | 0.0° |
| C43 | N42 | C41 | H22 | 180.0° | 180.0° |
| C43 | N42 | C41 | C13 | 177.3° | 179.8° |
| N42 | C43 | C48 | H23 | 1.5° | 0.2° |
| C5 | C6 | C8 | C7 | 1.1° | 0.0° |
| C5 | C6 | C8 | H1 | 180.0° | 180.0° |
| C5 | C6 | C8 | N1 | 178.0° | 180.0° |
| C44 | O49 | C50 | H24 | 180.0° | 60.0° |
| C44 | O49 | C50 | H25 | 60.0° | 60.0° |
| C44 | O49 | C50 | H26 | 60.0° | 180.0° |
| O49 | C44 | C45 | H27 | 3.1° | 0.0° |
| N42 | C41 | C13 | C14 | 124.1° | 53.5° |
| N42 | C41 | C13 | N12 | 7.7° | 167.4° |
| N42 | C41 | C13 | H3 | 112.8° | 69.5° |
| C41 | C13 | C14 | C31 | 99.6° | 86.6° |
| C41 | C13 | C14 | N12 | 117.7° | 118.5° |
| C41 | C13 | C14 | H3 | 123.4° | 123.0° |
| C41 | C13 | C14 | C3 | 138.0° | 155.1° |
| C41 | C13 | N12 | H3 | 120.7° | 123.0° |
| C41 | C13 | N12 | C11 | 114.9° | 157.2° |
| C41 | C13 | C14 | H4 | 21.8° | 36.8° |
| C41 | C13 | N12 | H17 | 4.7° | 36.7° |
| C13 | C41 | N42 | H22 | 2.7° | 0.2° |
| C34 | C35 | C36 | C31 | 0.0° | 0.0° |
| C34 | C35 | C36 | H20 | 180.0° | 180.0° |
| C34 | C35 | C36 | H19 | 180.0° | 180.0° |
| C31 | C14 | C13 | C3 | 122.4° | 118.3° |
| C31 | C14 | C13 | H4 | 121.5° | 123.3° |
| C31 | C14 | C3 | H4 | 123.9° | 123.4° |
| C31 | C14 | C3 | C7 | 72.4° | 98.9° |
| C31 | C14 | C13 | N12 | 142.7° | 155.0° |
| C31 | C14 | C3 | C11 | 158.8° | 139.7° |
| C31 | C14 | C3 | C2 | 42.0° | 17.8° |
| C14 | C31 | C36 | C35 | 177.6° | 180.0° |
| C31 | C14 | C13 | H3 | 23.8° | 36.5° |
| C14 | C31 | C36 | H19 | 2.4° | 0.0° |
| C36 | C31 | C14 | C13 | 29.5° | 178.3° |
| C36 | C31 | C14 | C3 | 85.6° | 65.0° |
| C31 | C36 | C35 | H19 | 180.0° | 180.0° |
| C36 | C31 | C14 | H4 | 150.7° | 58.4° |
| C31 | C36 | C35 | H20 | 180.0° | 180.0° |
| C13 | C14 | C3 | H4 | 116.3° | 118.3° |
| C13 | C14 | C3 | C7 | 167.7° | 142.8° |
| C14 | C13 | N12 | H3 | 118.8° | 118.5° |
| C13 | C14 | C3 | C11 | 39.0° | 21.4° |
| C13 | C14 | C3 | C2 | 77.8° | 100.5° |
| C14 | C13 | N12 | C11 | 5.5° | 38.7° |
| C14 | C13 | N12 | H17 | 125.1° | 81.9° |
| C14 | C3 | C7 | C11 | 122.7° | 118.2° |
| C14 | C3 | C7 | C2 | 122.8° | 120.6° |
| C14 | C3 | C7 | C8 | 126.1° | 120.6° |
| C3 | C14 | C13 | N12 | 20.3° | 36.6° |
| C14 | C3 | C11 | C2 | 121.1° | 121.7° |
| C14 | C3 | C11 | N12 | 42.7° | 1.4° |
| C14 | C3 | C11 | C21 | 162.0° | 117.9° |
| C14 | C3 | C2 | N1 | 130.2° | 120.3° |
| C14 | C3 | C2 | O2 | 49.9° | 59.8° |
| C14 | C3 | C11 | H2 | 75.4° | 120.7° |
| C3 | C14 | C13 | H3 | 98.7° | 81.9° |
| C3 | C7 | C8 | C6 | 179.9° | 180.0° |
| C7 | C3 | C11 | C2 | 108.9° | 117.1° |
| C7 | C3 | C11 | N12 | 172.8° | 119.7° |
| C7 | C3 | C11 | C21 | 67.9° | 121.0° |
| C3 | C7 | C8 | N1 | 0.6° | 0.1° |
| C7 | C3 | C2 | N1 | 4.7° | 0.0° |
| C7 | C3 | C2 | O2 | 175.4° | 179.8° |
| C7 | C3 | C11 | H2 | 54.7° | 0.4° |
| C7 | C3 | C14 | H4 | 51.5° | 24.5° |
| C7 | C8 | C6 | N1 | 179.1° | 180.0° |
| C8 | C7 | C3 | C11 | 111.2° | 121.2° |
| C8 | C7 | C3 | C2 | 3.3° | 0.0° |
| C7 | C8 | N1 | C2 | 2.6° | 0.1° |
| C7 | C8 | C6 | H1 | 178.9° | 180.0° |
| C7 | C8 | N1 | H16 | 177.3° | 179.8° |
| C13 | N12 | C11 | C3 | 29.9° | 25.2° |
| C13 | N12 | C11 | H17 | 119.6° | 120.6° |
| C13 | N12 | C11 | C21 | 149.2° | 94.1° |
| C13 | N12 | C11 | H2 | 88.1° | 144.5° |
| N12 | C13 | C14 | H4 | 95.9° | 81.7° |
| C6 | C8 | N1 | C2 | 176.5° | 179.9° |
| C6 | C8 | N1 | H16 | 3.5° | 0.2° |
| C3 | C11 | N12 | C21 | 119.3° | 119.3° |
| C3 | C11 | N12 | H2 | 118.0° | 119.3° |
| C3 | C11 | C21 | H2 | 122.8° | 121.4° |
| C11 | C3 | C2 | N1 | 115.7° | 121.0° |
| C11 | C3 | C2 | O2 | 64.2° | 58.8° |
| C3 | C11 | C21 | C22 | 155.7° | 175.0° |
| C11 | C3 | C14 | H4 | 77.3° | 96.9° |
| C3 | C11 | C21 | H5 | 84.2° | 65.0° |
| C3 | C11 | C21 | H6 | 35.6° | 55.0° |
| C3 | C11 | N12 | H17 | 149.5° | 95.4° |
| C2 | C3 | C11 | N12 | 78.4° | 123.2° |
| C2 | C3 | C11 | C21 | 41.0° | 3.9° |
| C3 | C2 | N1 | C8 | 4.7° | 0.1° |
| C3 | C2 | N1 | O2 | 179.9° | 179.8° |
| C2 | C3 | C11 | H2 | 163.5° | 117.6° |
| C2 | C3 | C14 | H4 | 165.9° | 141.2° |
| C3 | C2 | N1 | H16 | 175.2° | 179.8° |
| O49 | C50 | H24 | H25 | 120.0° | 120.0° |
| O49 | C50 | H24 | H26 | 120.0° | 120.0° |
| O49 | C50 | H25 | H26 | 120.0° | 120.0° |
| C24 | C22 | C21 | C11 | 56.1° | 60.0° |
| C24 | C22 | C21 | C25 | 119.7° | 120.0° |
| C24 | C22 | C21 | C23 | 120.0° | 120.0° |
| C24 | C22 | C25 | C23 | 119.2° | 120.0° |
| C24 | C22 | C21 | H5 | 176.3° | 179.9° |
| C24 | C22 | C21 | H6 | 64.0° | 60.0° |
| C24 | C22 | C23 | H7 | 180.0° | 60.0° |
| C24 | C22 | C23 | H8 | 60.0° | 60.0° |
| C24 | C22 | C23 | H9 | 60.0° | 180.0° |
| C22 | C24 | H10 | H11 | 120.0° | 120.0° |
| C22 | C24 | H10 | H12 | 120.0° | 120.0° |
| C22 | C24 | H11 | H12 | 120.0° | 120.0° |
| C24 | C22 | C25 | H13 | 180.0° | 180.0° |
| C24 | C22 | C25 | H14 | 60.0° | 60.1° |
| C24 | C22 | C25 | H15 | 60.0° | 60.0° |
| C36 | C35 | C34 | H21 | 179.8° | 180.0° |
| N12 | C11 | C21 | H2 | 123.0° | 121.4° |
| N12 | C11 | C21 | C22 | 90.2° | 67.7° |
| C11 | N12 | C13 | H3 | 124.4° | 79.8° |
| N12 | C11 | C21 | H5 | 30.0° | 52.3° |
| N12 | C11 | C21 | H6 | 149.7° | 172.2° |
| C11 | C21 | C22 | H5 | 120.1° | 120.0° |
| C11 | C21 | C22 | H6 | 120.1° | 120.0° |
| C11 | C21 | C22 | C25 | 63.6° | 60.0° |
| C11 | C21 | C22 | C23 | 176.2° | 180.0° |
| C11 | C21 | H5 | H6 | 119.6° | 120.0° |
| C21 | C11 | N12 | H17 | 91.2° | 145.3° |
| C8 | N1 | C2 | H16 | 180.0° | 179.7° |
| C8 | N1 | C2 | O2 | 175.4° | 179.8° |
| N1 | C8 | C6 | H1 | 2.0° | 0.0° |
| O2 | C2 | N1 | H16 | 4.7° | 0.1° |
| C21 | C22 | C25 | C23 | 120.9° | 120.0° |
| C22 | C21 | C11 | H2 | 32.8° | 53.6° |
| C22 | C21 | H5 | H6 | 119.6° | 120.0° |
| C21 | C22 | C23 | H7 | 60.0° | 60.0° |
| C21 | C22 | C23 | H8 | 60.0° | 180.0° |
| C21 | C22 | C23 | H9 | 180.0° | 60.1° |
| C21 | C22 | C24 | H10 | 180.0° | 60.0° |
| C21 | C22 | C24 | H11 | 60.0° | 180.0° |
| C21 | C22 | C24 | H12 | 60.0° | 60.0° |
| C21 | C22 | C25 | H13 | 60.1° | 60.0° |
| C21 | C22 | C25 | H14 | 179.9° | 180.0° |
| C21 | C22 | C25 | H15 | 59.9° | 60.0° |
| C25 | C22 | C21 | H5 | 56.6° | 60.1° |
| C25 | C22 | C21 | H6 | 176.3° | 180.0° |
| C25 | C22 | C23 | H7 | 61.0° | 180.0° |
| C25 | C22 | C23 | H8 | 179.0° | 60.0° |
| C25 | C22 | C23 | H9 | 59.0° | 60.0° |
| C25 | C22 | C24 | H10 | 59.6° | 60.0° |
| C25 | C22 | C24 | H11 | 179.6° | 60.0° |
| C25 | C22 | C24 | H12 | 60.5° | 180.0° |
| C22 | C25 | H13 | H14 | 120.0° | 120.0° |
| C22 | C25 | H13 | H15 | 120.0° | 120.1° |
| C22 | C25 | H14 | H15 | 120.0° | 120.1° |
| C23 | C22 | C21 | H5 | 63.7° | 60.0° |
| C23 | C22 | C21 | H6 | 56.0° | 60.0° |
| C22 | C23 | H7 | H8 | 120.0° | 120.0° |
| C22 | C23 | H7 | H9 | 120.0° | 120.0° |
| C22 | C23 | H8 | H9 | 120.0° | 119.9° |
| C23 | C22 | C24 | H10 | 59.5° | 180.0° |
| C23 | C22 | C24 | H11 | 60.5° | 60.0° |
| C23 | C22 | C24 | H12 | 179.5° | 60.0° |
| C23 | C22 | C25 | H13 | 60.8° | 60.0° |
| C23 | C22 | C25 | H14 | 59.2° | 59.9° |
| C23 | C22 | C25 | H15 | 179.2° | 180.0° |
| H2 | C11 | C21 | H5 | 153.0° | 173.6° |
| H2 | C11 | C21 | H6 | 87.3° | 66.4° |
| H2 | C11 | N12 | H17 | 31.5° | 23.9° |
| H3 | C13 | C14 | H4 | 145.2° | 159.8° |
| H3 | C13 | N12 | H17 | 116.0° | 159.7° |
| H7 | C23 | H8 | H9 | 120.0° | 120.0° |
| H10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H13 | C25 | H14 | H15 | 120.0° | 119.9° |
| H19 | C36 | C35 | H20 | 0.0° | 0.0° |
| H20 | C35 | C34 | H21 | 0.3° | 0.0° |
| H23 | C48 | C47 | H30 | 0.4° | 0.2° |
| H24 | C50 | H25 | H26 | 120.0° | 120.0° |
