W3T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | C45 | sing | 1.36Å | 1.38Å | |
| C45 | C47 | doub | 1.39Å | 1.41Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | doub | 1.40Å | 1.43Å | Aromatic |
| N48 | C49 | doub | 1.31Å | 1.35Å | Aromatic |
| N48 | C33 | sing | 1.33Å | 1.35Å | Aromatic |
| C34 | C33 | sing | 1.48Å | 1.51Å | |
| C34 | C35 | doub | 1.41Å | 1.45Å | Aromatic |
| C49 | C29 | sing | 1.40Å | 1.46Å | Aromatic |
| C33 | C31 | doub | 1.39Å | 1.43Å | Aromatic |
| C43 | C35 | sing | 1.42Å | 1.37Å | Aromatic |
| C43 | C42 | sing | 1.41Å | 1.45Å | Aromatic |
| N10 | C09 | sing | 1.38Å | 1.49Å | |
| N10 | C11 | sing | 1.47Å | 1.61Å | |
| N10 | C28 | sing | 1.47Å | 1.57Å | |
| C29 | C09 | doub | 1.42Å | 1.46Å | Aromatic |
| C29 | C30 | sing | 1.42Å | 1.36Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | F32 | sing | 1.35Å | 1.38Å | |
| C35 | C36 | sing | 1.41Å | 1.43Å | Aromatic |
| C09 | N08 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C30 | N50 | doub | 1.34Å | 1.39Å | Aromatic |
| C28 | C25 | sing | 1.54Å | 1.50Å | |
| C52 | N51 | sing | 1.48Å | 1.64Å | |
| C52 | C53 | sing | 1.55Å | 1.42Å | |
| C42 | C41 | doub | 1.36Å | 1.38Å | Aromatic |
| N08 | C07 | doub | 1.33Å | 1.34Å | Aromatic |
| N50 | C07 | sing | 1.32Å | 1.33Å | Aromatic |
| N51 | C55 | sing | 1.48Å | 1.61Å | |
| N51 | C04 | sing | 1.48Å | 1.48Å | |
| C07 | O06 | sing | 1.35Å | 1.44Å | |
| C53 | C54 | sing | 1.55Å | 1.64Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| O24 | C14 | doub | 1.21Å | 1.19Å | |
| C14 | N13 | sing | 1.35Å | 1.49Å | |
| N13 | C12 | sing | 1.48Å | 1.27Å | |
| N13 | C25 | sing | 1.49Å | 1.34Å | |
| C55 | C02 | sing | 1.55Å | 1.30Å | |
| C12 | C27 | sing | 1.55Å | 1.68Å | |
| C36 | C37 | sing | 1.43Å | 1.51Å | |
| C36 | C39 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.55Å | 1.46Å | |
| O06 | C05 | sing | 1.43Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.57Å | |
| C41 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | trip | 1.17Å | 1.18Å | |
| C04 | C54 | sing | 1.54Å | 1.57Å | |
| C04 | C03 | sing | 1.54Å | 1.40Å | |
| C39 | F40 | sing | 1.35Å | 1.37Å | |
| C26 | C27 | sing | 1.54Å | 1.47Å | |
| C02 | F01 | sing | 1.40Å | 1.43Å | |
| C02 | C03 | sing | 1.55Å | 1.59Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C41 | H5 | sing | 1.08Å | 1.08Å | |
| C49 | H6 | sing | 1.08Å | 1.08Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.05Å | 1.06Å | |
| C42 | H22 | sing | 1.08Å | 1.08Å | |
| C44 | H23 | sing | 1.08Å | 1.08Å | |
| C47 | H24 | sing | 1.08Å | 1.08Å | |
| C52 | H25 | sing | 1.09Å | 1.10Å | |
| C52 | H26 | sing | 1.09Å | 1.10Å | |
| C53 | H27 | sing | 1.09Å | 1.10Å | |
| C53 | H28 | sing | 1.09Å | 1.10Å | |
| C54 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C55 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.09Å | 1.10Å | |
| O46 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | C45 | C47 | 120.0° | 119.6° |
| O46 | C45 | C44 | 119.6° | 119.6° |
| C45 | O46 | H34 | 109.5° | 114.0° |
| C47 | C45 | C44 | 120.3° | 120.8° |
| C45 | C47 | C34 | 121.0° | 120.6° |
| C45 | C47 | H24 | 119.5° | 119.7° |
| C45 | C44 | C43 | 118.4° | 119.9° |
| C45 | C44 | H23 | 120.8° | 120.0° |
| C47 | C34 | C33 | 112.5° | 120.2° |
| C47 | C34 | C35 | 119.6° | 119.6° |
| C34 | C47 | H24 | 119.5° | 119.7° |
| C44 | C43 | C35 | 122.1° | 119.5° |
| C44 | C43 | C42 | 116.8° | 120.9° |
| C43 | C44 | H23 | 120.8° | 120.0° |
| C49 | N48 | C33 | 118.1° | 122.6° |
| N48 | C49 | C29 | 123.2° | 120.2° |
| N48 | C49 | H6 | 118.4° | 119.9° |
| N48 | C33 | C34 | 126.0° | 119.3° |
| N48 | C33 | C31 | 120.9° | 121.4° |
| C33 | C34 | C35 | 127.4° | 120.2° |
| C34 | C33 | C31 | 112.6° | 119.3° |
| C34 | C35 | C43 | 118.5° | 119.5° |
| C34 | C35 | C36 | 122.4° | 121.1° |
| C49 | C29 | C09 | 123.9° | 122.6° |
| C49 | C29 | C30 | 118.7° | 119.2° |
| C29 | C49 | H6 | 118.4° | 119.9° |
| C33 | C31 | C30 | 120.8° | 118.4° |
| C33 | C31 | F32 | 122.2° | 120.8° |
| C35 | C43 | C42 | 121.1° | 119.5° |
| C43 | C35 | C36 | 119.0° | 119.4° |
| C43 | C42 | C41 | 119.6° | 120.2° |
| C43 | C42 | H22 | 120.2° | 119.9° |
| C09 | N10 | C11 | 118.0° | 111.0° |
| C09 | N10 | C28 | 115.3° | 111.0° |
| N10 | C09 | C29 | 123.7° | 120.9° |
| N10 | C09 | N08 | 116.9° | 120.9° |
| C11 | N10 | C28 | 112.3° | 111.6° |
| N10 | C11 | C12 | 110.5° | 109.0° |
| N10 | C11 | H12 | 109.2° | 109.6° |
| N10 | C11 | H13 | 109.2° | 109.7° |
| N10 | C28 | C25 | 110.5° | 109.0° |
| N10 | C28 | H3 | 109.2° | 109.5° |
| N10 | C28 | H4 | 109.2° | 109.7° |
| C09 | C29 | C30 | 117.4° | 118.2° |
| C29 | C09 | N08 | 119.3° | 118.2° |
| C29 | C30 | C31 | 118.3° | 118.2° |
| C29 | C30 | N50 | 120.4° | 119.0° |
| C30 | C31 | F32 | 116.9° | 120.8° |
| C31 | C30 | N50 | 121.3° | 122.7° |
| C35 | C36 | C37 | 125.5° | 120.3° |
| C35 | C36 | C39 | 119.1° | 119.3° |
| C09 | N08 | C07 | 120.6° | 121.6° |
| C11 | C12 | N13 | 112.5° | 106.9° |
| C11 | C12 | C27 | 106.0° | 107.6° |
| C12 | C11 | H12 | 109.2° | 109.5° |
| C12 | C11 | H13 | 109.2° | 109.5° |
| C11 | C12 | H14 | 111.3° | 112.3° |
| C30 | N50 | C07 | 119.8° | 120.2° |
| C28 | C25 | N13 | 109.9° | 106.9° |
| C28 | C25 | C26 | 109.9° | 107.6° |
| C25 | C28 | H3 | 109.2° | 109.5° |
| C25 | C28 | H4 | 109.2° | 109.6° |
| C28 | C25 | H18 | 111.3° | 112.3° |
| N51 | C52 | C53 | 110.0° | 104.8° |
| C52 | N51 | C55 | 135.2° | 110.0° |
| C52 | N51 | C04 | 105.8° | 108.5° |
| N51 | C52 | H25 | 109.4° | 110.4° |
| N51 | C52 | H26 | 109.3° | 110.4° |
| C52 | C53 | C54 | 106.3° | 101.7° |
| C53 | C52 | H25 | 109.3° | 110.4° |
| C53 | C52 | H26 | 109.4° | 110.4° |
| C52 | C53 | H27 | 110.3° | 111.0° |
| C52 | C53 | H28 | 110.3° | 110.9° |
| C42 | C41 | C39 | 119.2° | 121.1° |
| C42 | C41 | H5 | 120.4° | 119.4° |
| C41 | C42 | H22 | 120.2° | 119.9° |
| N08 | C07 | N50 | 122.4° | 122.8° |
| N08 | C07 | O06 | 118.3° | 118.6° |
| N50 | C07 | O06 | 119.2° | 118.6° |
| C55 | N51 | C04 | 104.6° | 108.4° |
| N51 | C55 | C02 | 101.8° | 104.8° |
| N51 | C55 | H31 | 111.4° | 110.4° |
| N51 | C55 | H32 | 111.4° | 110.5° |
| N51 | C04 | C05 | 111.0° | 111.7° |
| N51 | C04 | C54 | 107.4° | 107.2° |
| N51 | C04 | C03 | 106.1° | 107.1° |
| C07 | O06 | C05 | 115.2° | 117.0° |
| C53 | C54 | C04 | 103.9° | 103.1° |
| C54 | C53 | H27 | 110.2° | 111.1° |
| C54 | C53 | H28 | 110.3° | 111.0° |
| C53 | C54 | H29 | 110.9° | 110.7° |
| C53 | C54 | H30 | 110.9° | 110.6° |
| C15 | C14 | O24 | 121.1° | 120.0° |
| C15 | C14 | N13 | 118.9° | 120.0° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.4° |
| O24 | C14 | N13 | 120.0° | 120.0° |
| C14 | N13 | C12 | 125.0° | 128.5° |
| C14 | N13 | C25 | 120.0° | 128.4° |
| C12 | N13 | C25 | 115.0° | 103.1° |
| N13 | C12 | C27 | 101.1° | 104.0° |
| N13 | C12 | H14 | 115.7° | 112.4° |
| N13 | C25 | C26 | 99.3° | 104.0° |
| N13 | C25 | H18 | 114.0° | 112.4° |
| C55 | C02 | F01 | 110.4° | 111.0° |
| C55 | C02 | C03 | 104.9° | 101.6° |
| C55 | C02 | H7 | 113.7° | 111.0° |
| C02 | C55 | H31 | 111.3° | 110.4° |
| C02 | C55 | H32 | 111.4° | 110.4° |
| C12 | C27 | C26 | 95.0° | 104.7° |
| C27 | C12 | H14 | 109.2° | 113.0° |
| C12 | C27 | H19 | 113.0° | 110.4° |
| C12 | C27 | H20 | 113.0° | 110.4° |
| C37 | C36 | C39 | 115.4° | 120.4° |
| C36 | C37 | C38 | 178.5° | 180.0° |
| C36 | C39 | C41 | 121.9° | 120.5° |
| C36 | C39 | F40 | 116.9° | 119.7° |
| C25 | C26 | C27 | 112.9° | 104.6° |
| C25 | C26 | H1 | 108.6° | 110.4° |
| C25 | C26 | H2 | 108.6° | 110.5° |
| C26 | C25 | H18 | 111.9° | 113.0° |
| O06 | C05 | C04 | 101.8° | 109.5° |
| O06 | C05 | H10 | 111.4° | 109.5° |
| O06 | C05 | H11 | 111.4° | 109.5° |
| C05 | C04 | C54 | 110.5° | 110.9° |
| C05 | C04 | C03 | 109.8° | 110.9° |
| C04 | C05 | H10 | 111.3° | 109.5° |
| C04 | C05 | H11 | 111.4° | 109.5° |
| C41 | C39 | F40 | 121.2° | 119.7° |
| C39 | C41 | H5 | 120.4° | 119.4° |
| C37 | C38 | H21 | 180.0° | 180.0° |
| C54 | C04 | C03 | 111.9° | 108.8° |
| C04 | C54 | H29 | 110.9° | 110.7° |
| C04 | C54 | H30 | 110.9° | 110.7° |
| C04 | C03 | C02 | 105.5° | 103.1° |
| C04 | C03 | H8 | 110.5° | 110.7° |
| C04 | C03 | H9 | 110.5° | 110.9° |
| C27 | C26 | H1 | 108.6° | 110.4° |
| C27 | C26 | H2 | 108.6° | 110.4° |
| C26 | C27 | H19 | 113.0° | 110.4° |
| C26 | C27 | H20 | 113.0° | 110.4° |
| F01 | C02 | C03 | 106.8° | 111.0° |
| F01 | C02 | H7 | 111.4° | 110.9° |
| C03 | C02 | H7 | 109.2° | 111.0° |
| C02 | C03 | H8 | 110.4° | 110.7° |
| C02 | C03 | H9 | 110.4° | 110.7° |
| H1 | C26 | H2 | 109.5° | 110.4° |
| H3 | C28 | H4 | 109.4° | 109.5° |
| H8 | C03 | H9 | 109.5° | 110.6° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.6° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H15 | C15 | H17 | 109.4° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.4° | 110.5° |
| H25 | C52 | H26 | 109.4° | 110.4° |
| H27 | C53 | H28 | 109.5° | 110.9° |
| H29 | C54 | H30 | 109.5° | 110.8° |
| H31 | C55 | H32 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | C45 | C47 | C44 | 179.2° | 179.9° |
| O46 | C45 | C47 | C34 | 177.8° | 180.0° |
| O46 | C45 | C44 | C43 | 179.7° | 179.8° |
| O46 | C45 | C44 | H23 | 0.2° | 0.2° |
| O46 | C45 | C47 | H24 | 2.2° | 0.1° |
| C45 | C47 | C34 | H24 | 180.0° | 179.9° |
| C47 | C45 | C44 | C43 | 0.5° | 0.1° |
| C45 | C47 | C34 | C33 | 175.6° | 180.0° |
| C45 | C47 | C34 | C35 | 3.3° | 0.3° |
| C47 | C45 | C44 | H23 | 179.4° | 179.9° |
| C47 | C45 | O46 | H34 | 180.0° | 89.9° |
| C44 | C45 | C47 | C34 | 1.4° | 0.1° |
| C45 | C44 | C43 | H23 | 180.0° | 180.0° |
| C45 | C44 | C43 | C35 | 0.6° | 0.1° |
| C45 | C44 | C43 | C42 | 179.6° | 179.8° |
| C44 | C45 | C47 | H24 | 178.6° | 180.0° |
| C44 | C45 | O46 | H34 | 0.8° | 90.2° |
| C47 | C34 | C33 | N48 | 70.5° | 99.5° |
| C47 | C34 | C33 | C35 | 171.6° | 179.7° |
| C47 | C34 | C33 | C31 | 101.8° | 80.2° |
| C47 | C34 | C35 | C43 | 3.2° | 0.3° |
| C47 | C34 | C35 | C36 | 178.7° | 179.8° |
| C44 | C43 | C35 | C34 | 1.2° | 0.1° |
| C44 | C43 | C35 | C42 | 179.8° | 179.9° |
| C44 | C43 | C35 | C36 | 179.4° | 180.0° |
| C44 | C43 | C42 | C41 | 179.8° | 180.0° |
| C44 | C43 | C42 | H22 | 0.2° | 0.2° |
| C49 | N48 | C33 | C34 | 175.4° | 180.0° |
| N48 | C49 | C29 | H6 | 180.0° | 180.0° |
| C49 | N48 | C33 | C31 | 3.7° | 0.3° |
| N48 | C49 | C29 | C09 | 179.6° | 180.0° |
| N48 | C49 | C29 | C30 | 0.7° | 0.2° |
| N48 | C33 | C34 | C31 | 172.2° | 179.7° |
| N48 | C33 | C34 | C35 | 117.9° | 80.2° |
| C33 | N48 | C49 | C29 | 1.6° | 0.0° |
| N48 | C33 | C31 | C30 | 3.6° | 0.3° |
| N48 | C33 | C31 | F32 | 178.4° | 179.8° |
| C33 | N48 | C49 | H6 | 178.3° | 180.0° |
| C33 | C34 | C35 | C43 | 174.2° | 180.0° |
| C34 | C33 | C31 | C30 | 176.3° | 180.0° |
| C34 | C33 | C31 | F32 | 5.7° | 0.0° |
| C33 | C34 | C35 | C36 | 7.6° | 0.1° |
| C33 | C34 | C47 | H24 | 4.4° | 0.1° |
| C35 | C34 | C33 | C31 | 69.8° | 100.1° |
| C34 | C35 | C43 | C36 | 178.2° | 179.9° |
| C34 | C35 | C43 | C42 | 178.5° | 180.0° |
| C34 | C35 | C36 | C37 | 1.0° | 0.2° |
| C34 | C35 | C36 | C39 | 178.1° | 179.8° |
| C35 | C34 | C47 | H24 | 176.7° | 179.8° |
| C49 | C29 | C09 | N10 | 3.0° | 0.2° |
| C49 | C29 | C09 | C30 | 178.9° | 179.8° |
| C49 | C29 | C30 | C31 | 0.8° | 0.2° |
| C49 | C29 | C09 | N08 | 179.2° | 179.8° |
| C49 | C29 | C30 | N50 | 179.5° | 179.8° |
| C33 | C31 | C30 | C29 | 1.2° | 0.0° |
| C33 | C31 | C30 | F32 | 178.1° | 179.9° |
| C33 | C31 | C30 | N50 | 178.4° | 180.0° |
| C35 | C43 | C42 | C41 | 0.0° | 0.1° |
| C43 | C35 | C36 | C37 | 179.1° | 179.9° |
| C43 | C35 | C36 | C39 | 0.0° | 0.1° |
| C35 | C43 | C42 | H22 | 180.0° | 179.9° |
| C35 | C43 | C44 | H23 | 179.4° | 179.9° |
| C42 | C43 | C35 | C36 | 0.4° | 0.1° |
| C43 | C42 | C41 | H22 | 180.0° | 179.8° |
| C43 | C42 | C41 | C39 | 0.7° | 0.1° |
| C43 | C42 | C41 | H5 | 179.3° | 179.9° |
| C42 | C43 | C44 | H23 | 0.4° | 0.2° |
| C09 | N10 | C11 | C28 | 137.8° | 124.4° |
| N10 | C09 | C29 | N08 | 177.8° | 179.9° |
| N10 | C09 | C29 | C30 | 178.1° | 180.0° |
| C09 | N10 | C11 | C12 | 107.0° | 69.2° |
| C09 | N10 | C28 | C25 | 104.0° | 69.2° |
| N10 | C09 | N08 | C07 | 178.8° | 180.0° |
| C09 | N10 | C28 | H3 | 16.2° | 171.0° |
| C09 | N10 | C28 | H4 | 135.8° | 50.8° |
| C09 | N10 | C11 | H12 | 132.8° | 50.7° |
| C09 | N10 | C11 | H13 | 13.2° | 171.0° |
| C11 | N10 | C09 | C29 | 178.7° | 117.7° |
| C11 | N10 | C09 | N08 | 3.5° | 62.4° |
| N10 | C11 | C12 | H12 | 120.1° | 119.9° |
| N10 | C11 | C12 | H13 | 120.2° | 119.9° |
| C11 | N10 | C28 | C25 | 35.1° | 55.2° |
| N10 | C11 | C12 | N13 | 45.4° | 63.5° |
| N10 | C11 | C12 | C27 | 64.2° | 47.7° |
| C11 | N10 | C28 | H3 | 155.2° | 64.6° |
| C11 | N10 | C28 | H4 | 85.1° | 175.1° |
| N10 | C11 | H12 | H13 | 119.5° | 120.4° |
| N10 | C11 | C12 | H14 | 177.2° | 172.8° |
| C28 | N10 | C09 | C29 | 44.7° | 117.6° |
| C28 | N10 | C09 | N08 | 133.1° | 62.3° |
| C28 | N10 | C11 | C12 | 30.8° | 55.2° |
| N10 | C28 | C25 | H3 | 120.2° | 119.8° |
| N10 | C28 | C25 | H4 | 120.2° | 120.0° |
| N10 | C28 | C25 | N13 | 52.2° | 63.5° |
| N10 | C28 | C25 | C26 | 56.1° | 47.8° |
| N10 | C28 | H3 | H4 | 119.5° | 120.3° |
| C28 | N10 | C11 | H12 | 89.3° | 175.0° |
| C28 | N10 | C11 | H13 | 151.0° | 64.7° |
| N10 | C28 | C25 | H18 | 179.4° | 172.7° |
| C09 | C29 | C30 | C31 | 179.8° | 180.0° |
| C09 | C29 | C30 | N50 | 0.5° | 0.0° |
| C29 | C09 | N08 | C07 | 0.9° | 0.0° |
| C09 | C29 | C49 | H6 | 0.4° | 0.1° |
| C29 | C30 | C31 | N50 | 179.6° | 180.0° |
| C29 | C30 | C31 | F32 | 179.3° | 180.0° |
| C30 | C29 | C09 | N08 | 0.3° | 0.0° |
| C29 | C30 | N50 | C07 | 1.4° | 0.0° |
| C30 | C29 | C49 | H6 | 179.4° | 179.7° |
| C31 | C30 | N50 | C07 | 179.0° | 180.0° |
| F32 | C31 | C30 | N50 | 0.4° | 0.0° |
| C35 | C36 | C37 | C39 | 179.2° | 180.0° |
| C35 | C36 | C39 | C41 | 0.7° | 0.3° |
| C35 | C36 | C37 | C38 | 172.6° | 129.9° |
| C35 | C36 | C39 | F40 | 179.8° | 179.9° |
| C09 | N08 | C07 | N50 | 1.8° | 0.0° |
| C09 | N08 | C07 | O06 | 179.8° | 180.0° |
| C11 | C12 | N13 | C14 | 111.6° | 108.9° |
| C11 | C12 | N13 | C27 | 112.7° | 113.7° |
| C11 | C12 | N13 | H14 | 129.5° | 123.7° |
| C11 | C12 | N13 | C25 | 69.6° | 71.0° |
| C11 | C12 | C27 | H14 | 120.0° | 124.6° |
| C11 | C12 | C27 | C26 | 93.9° | 87.4° |
| C12 | C11 | H12 | H13 | 119.5° | 120.1° |
| C11 | C12 | C27 | H19 | 148.6° | 31.5° |
| C11 | C12 | C27 | H20 | 23.7° | 153.9° |
| C30 | N50 | C07 | N08 | 2.1° | 0.0° |
| C30 | N50 | C07 | O06 | 179.5° | 180.0° |
| C28 | C25 | N13 | C14 | 107.8° | 108.9° |
| C28 | C25 | N13 | C12 | 73.3° | 71.0° |
| C28 | C25 | N13 | C26 | 115.2° | 113.7° |
| C28 | C25 | N13 | H18 | 125.7° | 123.7° |
| C28 | C25 | C26 | H18 | 124.2° | 124.6° |
| C28 | C25 | C26 | C27 | 95.1° | 87.3° |
| C28 | C25 | C26 | H1 | 25.4° | 31.4° |
| C28 | C25 | C26 | H2 | 144.3° | 153.8° |
| C25 | C28 | H3 | H4 | 119.5° | 120.2° |
| N51 | C52 | C53 | H25 | 120.1° | 118.9° |
| N51 | C52 | C53 | H26 | 120.1° | 118.8° |
| C52 | N51 | C55 | C04 | 131.5° | 118.5° |
| N51 | C52 | C53 | C54 | 12.8° | 37.2° |
| C52 | N51 | C55 | C02 | 98.7° | 94.0° |
| C52 | N51 | C04 | C05 | 102.4° | 120.3° |
| C52 | N51 | C04 | C54 | 18.5° | 1.4° |
| C52 | N51 | C04 | C03 | 138.3° | 118.1° |
| N51 | C52 | H25 | H26 | 119.8° | 122.3° |
| N51 | C52 | C53 | H27 | 106.7° | 155.4° |
| N51 | C52 | C53 | H28 | 132.3° | 80.8° |
| C52 | N51 | C55 | H31 | 20.0° | 147.1° |
| C52 | N51 | C55 | H32 | 142.6° | 24.9° |
| C53 | C52 | N51 | C55 | 127.9° | 94.0° |
| C53 | C52 | N51 | C04 | 3.2° | 24.5° |
| C52 | C53 | C54 | H27 | 119.5° | 118.1° |
| C52 | C53 | C54 | H28 | 119.5° | 118.0° |
| C52 | C53 | C54 | C04 | 23.6° | 35.6° |
| C53 | C52 | H25 | H26 | 119.8° | 122.3° |
| C52 | C53 | H27 | H28 | 121.5° | 123.8° |
| C52 | C53 | C54 | H29 | 142.7° | 154.0° |
| C52 | C53 | C54 | H30 | 95.5° | 82.8° |
| C42 | C41 | C39 | C36 | 1.1° | 0.3° |
| C42 | C41 | C39 | H5 | 180.0° | 180.0° |
| C42 | C41 | C39 | F40 | 179.8° | 179.9° |
| N08 | C07 | N50 | O06 | 178.4° | 180.0° |
| N08 | C07 | O06 | C05 | 5.6° | 180.0° |
| N50 | C07 | O06 | C05 | 176.0° | 0.0° |
| N51 | C55 | C02 | H31 | 118.7° | 118.9° |
| N51 | C55 | C02 | H32 | 118.7° | 118.9° |
| C55 | N51 | C04 | C05 | 110.9° | 120.3° |
| C55 | N51 | C04 | C54 | 128.1° | 118.0° |
| C55 | N51 | C04 | C03 | 8.3° | 1.4° |
| N51 | C55 | C02 | F01 | 74.3° | 80.8° |
| N51 | C55 | C02 | C03 | 40.4° | 37.3° |
| N51 | C55 | C02 | H7 | 159.6° | 155.4° |
| C55 | N51 | C52 | H25 | 112.1° | 24.9° |
| C55 | N51 | C52 | H26 | 7.7° | 147.2° |
| N51 | C55 | H31 | H32 | 123.6° | 122.3° |
| N51 | C04 | C54 | C53 | 25.8° | 22.0° |
| C04 | N51 | C55 | C02 | 32.8° | 24.5° |
| N51 | C04 | C05 | O06 | 69.5° | 179.5° |
| N51 | C04 | C05 | C54 | 119.1° | 119.5° |
| N51 | C04 | C05 | C03 | 117.0° | 119.5° |
| N51 | C04 | C54 | C03 | 116.0° | 115.6° |
| N51 | C04 | C03 | C02 | 14.2° | 22.1° |
| N51 | C04 | C03 | H8 | 105.1° | 140.5° |
| N51 | C04 | C03 | H9 | 133.6° | 96.5° |
| N51 | C04 | C05 | H10 | 171.7° | 59.5° |
| N51 | C04 | C05 | H11 | 49.2° | 60.5° |
| C04 | N51 | C52 | H25 | 116.8° | 143.3° |
| C04 | N51 | C52 | H26 | 123.3° | 94.4° |
| N51 | C04 | C54 | H29 | 144.9° | 140.4° |
| N51 | C04 | C54 | H30 | 93.3° | 96.4° |
| C04 | N51 | C55 | H31 | 151.5° | 94.4° |
| C04 | N51 | C55 | H32 | 86.0° | 143.4° |
| C07 | O06 | C05 | C04 | 165.4° | 180.0° |
| C07 | O06 | C05 | H10 | 75.9° | 60.0° |
| C07 | O06 | C05 | H11 | 46.7° | 60.0° |
| C53 | C54 | C04 | C05 | 95.4° | 144.1° |
| C53 | C54 | C04 | H29 | 119.1° | 118.4° |
| C53 | C54 | C04 | H30 | 119.1° | 118.4° |
| C53 | C54 | C04 | C03 | 141.8° | 93.6° |
| C54 | C53 | C52 | H25 | 132.9° | 156.1° |
| C54 | C53 | C52 | H26 | 107.3° | 81.6° |
| C54 | C53 | H27 | H28 | 121.4° | 123.9° |
| C53 | C54 | H29 | H30 | 122.6° | 123.1° |
| C15 | C14 | O24 | N13 | 179.0° | 179.9° |
| C15 | C14 | N13 | C12 | 1.1° | 180.0° |
| C15 | C14 | N13 | C25 | 177.7° | 0.2° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 119.9° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| O24 | C14 | N13 | C12 | 179.9° | 0.1° |
| O24 | C14 | N13 | C25 | 1.4° | 179.7° |
| O24 | C14 | C15 | H15 | 0.0° | 90.0° |
| O24 | C14 | C15 | H16 | 120.0° | 30.0° |
| O24 | C14 | C15 | H17 | 120.0° | 150.1° |
| C14 | N13 | C12 | C25 | 178.8° | 179.8° |
| C14 | N13 | C12 | C27 | 135.6° | 137.4° |
| C14 | N13 | C25 | C26 | 137.0° | 137.4° |
| C14 | N13 | C12 | H14 | 17.9° | 14.8° |
| N13 | C14 | C15 | H15 | 179.0° | 89.9° |
| N13 | C14 | C15 | H16 | 61.0° | 150.0° |
| N13 | C14 | C15 | H17 | 59.0° | 30.0° |
| C14 | N13 | C25 | H18 | 17.8° | 14.9° |
| N13 | C12 | C27 | H14 | 122.5° | 122.2° |
| C12 | N13 | C25 | C26 | 41.8° | 42.8° |
| N13 | C12 | C27 | C26 | 23.7° | 25.8° |
| N13 | C12 | C11 | H12 | 74.7° | 176.6° |
| N13 | C12 | C11 | H13 | 165.6° | 56.4° |
| C12 | N13 | C25 | H18 | 161.0° | 165.3° |
| N13 | C12 | C27 | H19 | 93.9° | 144.7° |
| N13 | C12 | C27 | H20 | 141.2° | 92.9° |
| C25 | N13 | C12 | C27 | 43.1° | 42.8° |
| N13 | C25 | C26 | H18 | 120.6° | 122.2° |
| N13 | C25 | C26 | C27 | 20.1° | 25.9° |
| N13 | C25 | C26 | H1 | 140.5° | 144.7° |
| N13 | C25 | C26 | H2 | 100.5° | 92.9° |
| N13 | C25 | C28 | H3 | 172.4° | 56.3° |
| N13 | C25 | C28 | H4 | 68.0° | 176.5° |
| C25 | N13 | C12 | H14 | 160.9° | 165.4° |
| C55 | C02 | C03 | C04 | 38.0° | 35.7° |
| C55 | C02 | F01 | C03 | 113.5° | 112.2° |
| C55 | C02 | F01 | H7 | 127.4° | 123.9° |
| C55 | C02 | C03 | H7 | 122.2° | 118.1° |
| C55 | C02 | C03 | H8 | 81.4° | 154.1° |
| C55 | C02 | C03 | H9 | 157.3° | 83.0° |
| C02 | C55 | H31 | H32 | 123.6° | 122.3° |
| C12 | C27 | C26 | C25 | 1.3° | 0.0° |
| C12 | C27 | C26 | H19 | 117.5° | 118.8° |
| C12 | C27 | C26 | H20 | 117.5° | 118.7° |
| C12 | C27 | C26 | H1 | 119.2° | 118.8° |
| C12 | C27 | C26 | H2 | 121.8° | 118.8° |
| C27 | C12 | C11 | H12 | 175.7° | 72.1° |
| C27 | C12 | C11 | H13 | 56.0° | 167.7° |
| C12 | C27 | H19 | H20 | 126.8° | 122.3° |
| C37 | C36 | C39 | C41 | 179.9° | 179.7° |
| C37 | C36 | C39 | F40 | 0.9° | 0.0° |
| C36 | C37 | C38 | H21 | 139.1° | 148.7° |
| C36 | C39 | C41 | F40 | 179.1° | 179.8° |
| C39 | C36 | C37 | C38 | 8.2° | 50.1° |
| C36 | C39 | C41 | H5 | 178.9° | 179.7° |
| C25 | C26 | C27 | H1 | 120.5° | 118.7° |
| C25 | C26 | C27 | H2 | 120.5° | 118.9° |
| C25 | C26 | H1 | H2 | 118.5° | 122.4° |
| C26 | C25 | C28 | H3 | 64.1° | 167.6° |
| C26 | C25 | C28 | H4 | 176.2° | 72.2° |
| C25 | C26 | C27 | H19 | 116.2° | 118.8° |
| C25 | C26 | C27 | H20 | 118.9° | 118.8° |
| O06 | C05 | C04 | H10 | 118.7° | 120.0° |
| O06 | C05 | C04 | H11 | 118.8° | 120.0° |
| O06 | C05 | C04 | C54 | 171.4° | 61.0° |
| O06 | C05 | C04 | C03 | 47.5° | 60.0° |
| O06 | C05 | H10 | H11 | 123.6° | 120.0° |
| C05 | C04 | C54 | C03 | 122.8° | 122.3° |
| C05 | C04 | C03 | C02 | 134.3° | 144.2° |
| C05 | C04 | C03 | H8 | 14.9° | 97.4° |
| C05 | C04 | C03 | H9 | 106.4° | 25.7° |
| C04 | C05 | H10 | H11 | 123.6° | 120.0° |
| C05 | C04 | C54 | H29 | 23.7° | 97.4° |
| C05 | C04 | C54 | H30 | 145.4° | 25.8° |
| C39 | C41 | C42 | H22 | 179.3° | 179.8° |
| C54 | C04 | C03 | C02 | 102.6° | 93.5° |
| C54 | C04 | C03 | H8 | 138.1° | 24.9° |
| C54 | C04 | C03 | H9 | 16.8° | 148.0° |
| C54 | C04 | C05 | H10 | 52.7° | 179.0° |
| C54 | C04 | C05 | H11 | 69.8° | 59.0° |
| C04 | C54 | C53 | H27 | 95.9° | 153.7° |
| C04 | C54 | C53 | H28 | 143.1° | 82.5° |
| C04 | C54 | H29 | H30 | 122.6° | 123.2° |
| C04 | C03 | C02 | F01 | 79.2° | 82.4° |
| C04 | C03 | C02 | H8 | 119.4° | 118.4° |
| C04 | C03 | C02 | H9 | 119.4° | 118.6° |
| C04 | C03 | C02 | H7 | 160.2° | 153.8° |
| C04 | C03 | H8 | H9 | 121.8° | 123.2° |
| C03 | C04 | C05 | H10 | 71.3° | 60.0° |
| C03 | C04 | C05 | H11 | 166.2° | 179.9° |
| C03 | C04 | C54 | H29 | 99.1° | 24.8° |
| C03 | C04 | C54 | H30 | 22.7° | 148.0° |
| F40 | C39 | C41 | H5 | 0.2° | 0.1° |
| C27 | C26 | H1 | H2 | 118.5° | 122.4° |
| C26 | C27 | C12 | H14 | 146.1° | 148.0° |
| C27 | C26 | C25 | H18 | 140.7° | 148.1° |
| C26 | C27 | H19 | H20 | 126.8° | 122.4° |
| F01 | C02 | C03 | H7 | 120.6° | 123.9° |
| F01 | C02 | C03 | H8 | 161.4° | 36.0° |
| F01 | C02 | C03 | H9 | 40.2° | 159.0° |
| F01 | C02 | C55 | H31 | 44.5° | 160.4° |
| F01 | C02 | C55 | H32 | 167.0° | 38.2° |
| C02 | C03 | H8 | H9 | 121.8° | 123.0° |
| C03 | C02 | C55 | H31 | 159.1° | 81.6° |
| C03 | C02 | C55 | H32 | 78.3° | 156.2° |
| H1 | C26 | C25 | H18 | 98.8° | 93.1° |
| H1 | C26 | C27 | H19 | 123.3° | 0.1° |
| H1 | C26 | C27 | H20 | 1.6° | 122.5° |
| H2 | C26 | C25 | H18 | 20.2° | 29.3° |
| H2 | C26 | C27 | H19 | 4.3° | 122.3° |
| H2 | C26 | C27 | H20 | 120.6° | 0.1° |
| H3 | C28 | C25 | H18 | 60.4° | 67.4° |
| H4 | C28 | C25 | H18 | 59.2° | 52.7° |
| H5 | C41 | C42 | H22 | 0.7° | 0.3° |
| H7 | C02 | C03 | H8 | 40.8° | 87.8° |
| H7 | C02 | C03 | H9 | 80.4° | 35.1° |
| H7 | C02 | C55 | H31 | 81.6° | 36.5° |
| H7 | C02 | C55 | H32 | 40.9° | 85.6° |
| H12 | C11 | C12 | H14 | 57.0° | 52.9° |
| H13 | C11 | C12 | H14 | 62.6° | 67.3° |
| H14 | C12 | C27 | H19 | 28.6° | 93.1° |
| H14 | C12 | C27 | H20 | 96.4° | 29.3° |
| H15 | C15 | H16 | H17 | 119.9° | 120.0° |
| H25 | C52 | C53 | H27 | 13.4° | 85.7° |
| H25 | C52 | C53 | H28 | 107.6° | 38.0° |
| H26 | C52 | C53 | H27 | 133.2° | 36.6° |
| H26 | C52 | C53 | H28 | 12.2° | 160.3° |
| H27 | C53 | C54 | H29 | 23.2° | 87.8° |
| H27 | C53 | C54 | H30 | 145.0° | 35.4° |
| H28 | C53 | C54 | H29 | 97.8° | 36.0° |
| H28 | C53 | C54 | H30 | 24.0° | 159.2° |
