J0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | N09 | doub | 1.29Å | 1.28Å | Aromatic |
| N10 | N11 | sing | 1.29Å | 1.37Å | Aromatic |
| N09 | C08 | sing | 1.35Å | 1.40Å | Aromatic |
| O22 | C16 | sing | 1.43Å | 1.40Å | |
| C15 | N11 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| N11 | C12 | sing | 1.35Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | S23 | sing | 1.81Å | 1.81Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C24 | S23 | sing | 1.81Å | 1.79Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O18 | sing | 1.43Å | 1.41Å | |
| C13 | C20 | sing | 1.53Å | 1.55Å | |
| C14 | O19 | sing | 1.43Å | 1.43Å | |
| C08 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C08 | C02 | sing | 1.48Å | 1.42Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| O21 | C20 | sing | 1.43Å | 1.41Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | N28 | sing | 1.47Å | 1.45Å | |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O26 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| N29 | N28 | sing | 1.29Å | 1.36Å | Aromatic |
| N29 | N32 | doub | 1.29Å | 1.28Å | Aromatic |
| N28 | C31 | sing | 1.35Å | 1.40Å | Aromatic |
| N32 | C30 | sing | 1.35Å | 1.40Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C33 | sing | 1.48Å | 1.47Å | |
| C06 | F07 | sing | 1.35Å | 1.35Å | |
| C33 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | F39 | sing | 1.35Å | 1.34Å | |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.08Å | 1.08Å | |
| O19 | H23 | sing | 0.97Å | 0.95Å | |
| O21 | H24 | sing | 0.97Å | 0.95Å | |
| O22 | H25 | sing | 0.97Å | 0.95Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | N10 | N11 | 109.2° | 110.5° |
| N10 | N09 | C08 | 111.2° | 108.8° |
| N10 | N11 | C15 | 124.9° | 125.7° |
| N10 | N11 | C12 | 107.7° | 108.6° |
| N09 | C08 | C12 | 104.7° | 106.2° |
| N09 | C08 | C02 | 123.9° | 126.9° |
| O22 | C16 | C15 | 103.7° | 109.5° |
| O22 | C16 | C17 | 111.6° | 109.5° |
| O22 | C16 | H6 | 112.3° | 109.5° |
| C16 | O22 | H25 | 109.5° | 113.9° |
| N11 | C15 | C16 | 114.6° | 109.5° |
| N11 | C15 | C14 | 111.8° | 109.5° |
| C15 | N11 | C12 | 127.4° | 125.7° |
| N11 | C15 | H5 | 107.5° | 109.6° |
| C16 | C15 | C14 | 109.8° | 109.0° |
| C15 | C16 | C17 | 108.3° | 109.2° |
| C16 | C15 | H5 | 106.3° | 109.6° |
| C15 | C16 | H6 | 110.1° | 109.5° |
| C15 | C14 | C13 | 107.6° | 109.2° |
| C15 | C14 | O19 | 109.0° | 109.5° |
| C15 | C14 | H4 | 109.7° | 109.5° |
| C14 | C15 | H5 | 106.3° | 109.6° |
| N11 | C12 | C08 | 107.2° | 106.0° |
| N11 | C12 | H3 | 126.4° | 127.1° |
| C16 | C17 | S23 | 107.2° | 109.5° |
| C16 | C17 | O18 | 107.9° | 109.4° |
| C17 | C16 | H6 | 110.6° | 109.5° |
| C16 | C17 | H13 | 112.4° | 109.5° |
| S23 | C17 | O18 | 106.2° | 109.5° |
| C17 | S23 | C24 | 100.6° | 103.0° |
| S23 | C17 | H13 | 108.7° | 109.5° |
| C17 | O18 | C13 | 113.2° | 114.0° |
| O18 | C17 | H13 | 114.0° | 109.5° |
| S23 | C24 | C25 | 113.9° | 109.5° |
| S23 | C24 | H7 | 108.4° | 109.5° |
| S23 | C24 | H8 | 108.4° | 109.5° |
| C24 | C25 | C27 | 106.9° | 109.5° |
| C24 | C25 | O26 | 109.4° | 109.5° |
| C25 | C24 | H7 | 108.3° | 109.5° |
| C25 | C24 | H8 | 108.4° | 109.5° |
| C24 | C25 | H16 | 110.2° | 109.5° |
| C14 | C13 | O18 | 108.4° | 109.4° |
| C14 | C13 | C20 | 108.0° | 109.5° |
| C13 | C14 | O19 | 109.3° | 109.5° |
| C13 | C14 | H4 | 109.9° | 109.5° |
| C14 | C13 | H12 | 110.4° | 109.5° |
| O18 | C13 | C20 | 107.7° | 109.5° |
| O18 | C13 | H12 | 112.2° | 109.5° |
| C13 | C20 | O21 | 106.9° | 109.5° |
| C20 | C13 | H12 | 110.1° | 109.5° |
| C13 | C20 | H14 | 110.1° | 109.4° |
| C13 | C20 | H15 | 110.1° | 109.4° |
| O19 | C14 | H4 | 111.3° | 109.5° |
| C14 | O19 | H23 | 109.5° | 114.0° |
| C12 | C08 | C02 | 131.3° | 126.9° |
| C08 | C12 | H3 | 126.4° | 126.9° |
| C08 | C02 | C03 | 122.0° | 120.1° |
| C08 | C02 | C01 | 121.1° | 120.1° |
| C02 | C03 | C04 | 122.3° | 119.9° |
| C03 | C02 | C01 | 116.8° | 119.8° |
| C02 | C03 | H1 | 118.8° | 120.1° |
| C03 | C04 | C05 | 121.6° | 120.2° |
| C04 | C03 | H1 | 118.9° | 120.1° |
| C03 | C04 | H11 | 119.2° | 119.9° |
| O21 | C20 | H14 | 110.1° | 109.5° |
| O21 | C20 | H15 | 110.1° | 109.5° |
| C20 | O21 | H24 | 109.5° | 114.0° |
| C25 | C27 | N28 | 115.5° | 109.4° |
| C27 | C25 | O26 | 108.2° | 109.4° |
| C27 | C25 | H16 | 109.9° | 109.5° |
| C25 | C27 | H17 | 107.9° | 109.4° |
| C25 | C27 | H18 | 108.0° | 109.5° |
| C27 | N28 | N29 | 126.2° | 125.7° |
| C27 | N28 | C31 | 126.5° | 125.8° |
| N28 | C27 | H17 | 108.0° | 109.5° |
| N28 | C27 | H18 | 108.0° | 109.5° |
| C02 | C01 | C06 | 119.3° | 119.9° |
| C02 | C01 | H10 | 120.3° | 120.1° |
| O26 | C25 | H16 | 112.0° | 109.5° |
| C25 | O26 | H26 | 109.5° | 114.0° |
| C04 | C05 | C06 | 114.7° | 120.2° |
| C04 | C05 | H2 | 122.7° | 119.9° |
| C05 | C04 | H11 | 119.2° | 119.9° |
| N28 | N29 | N32 | 108.9° | 110.5° |
| N29 | N28 | C31 | 107.3° | 108.5° |
| N29 | N32 | C30 | 112.0° | 108.8° |
| N28 | C31 | C30 | 107.7° | 106.0° |
| N28 | C31 | H19 | 126.2° | 127.0° |
| N32 | C30 | C31 | 104.1° | 106.2° |
| N32 | C30 | C33 | 124.2° | 126.9° |
| C01 | C06 | C05 | 125.2° | 120.1° |
| C01 | C06 | F07 | 118.5° | 120.0° |
| C06 | C01 | H10 | 120.4° | 120.1° |
| C31 | C30 | C33 | 131.7° | 126.9° |
| C30 | C31 | H19 | 126.2° | 127.0° |
| C05 | C06 | F07 | 116.2° | 119.9° |
| C06 | C05 | H2 | 122.7° | 119.9° |
| C30 | C33 | C34 | 122.4° | 120.1° |
| C30 | C33 | C38 | 122.2° | 120.1° |
| C34 | C33 | C38 | 115.4° | 119.8° |
| C33 | C34 | C35 | 121.1° | 119.8° |
| C33 | C34 | H20 | 119.4° | 120.1° |
| C33 | C38 | C37 | 123.0° | 120.0° |
| C33 | C38 | H22 | 118.5° | 120.0° |
| C34 | C35 | F39 | 118.6° | 119.9° |
| C34 | C35 | C36 | 123.6° | 120.1° |
| C35 | C34 | H20 | 119.5° | 120.1° |
| C38 | C37 | C36 | 122.0° | 120.1° |
| C38 | C37 | H9 | 119.0° | 120.0° |
| C37 | C38 | H22 | 118.5° | 120.0° |
| F39 | C35 | C36 | 117.8° | 120.0° |
| C35 | C36 | C37 | 115.0° | 120.2° |
| C35 | C36 | H21 | 122.5° | 119.9° |
| C36 | C37 | H9 | 119.0° | 119.9° |
| C37 | C36 | H21 | 122.5° | 119.9° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | N10 | N11 | C15 | 178.8° | 180.0° |
| N09 | N10 | N11 | C12 | 0.6° | 0.4° |
| N10 | N09 | C08 | C12 | 1.7° | 0.0° |
| N10 | N09 | C08 | C02 | 179.0° | 179.7° |
| N11 | N10 | N09 | C08 | 1.5° | 0.3° |
| N10 | N11 | C15 | C12 | 179.3° | 179.5° |
| N10 | N11 | C15 | C16 | 121.8° | 145.0° |
| N10 | N11 | C15 | C14 | 112.4° | 95.5° |
| N10 | N11 | C12 | C08 | 0.4° | 0.4° |
| N10 | N11 | C12 | H3 | 179.6° | 179.6° |
| N10 | N11 | C15 | H5 | 3.9° | 24.8° |
| N09 | C08 | C12 | N11 | 1.2° | 0.2° |
| N09 | C08 | C12 | C02 | 177.1° | 179.8° |
| N09 | C08 | C02 | C03 | 14.3° | 179.4° |
| N09 | C08 | C02 | C01 | 161.5° | 0.3° |
| N09 | C08 | C12 | H3 | 178.8° | 179.8° |
| O22 | C16 | C15 | N11 | 58.3° | 63.2° |
| O22 | C16 | C15 | C17 | 118.7° | 119.9° |
| O22 | C16 | C15 | H6 | 120.3° | 120.1° |
| O22 | C16 | C15 | C14 | 174.9° | 177.0° |
| O22 | C16 | C17 | H6 | 125.8° | 120.2° |
| O22 | C16 | C17 | S23 | 73.3° | 62.5° |
| O22 | C16 | C17 | O18 | 172.7° | 177.5° |
| O22 | C16 | C15 | H5 | 60.3° | 57.1° |
| O22 | C16 | C17 | H13 | 46.1° | 57.5° |
| N11 | C15 | C16 | C14 | 126.8° | 119.8° |
| N11 | C15 | C16 | H5 | 118.6° | 120.2° |
| N11 | C15 | C14 | H5 | 117.0° | 120.2° |
| N11 | C15 | C16 | C17 | 177.0° | 176.9° |
| N11 | C15 | C14 | C13 | 176.2° | 176.9° |
| N11 | C15 | C14 | O19 | 65.4° | 56.9° |
| C15 | N11 | C12 | C08 | 179.8° | 180.0° |
| C15 | N11 | C12 | H3 | 0.2° | 0.0° |
| N11 | C15 | C14 | H4 | 56.7° | 63.2° |
| N11 | C15 | C16 | H6 | 62.0° | 56.9° |
| C16 | C15 | C14 | H5 | 114.6° | 119.9° |
| C16 | C15 | N11 | C12 | 58.9° | 34.5° |
| C15 | C16 | C17 | H6 | 120.7° | 119.9° |
| C15 | C16 | C17 | S23 | 173.2° | 177.6° |
| C15 | C16 | C17 | O18 | 59.2° | 57.6° |
| C16 | C15 | C14 | C13 | 55.4° | 57.1° |
| C16 | C15 | C14 | O19 | 63.0° | 62.9° |
| C16 | C15 | C14 | H4 | 174.9° | 177.0° |
| C15 | C16 | C17 | H13 | 67.4° | 62.4° |
| C15 | C16 | O22 | H25 | 180.0° | 180.0° |
| C14 | C15 | N11 | C12 | 66.8° | 85.0° |
| C14 | C15 | C16 | C17 | 56.2° | 57.0° |
| C15 | C14 | C13 | O19 | 118.2° | 120.0° |
| C15 | C14 | C13 | H4 | 119.4° | 119.9° |
| C15 | C14 | C13 | O18 | 58.7° | 57.7° |
| C15 | C14 | C13 | C20 | 175.1° | 177.6° |
| C15 | C14 | O19 | H4 | 121.1° | 120.1° |
| C14 | C15 | C16 | H6 | 64.8° | 62.9° |
| C15 | C14 | C13 | H12 | 64.5° | 62.3° |
| C15 | C14 | O19 | H23 | 180.0° | 179.8° |
| N11 | C12 | C08 | H3 | 180.0° | 180.0° |
| N11 | C12 | C08 | C02 | 178.3° | 180.0° |
| C12 | N11 | C15 | H5 | 176.8° | 154.7° |
| C16 | C17 | S23 | O18 | 115.2° | 119.9° |
| C16 | C17 | S23 | H13 | 121.8° | 120.1° |
| C16 | C17 | O18 | H13 | 125.6° | 120.0° |
| C16 | C17 | S23 | C24 | 179.9° | 175.0° |
| C16 | C17 | O18 | C13 | 67.0° | 61.1° |
| C17 | C16 | C15 | H5 | 58.4° | 62.9° |
| C17 | C16 | O22 | H25 | 63.6° | 60.3° |
| S23 | C17 | O18 | H13 | 119.7° | 120.0° |
| C17 | S23 | C24 | C25 | 138.8° | 180.0° |
| S23 | C17 | O18 | C13 | 178.3° | 178.9° |
| S23 | C17 | C16 | H6 | 52.5° | 57.7° |
| C17 | S23 | C24 | H7 | 100.6° | 60.0° |
| C17 | S23 | C24 | H8 | 18.1° | 60.0° |
| O18 | C17 | S23 | C24 | 64.7° | 65.0° |
| C17 | O18 | C13 | C14 | 66.8° | 61.1° |
| C17 | O18 | C13 | C20 | 176.6° | 178.9° |
| O18 | C17 | C16 | H6 | 61.5° | 62.3° |
| C17 | O18 | C13 | H12 | 55.2° | 58.9° |
| S23 | C24 | C25 | H7 | 120.7° | 120.0° |
| S23 | C24 | C25 | H8 | 120.7° | 120.0° |
| S23 | C24 | C25 | C27 | 178.4° | 180.0° |
| S23 | C24 | C25 | O26 | 61.5° | 60.0° |
| S23 | C24 | H7 | H8 | 118.0° | 120.0° |
| C24 | S23 | C17 | H13 | 58.3° | 55.0° |
| S23 | C24 | C25 | H16 | 62.2° | 60.0° |
| C24 | C25 | C27 | O26 | 117.8° | 120.0° |
| C24 | C25 | C27 | H16 | 119.6° | 120.0° |
| C24 | C25 | C27 | N28 | 171.5° | 175.0° |
| C24 | C25 | O26 | H16 | 122.6° | 120.1° |
| C25 | C24 | H7 | H8 | 118.0° | 120.0° |
| C24 | C25 | C27 | H17 | 50.6° | 55.0° |
| C24 | C25 | C27 | H18 | 67.6° | 65.0° |
| C24 | C25 | O26 | H26 | 180.0° | 60.0° |
| C14 | C13 | O18 | C20 | 116.6° | 120.0° |
| C14 | C13 | O18 | H12 | 122.1° | 120.0° |
| C14 | C13 | C20 | H12 | 120.6° | 120.1° |
| C13 | C14 | O19 | H4 | 121.5° | 120.1° |
| C14 | C13 | C20 | O21 | 175.8° | 175.0° |
| C13 | C14 | C15 | H5 | 59.2° | 62.9° |
| C14 | C13 | C20 | H14 | 56.2° | 55.0° |
| C14 | C13 | C20 | H15 | 64.6° | 65.0° |
| C13 | C14 | O19 | H23 | 62.7° | 60.1° |
| O18 | C13 | C20 | H12 | 122.6° | 120.0° |
| O18 | C13 | C14 | O19 | 59.4° | 62.3° |
| O18 | C13 | C20 | O21 | 67.3° | 65.1° |
| O18 | C13 | C14 | H4 | 178.1° | 177.6° |
| C13 | O18 | C17 | H13 | 58.6° | 58.9° |
| O18 | C13 | C20 | H14 | 173.0° | 174.9° |
| O18 | C13 | C20 | H15 | 52.3° | 55.0° |
| C20 | C13 | C14 | O19 | 56.9° | 57.7° |
| C13 | C20 | O21 | H14 | 119.6° | 120.0° |
| C13 | C20 | O21 | H15 | 119.6° | 120.0° |
| C20 | C13 | C14 | H4 | 65.5° | 62.5° |
| C13 | C20 | H14 | H15 | 121.2° | 119.9° |
| C13 | C20 | O21 | H24 | 180.0° | 179.9° |
| O19 | C14 | C15 | H5 | 177.6° | 177.2° |
| O19 | C14 | C13 | H12 | 177.4° | 177.8° |
| C12 | C08 | C02 | C03 | 169.1° | 0.3° |
| C12 | C08 | C02 | C01 | 15.1° | 180.0° |
| C08 | C02 | C03 | C01 | 176.0° | 179.7° |
| C08 | C02 | C03 | C04 | 179.0° | 179.7° |
| C08 | C02 | C01 | C06 | 179.9° | 179.8° |
| C08 | C02 | C03 | H1 | 1.0° | 0.3° |
| C02 | C08 | C12 | H3 | 1.7° | 0.0° |
| C08 | C02 | C01 | H10 | 0.1° | 0.4° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.6° | 0.1° |
| C03 | C02 | C01 | C06 | 4.0° | 0.1° |
| C03 | C02 | C01 | H10 | 176.0° | 180.0° |
| C02 | C03 | C04 | H11 | 179.4° | 180.0° |
| C04 | C03 | C02 | C01 | 2.9° | 0.1° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C03 | C04 | C05 | H2 | 179.4° | 180.0° |
| O21 | C20 | C13 | H12 | 55.3° | 54.9° |
| O21 | C20 | H14 | H15 | 121.2° | 120.1° |
| C25 | C27 | N28 | H17 | 120.9° | 120.0° |
| C25 | C27 | N28 | H18 | 120.9° | 120.0° |
| C27 | C25 | O26 | H16 | 121.3° | 120.0° |
| C25 | C27 | N28 | N29 | 83.4° | 55.1° |
| C25 | C27 | N28 | C31 | 97.6° | 125.0° |
| C27 | C25 | C24 | H7 | 60.9° | 60.0° |
| C27 | C25 | C24 | H8 | 57.7° | 60.0° |
| C25 | C27 | H17 | H18 | 117.3° | 120.0° |
| C27 | C25 | O26 | H26 | 63.9° | 60.0° |
| N28 | C27 | C25 | O26 | 70.7° | 65.0° |
| C27 | N28 | N29 | C31 | 179.1° | 179.9° |
| C27 | N28 | N29 | N32 | 179.4° | 179.8° |
| C27 | N28 | C31 | C30 | 179.8° | 179.9° |
| N28 | C27 | C25 | H16 | 51.9° | 55.0° |
| N28 | C27 | H17 | H18 | 117.3° | 120.0° |
| C27 | N28 | C31 | H19 | 0.2° | 0.0° |
| C02 | C01 | C06 | H10 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 3.1° | 0.1° |
| C02 | C01 | C06 | F07 | 179.4° | 180.0° |
| C01 | C02 | C03 | H1 | 177.1° | 179.9° |
| O26 | C25 | C24 | H7 | 177.9° | 60.0° |
| O26 | C25 | C24 | H8 | 59.2° | 180.0° |
| O26 | C25 | C27 | H17 | 168.4° | 175.0° |
| O26 | C25 | C27 | H18 | 50.2° | 55.0° |
| C04 | C05 | C06 | C01 | 0.7° | 0.1° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | F07 | 177.0° | 180.0° |
| C05 | C04 | C03 | H1 | 179.4° | 180.0° |
| N28 | N29 | N32 | C30 | 1.4° | 0.4° |
| N29 | N28 | C31 | C30 | 1.0° | 0.0° |
| N29 | N28 | C27 | H17 | 37.5° | 175.0° |
| N29 | N28 | C27 | H18 | 155.7° | 64.9° |
| N29 | N28 | C31 | H19 | 179.0° | 179.9° |
| N32 | N29 | N28 | C31 | 1.5° | 0.3° |
| N29 | N32 | C30 | C31 | 0.7° | 0.4° |
| N29 | N32 | C30 | C33 | 179.2° | 179.8° |
| N28 | C31 | C30 | N32 | 0.3° | 0.2° |
| N28 | C31 | C30 | H19 | 180.0° | 179.9° |
| N28 | C31 | C30 | C33 | 179.9° | 180.0° |
| C31 | N28 | C27 | H17 | 141.5° | 5.1° |
| C31 | N28 | C27 | H18 | 23.2° | 115.0° |
| N32 | C30 | C31 | C33 | 179.8° | 179.7° |
| N32 | C30 | C33 | C34 | 9.9° | 0.3° |
| N32 | C30 | C33 | C38 | 170.4° | 179.4° |
| N32 | C30 | C31 | H19 | 179.8° | 179.8° |
| C01 | C06 | C05 | F07 | 176.3° | 179.9° |
| C01 | C06 | C05 | H2 | 179.3° | 180.0° |
| C31 | C30 | C33 | C34 | 169.9° | 180.0° |
| C31 | C30 | C33 | C38 | 9.8° | 0.3° |
| C05 | C06 | C01 | H10 | 176.9° | 180.0° |
| C06 | C05 | C04 | H11 | 179.4° | 180.0° |
| C30 | C33 | C34 | C38 | 179.7° | 179.7° |
| C30 | C33 | C34 | C35 | 179.9° | 179.7° |
| C30 | C33 | C38 | C37 | 179.6° | 179.7° |
| C33 | C30 | C31 | H19 | 0.1° | 0.1° |
| C30 | C33 | C34 | H20 | 0.0° | 0.4° |
| C30 | C33 | C38 | H22 | 0.4° | 0.3° |
| F07 | C06 | C05 | H2 | 3.0° | 0.0° |
| F07 | C06 | C01 | H10 | 0.6° | 0.1° |
| C33 | C34 | C35 | H20 | 180.0° | 179.9° |
| C34 | C33 | C38 | C37 | 0.6° | 0.0° |
| C33 | C34 | C35 | F39 | 179.9° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C34 | C33 | C38 | H22 | 179.4° | 180.0° |
| C38 | C33 | C34 | C35 | 0.3° | 0.1° |
| C33 | C38 | C37 | H22 | 180.0° | 180.0° |
| C33 | C38 | C37 | C36 | 0.9° | 0.0° |
| C33 | C38 | C37 | H9 | 179.1° | 180.0° |
| C38 | C33 | C34 | H20 | 179.7° | 180.0° |
| C34 | C35 | F39 | C36 | 179.6° | 180.0° |
| C34 | C35 | C36 | C37 | 0.5° | 0.0° |
| C34 | C35 | C36 | H21 | 179.5° | 180.0° |
| C38 | C37 | C36 | C35 | 0.8° | 0.0° |
| C38 | C37 | C36 | H9 | 180.0° | 180.0° |
| C38 | C37 | C36 | H21 | 179.2° | 180.0° |
| F39 | C35 | C36 | C37 | 179.9° | 180.0° |
| F39 | C35 | C34 | H20 | 0.1° | 0.1° |
| F39 | C35 | C36 | H21 | 0.1° | 0.0° |
| C35 | C36 | C37 | H21 | 180.0° | 180.0° |
| C35 | C36 | C37 | H9 | 179.2° | 180.0° |
| C36 | C35 | C34 | H20 | 179.7° | 179.9° |
| C36 | C37 | C38 | H22 | 179.1° | 180.0° |
| H1 | C03 | C04 | H11 | 0.6° | 0.0° |
| H2 | C05 | C04 | H11 | 0.6° | 0.0° |
| H4 | C14 | C15 | H5 | 60.3° | 57.0° |
| H4 | C14 | C13 | H12 | 54.9° | 57.6° |
| H4 | C14 | O19 | H23 | 58.8° | 60.1° |
| H5 | C15 | C16 | H6 | 179.4° | 177.2° |
| H6 | C16 | C17 | H13 | 171.9° | 177.7° |
| H6 | C16 | O22 | H25 | 61.2° | 59.9° |
| H7 | C24 | C25 | H16 | 58.5° | 180.0° |
| H8 | C24 | C25 | H16 | 177.2° | 60.0° |
| H9 | C37 | C36 | H21 | 0.8° | 0.0° |
| H9 | C37 | C38 | H22 | 0.9° | 0.0° |
| H12 | C13 | C20 | H14 | 64.3° | 65.1° |
| H12 | C13 | C20 | H15 | 174.9° | 175.0° |
| H14 | C20 | O21 | H24 | 60.4° | 60.1° |
| H15 | C20 | O21 | H24 | 60.4° | 59.9° |
| H16 | C25 | C27 | H17 | 69.0° | 65.0° |
| H16 | C25 | C27 | H18 | 172.8° | 175.0° |
| H16 | C25 | O26 | H26 | 57.4° | 180.0° |
