EVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N17 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
| N17 | C13 | sing | 1.33Å | 1.34Å | Aromatic |
| O11 | S8 | doub | 1.42Å | 1.45Å | |
| N14 | C15 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | N7 | sing | 1.38Å | 1.41Å | |
| C13 | N16 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | C5 | sing | 1.40Å | 1.41Å | |
| O12 | S8 | doub | 1.42Å | 1.45Å | |
| S8 | N9 | sing | 1.66Å | 1.71Å | |
| S8 | C4 | sing | 1.76Å | 1.78Å | |
| C15 | N16 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N19 | sing | 1.38Å | 1.41Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C41 | sing | 1.53Å | 1.50Å | |
| N19 | C20 | sing | 1.40Å | 1.41Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | O39 | sing | 1.36Å | 1.39Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| O39 | C40 | sing | 1.43Å | 1.43Å | |
| C23 | N26 | sing | 1.40Å | 1.42Å | |
| N26 | C31 | sing | 1.47Å | 1.46Å | |
| N26 | C27 | sing | 1.47Å | 1.45Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | N32 | sing | 1.47Å | 1.47Å | |
| N32 | C37 | sing | 1.47Å | 1.48Å | |
| N32 | C33 | sing | 1.47Å | 1.47Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C36 | N35 | sing | 1.47Å | 1.48Å | |
| C34 | N35 | sing | 1.47Å | 1.48Å | |
| N35 | C38 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| N19 | H39 | sing | 0.97Å | 1.00Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| N9 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C18 | N14 | 126.1° | 120.2° |
| C18 | N17 | C13 | 115.7° | 120.1° |
| N17 | C18 | H8 | 117.0° | 119.9° |
| C18 | N14 | C15 | 115.0° | 120.0° |
| N14 | C18 | H8 | 116.9° | 119.9° |
| N17 | C13 | N7 | 115.0° | 120.1° |
| N17 | C13 | N16 | 122.1° | 119.9° |
| O11 | S8 | O12 | 120.7° | 123.1° |
| O11 | S8 | N9 | 110.2° | 106.4° |
| O11 | S8 | C4 | 108.3° | 106.4° |
| N14 | C15 | N16 | 122.9° | 120.0° |
| N14 | C15 | N19 | 114.2° | 120.0° |
| N7 | C13 | N16 | 122.9° | 120.0° |
| C13 | N7 | C5 | 128.1° | 120.0° |
| C13 | N7 | H40 | 115.9° | 120.0° |
| C13 | N16 | C15 | 118.1° | 119.8° |
| N7 | C5 | C4 | 122.9° | 120.1° |
| N7 | C5 | C6 | 120.5° | 120.1° |
| C5 | N7 | H40 | 116.0° | 120.0° |
| O12 | S8 | N9 | 109.2° | 106.4° |
| O12 | S8 | C4 | 105.7° | 106.4° |
| N9 | S8 | C4 | 100.7° | 107.2° |
| S8 | N9 | C10 | 114.4° | 120.0° |
| S8 | N9 | H41 | 108.2° | 120.0° |
| S8 | C4 | C5 | 121.7° | 120.1° |
| S8 | C4 | C3 | 115.4° | 120.1° |
| N16 | C15 | N19 | 122.8° | 120.1° |
| C15 | N19 | C20 | 128.4° | 120.0° |
| C15 | N19 | H39 | 115.8° | 120.0° |
| C4 | C5 | C6 | 116.6° | 119.9° |
| C5 | C4 | C3 | 122.9° | 119.9° |
| C5 | C6 | C1 | 121.1° | 119.9° |
| C5 | C6 | H4 | 119.5° | 120.1° |
| N9 | C10 | C41 | 107.6° | 109.4° |
| N9 | C10 | H35 | 109.9° | 109.5° |
| N9 | C10 | H36 | 109.9° | 109.4° |
| C10 | N9 | H41 | 108.3° | 120.0° |
| C4 | C3 | C2 | 119.3° | 120.1° |
| C4 | C3 | H6 | 120.4° | 119.9° |
| C10 | C41 | H26 | 109.5° | 109.5° |
| C10 | C41 | H27 | 109.5° | 109.5° |
| C10 | C41 | H28 | 109.5° | 109.5° |
| C41 | C10 | H35 | 109.9° | 109.5° |
| C41 | C10 | H36 | 109.9° | 109.5° |
| N19 | C20 | C21 | 123.1° | 120.0° |
| N19 | C20 | C25 | 119.6° | 119.9° |
| C20 | N19 | H39 | 115.8° | 120.0° |
| C6 | C1 | C2 | 121.0° | 120.0° |
| C6 | C1 | H1 | 119.5° | 120.0° |
| C1 | C6 | H4 | 119.5° | 120.0° |
| C3 | C2 | C1 | 119.1° | 120.1° |
| C3 | C2 | H2 | 120.5° | 119.9° |
| C2 | C3 | H6 | 120.3° | 120.0° |
| C21 | C20 | C25 | 117.3° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.0° |
| C20 | C21 | H7 | 119.4° | 120.0° |
| C20 | C25 | C24 | 121.6° | 120.1° |
| C20 | C25 | H5 | 119.2° | 120.0° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C1 | C2 | H2 | 120.4° | 119.9° |
| C21 | C22 | O39 | 116.1° | 120.0° |
| C21 | C22 | C23 | 121.4° | 119.9° |
| C22 | C21 | H7 | 119.4° | 120.0° |
| C25 | C24 | C23 | 121.5° | 120.0° |
| C25 | C24 | H3 | 119.3° | 120.0° |
| C24 | C25 | H5 | 119.2° | 119.9° |
| O39 | C22 | C23 | 122.5° | 120.1° |
| C22 | O39 | C40 | 108.4° | 117.1° |
| C22 | C23 | C24 | 117.0° | 120.0° |
| C22 | C23 | N26 | 126.4° | 120.0° |
| C24 | C23 | N26 | 116.6° | 120.0° |
| C23 | C24 | H3 | 119.3° | 120.0° |
| O39 | C40 | H32 | 109.5° | 109.5° |
| O39 | C40 | H33 | 109.5° | 109.5° |
| O39 | C40 | H34 | 109.5° | 109.4° |
| C23 | N26 | C31 | 120.0° | 111.0° |
| C23 | N26 | C27 | 124.4° | 111.0° |
| C31 | N26 | C27 | 115.5° | 111.2° |
| N26 | C31 | C30 | 115.6° | 109.5° |
| N26 | C31 | H15 | 107.9° | 109.5° |
| N26 | C31 | H16 | 107.9° | 109.5° |
| N26 | C27 | C28 | 108.9° | 109.5° |
| N26 | C27 | H13 | 109.6° | 109.5° |
| N26 | C27 | H14 | 109.6° | 109.4° |
| C31 | C30 | C29 | 114.0° | 109.3° |
| C31 | C30 | H11 | 108.3° | 109.5° |
| C31 | C30 | H12 | 108.3° | 109.5° |
| C30 | C31 | H15 | 107.9° | 109.4° |
| C30 | C31 | H16 | 107.9° | 109.5° |
| C27 | C28 | C29 | 107.9° | 109.3° |
| C27 | C28 | H9 | 109.9° | 109.5° |
| C27 | C28 | H10 | 109.8° | 109.6° |
| C28 | C27 | H13 | 109.6° | 109.4° |
| C28 | C27 | H14 | 109.6° | 109.5° |
| C28 | C29 | C30 | 111.2° | 109.1° |
| C28 | C29 | N32 | 118.1° | 109.5° |
| C29 | C28 | H9 | 109.8° | 109.5° |
| C29 | C28 | H10 | 109.9° | 109.5° |
| C28 | C29 | H25 | 103.4° | 109.5° |
| C30 | C29 | N32 | 114.7° | 109.6° |
| C29 | C30 | H11 | 108.3° | 109.5° |
| C29 | C30 | H12 | 108.3° | 109.6° |
| C30 | C29 | H25 | 103.4° | 109.6° |
| C29 | N32 | C37 | 115.7° | 111.0° |
| C29 | N32 | C33 | 109.9° | 111.0° |
| N32 | C29 | H25 | 103.9° | 109.6° |
| C37 | N32 | C33 | 111.0° | 110.9° |
| N32 | C37 | C36 | 113.0° | 109.4° |
| N32 | C37 | H19 | 108.6° | 109.5° |
| N32 | C37 | H20 | 108.6° | 109.5° |
| N32 | C33 | C34 | 113.5° | 109.4° |
| N32 | C33 | H17 | 108.5° | 109.5° |
| N32 | C33 | H18 | 108.5° | 109.5° |
| C37 | C36 | N35 | 113.3° | 109.4° |
| C36 | C37 | H19 | 108.6° | 109.5° |
| C36 | C37 | H20 | 108.6° | 109.5° |
| C37 | C36 | H23 | 108.5° | 109.5° |
| C37 | C36 | H24 | 108.5° | 109.5° |
| C33 | C34 | N35 | 113.0° | 109.3° |
| C34 | C33 | H17 | 108.4° | 109.5° |
| C34 | C33 | H18 | 108.5° | 109.4° |
| C33 | C34 | H21 | 108.6° | 109.5° |
| C33 | C34 | H22 | 108.6° | 109.5° |
| C36 | N35 | C34 | 112.6° | 110.9° |
| C36 | N35 | C38 | 108.7° | 111.0° |
| N35 | C36 | H23 | 108.5° | 109.5° |
| N35 | C36 | H24 | 108.5° | 109.4° |
| C34 | N35 | C38 | 110.2° | 111.0° |
| N35 | C34 | H21 | 108.6° | 109.4° |
| N35 | C34 | H22 | 108.6° | 109.5° |
| N35 | C38 | H29 | 109.5° | 109.5° |
| N35 | C38 | H30 | 109.5° | 109.5° |
| N35 | C38 | H31 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H17 | C33 | H18 | 109.4° | 109.5° |
| H19 | C37 | H20 | 109.4° | 109.4° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H23 | C36 | H24 | 109.4° | 109.5° |
| H26 | C41 | H27 | 109.5° | 109.5° |
| H26 | C41 | H28 | 109.4° | 109.5° |
| H27 | C41 | H28 | 109.5° | 109.5° |
| H29 | C38 | H30 | 109.5° | 109.5° |
| H29 | C38 | H31 | 109.4° | 109.4° |
| H30 | C38 | H31 | 109.5° | 109.5° |
| H32 | C40 | H33 | 109.5° | 109.5° |
| H32 | C40 | H34 | 109.5° | 109.4° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H35 | C10 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | N14 | H8 | 180.0° | 179.6° |
| N17 | C18 | N14 | C15 | 0.1° | 0.1° |
| C18 | N17 | C13 | N7 | 179.9° | 180.0° |
| C18 | N17 | C13 | N16 | 0.2° | 0.1° |
| N14 | C18 | N17 | C13 | 0.4° | 0.1° |
| C18 | N14 | C15 | N16 | 0.3° | 0.1° |
| C18 | N14 | C15 | N19 | 179.7° | 179.9° |
| N17 | C13 | N7 | N16 | 180.0° | 179.9° |
| N17 | C13 | N7 | C5 | 179.0° | 5.8° |
| N17 | C13 | N16 | C15 | 0.2° | 0.0° |
| C13 | N17 | C18 | H8 | 179.6° | 179.7° |
| N17 | C13 | N7 | H40 | 1.0° | 174.1° |
| O11 | S8 | O12 | N9 | 129.3° | 122.9° |
| O11 | S8 | O12 | C4 | 123.1° | 123.0° |
| O11 | S8 | N9 | C4 | 114.2° | 113.6° |
| O11 | S8 | C4 | C5 | 13.4° | 177.9° |
| O11 | S8 | N9 | C10 | 53.4° | 50.0° |
| O11 | S8 | C4 | C3 | 166.5° | 2.8° |
| O11 | S8 | N9 | H41 | 67.3° | 130.1° |
| N14 | C15 | N16 | C13 | 0.4° | 0.1° |
| N14 | C15 | N16 | N19 | 180.0° | 180.0° |
| N14 | C15 | N19 | C20 | 179.6° | 3.6° |
| C15 | N14 | C18 | H8 | 179.8° | 179.7° |
| N14 | C15 | N19 | H39 | 0.4° | 176.4° |
| C13 | N7 | C5 | H40 | 180.0° | 179.9° |
| N7 | C13 | N16 | C15 | 179.8° | 180.0° |
| C13 | N7 | C5 | C4 | 149.3° | 150.8° |
| C13 | N7 | C5 | C6 | 31.9° | 30.1° |
| N16 | C13 | N7 | C5 | 1.0° | 174.2° |
| C13 | N16 | C15 | N19 | 179.6° | 180.0° |
| N16 | C13 | N7 | H40 | 179.0° | 5.9° |
| N7 | C5 | C4 | S8 | 0.7° | 0.8° |
| N7 | C5 | C4 | C6 | 178.8° | 179.1° |
| N7 | C5 | C4 | C3 | 179.2° | 179.9° |
| N7 | C5 | C6 | C1 | 179.4° | 179.7° |
| N7 | C5 | C6 | H4 | 0.6° | 0.3° |
| O12 | S8 | N9 | C4 | 110.9° | 113.6° |
| O12 | S8 | C4 | C5 | 144.1° | 49.1° |
| O12 | S8 | N9 | C10 | 171.8° | 177.2° |
| O12 | S8 | C4 | C3 | 35.8° | 130.1° |
| O12 | S8 | N9 | H41 | 67.5° | 2.8° |
| N9 | S8 | C4 | C5 | 102.3° | 64.4° |
| S8 | N9 | C10 | H41 | 120.7° | 180.0° |
| N9 | S8 | C4 | C3 | 77.8° | 116.4° |
| S8 | N9 | C10 | C41 | 173.6° | 163.3° |
| S8 | N9 | C10 | H35 | 66.7° | 43.3° |
| S8 | N9 | C10 | H36 | 53.9° | 76.7° |
| S8 | C4 | C5 | C3 | 179.9° | 179.3° |
| S8 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | S8 | N9 | C10 | 60.8° | 63.6° |
| S8 | C4 | C3 | C2 | 179.9° | 179.7° |
| S8 | C4 | C3 | H6 | 0.1° | 0.2° |
| C4 | S8 | N9 | H41 | 178.4° | 116.4° |
| N16 | C15 | N19 | C20 | 0.4° | 176.4° |
| N16 | C15 | N19 | H39 | 179.6° | 3.6° |
| C15 | N19 | C20 | H39 | 180.0° | 180.0° |
| C15 | N19 | C20 | C21 | 13.7° | 147.6° |
| C15 | N19 | C20 | C25 | 166.8° | 32.8° |
| C4 | C5 | C6 | C1 | 0.6° | 0.5° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C4 | C5 | C6 | H4 | 179.4° | 179.5° |
| C5 | C4 | C3 | H6 | 180.0° | 179.5° |
| C4 | C5 | N7 | H40 | 30.7° | 29.1° |
| C6 | C5 | C4 | C3 | 0.4° | 0.8° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.5° | 0.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.6° |
| C6 | C5 | N7 | H40 | 148.1° | 150.0° |
| N9 | C10 | C41 | H35 | 119.7° | 120.0° |
| N9 | C10 | C41 | H36 | 119.7° | 119.9° |
| N9 | C10 | C41 | H26 | 180.0° | 60.0° |
| N9 | C10 | C41 | H27 | 60.0° | 180.0° |
| N9 | C10 | C41 | H28 | 60.0° | 60.0° |
| N9 | C10 | H35 | H36 | 120.8° | 120.0° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C4 | C3 | C2 | H2 | 179.8° | 179.9° |
| C10 | C41 | H26 | H27 | 120.0° | 120.0° |
| C10 | C41 | H26 | H28 | 120.0° | 120.0° |
| C10 | C41 | H27 | H28 | 120.0° | 120.0° |
| C41 | C10 | H35 | H36 | 120.9° | 120.1° |
| C41 | C10 | N9 | H41 | 52.9° | 16.7° |
| N19 | C20 | C21 | C25 | 179.5° | 179.6° |
| N19 | C20 | C21 | C22 | 179.6° | 180.0° |
| N19 | C20 | C25 | C24 | 179.5° | 179.8° |
| N19 | C20 | C25 | H5 | 0.5° | 0.3° |
| N19 | C20 | C21 | H7 | 0.4° | 0.1° |
| C6 | C1 | C2 | C3 | 0.0° | 0.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | H2 | 179.9° | 179.8° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C20 | C21 | C22 | H7 | 180.0° | 179.9° |
| C21 | C20 | C25 | C24 | 0.0° | 0.1° |
| C20 | C21 | C22 | O39 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.5° |
| C21 | C20 | C25 | H5 | 180.0° | 180.0° |
| C21 | C20 | N19 | H39 | 166.2° | 32.4° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C25 | C24 | H5 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 0.5° | 0.1° |
| C20 | C25 | C24 | H3 | 179.6° | 179.8° |
| C25 | C20 | C21 | H7 | 179.9° | 179.7° |
| C25 | C20 | N19 | H39 | 13.2° | 147.3° |
| C2 | C1 | C6 | H4 | 179.5° | 179.9° |
| C1 | C2 | C3 | H6 | 179.8° | 179.9° |
| C21 | C22 | O39 | C23 | 179.9° | 179.5° |
| C21 | C22 | C23 | C24 | 0.6° | 0.5° |
| C21 | C22 | O39 | C40 | 72.7° | 0.0° |
| C21 | C22 | C23 | N26 | 179.1° | 179.5° |
| C25 | C24 | C23 | C22 | 0.8° | 0.3° |
| C25 | C24 | C23 | H3 | 180.0° | 179.7° |
| C25 | C24 | C23 | N26 | 179.0° | 179.7° |
| O39 | C22 | C23 | C24 | 179.5° | 180.0° |
| O39 | C22 | C23 | N26 | 0.8° | 0.0° |
| O39 | C22 | C21 | H7 | 0.1° | 0.0° |
| C22 | O39 | C40 | H32 | 180.0° | 60.0° |
| C22 | O39 | C40 | H33 | 60.0° | 60.0° |
| C22 | O39 | C40 | H34 | 60.0° | 180.0° |
| C22 | C23 | C24 | N26 | 179.8° | 180.0° |
| C23 | C22 | O39 | C40 | 107.4° | 179.5° |
| C22 | C23 | N26 | C31 | 179.1° | 120.0° |
| C22 | C23 | N26 | C27 | 3.0° | 115.8° |
| C22 | C23 | C24 | H3 | 179.3° | 180.0° |
| C23 | C22 | C21 | H7 | 179.8° | 179.5° |
| C24 | C23 | N26 | C31 | 0.7° | 60.0° |
| C24 | C23 | N26 | C27 | 176.8° | 64.2° |
| C23 | C24 | C25 | H5 | 179.5° | 180.0° |
| O39 | C40 | H32 | H33 | 120.0° | 120.0° |
| O39 | C40 | H32 | H34 | 120.0° | 119.9° |
| O39 | C40 | H33 | H34 | 120.0° | 120.0° |
| C23 | N26 | C31 | C27 | 176.5° | 124.0° |
| C23 | N26 | C31 | C30 | 162.2° | 174.2° |
| C23 | N26 | C27 | C28 | 141.0° | 174.2° |
| N26 | C23 | C24 | H3 | 0.9° | 0.0° |
| C23 | N26 | C27 | H13 | 99.1° | 65.8° |
| C23 | N26 | C27 | H14 | 21.1° | 54.2° |
| C23 | N26 | C31 | H15 | 76.9° | 54.2° |
| C23 | N26 | C31 | H16 | 41.3° | 65.8° |
| N26 | C31 | C30 | H15 | 120.9° | 120.0° |
| N26 | C31 | C30 | H16 | 120.9° | 120.0° |
| C31 | N26 | C27 | C28 | 35.3° | 61.8° |
| N26 | C31 | C30 | C29 | 44.4° | 59.2° |
| N26 | C31 | C30 | H11 | 165.0° | 179.2° |
| N26 | C31 | C30 | H12 | 76.3° | 60.8° |
| C31 | N26 | C27 | H13 | 84.6° | 58.2° |
| C31 | N26 | C27 | H14 | 155.2° | 178.2° |
| N26 | C31 | H15 | H16 | 117.2° | 120.0° |
| C27 | N26 | C31 | C30 | 21.3° | 61.8° |
| N26 | C27 | C28 | H13 | 119.9° | 120.0° |
| N26 | C27 | C28 | H14 | 119.9° | 120.0° |
| N26 | C27 | C28 | C29 | 72.1° | 59.2° |
| N26 | C27 | C28 | H9 | 168.1° | 60.7° |
| N26 | C27 | C28 | H10 | 47.7° | 179.2° |
| N26 | C27 | H13 | H14 | 120.3° | 120.0° |
| C27 | N26 | C31 | H15 | 99.6° | 178.2° |
| C27 | N26 | C31 | H16 | 142.2° | 58.2° |
| C31 | C30 | C29 | C28 | 7.4° | 57.7° |
| C31 | C30 | C29 | H11 | 120.7° | 119.9° |
| C31 | C30 | C29 | H12 | 120.7° | 120.0° |
| C31 | C30 | C29 | N32 | 129.8° | 62.2° |
| C31 | C30 | H11 | H12 | 117.9° | 120.1° |
| C30 | C31 | H15 | H16 | 117.2° | 119.9° |
| C31 | C30 | C29 | H25 | 117.9° | 177.5° |
| C27 | C28 | C29 | H9 | 119.8° | 119.9° |
| C27 | C28 | C29 | H10 | 119.8° | 120.0° |
| C27 | C28 | C29 | C30 | 47.5° | 57.7° |
| C27 | C28 | C29 | N32 | 176.9° | 62.3° |
| C27 | C28 | H9 | H10 | 120.7° | 120.1° |
| C28 | C27 | H13 | H14 | 120.3° | 120.0° |
| C27 | C28 | C29 | H25 | 62.9° | 177.6° |
| C28 | C29 | C30 | N32 | 137.2° | 119.9° |
| C28 | C29 | C30 | H25 | 110.4° | 119.9° |
| C28 | C29 | N32 | H25 | 113.8° | 120.1° |
| C28 | C29 | N32 | C37 | 41.1° | 56.1° |
| C28 | C29 | N32 | C33 | 167.7° | 179.9° |
| C29 | C28 | H9 | H10 | 120.7° | 120.1° |
| C28 | C29 | C30 | H11 | 128.1° | 177.6° |
| C28 | C29 | C30 | H12 | 113.2° | 62.4° |
| C29 | C28 | C27 | H13 | 47.8° | 60.8° |
| C29 | C28 | C27 | H14 | 168.0° | 179.2° |
| C30 | C29 | N32 | H25 | 112.1° | 120.2° |
| C30 | C29 | N32 | C37 | 175.2° | 175.7° |
| C30 | C29 | N32 | C33 | 58.2° | 60.5° |
| C30 | C29 | C28 | H9 | 167.3° | 62.3° |
| C30 | C29 | C28 | H10 | 72.3° | 177.7° |
| C29 | C30 | H11 | H12 | 118.0° | 120.1° |
| C29 | C30 | C31 | H15 | 76.5° | 179.3° |
| C29 | C30 | C31 | H16 | 165.3° | 60.8° |
| C29 | N32 | C37 | C33 | 126.1° | 123.9° |
| C29 | N32 | C37 | C36 | 178.3° | 176.8° |
| C29 | N32 | C33 | C34 | 178.1° | 176.8° |
| N32 | C29 | C28 | H9 | 57.2° | 177.8° |
| N32 | C29 | C28 | H10 | 63.3° | 57.8° |
| N32 | C29 | C30 | H11 | 9.1° | 57.7° |
| N32 | C29 | C30 | H12 | 109.6° | 177.8° |
| C29 | N32 | C33 | H17 | 57.5° | 63.2° |
| C29 | N32 | C33 | H18 | 61.3° | 56.9° |
| C29 | N32 | C37 | H19 | 57.8° | 56.8° |
| C29 | N32 | C37 | H20 | 61.2° | 63.2° |
| N32 | C37 | C36 | H19 | 120.5° | 120.0° |
| N32 | C37 | C36 | H20 | 120.5° | 120.0° |
| C37 | N32 | C33 | C34 | 52.7° | 59.3° |
| N32 | C37 | C36 | N35 | 51.2° | 58.3° |
| C37 | N32 | C33 | H17 | 173.3° | 60.7° |
| C37 | N32 | C33 | H18 | 67.9° | 179.2° |
| N32 | C37 | H19 | H20 | 118.4° | 120.0° |
| N32 | C37 | C36 | H23 | 171.8° | 178.3° |
| N32 | C37 | C36 | H24 | 69.4° | 61.5° |
| C37 | N32 | C29 | H25 | 72.7° | 64.0° |
| C33 | N32 | C37 | C36 | 52.2° | 59.3° |
| N32 | C33 | C34 | H17 | 120.6° | 120.0° |
| N32 | C33 | C34 | H18 | 120.6° | 119.9° |
| N32 | C33 | C34 | N35 | 51.7° | 58.4° |
| N32 | C33 | H17 | H18 | 118.1° | 120.1° |
| C33 | N32 | C37 | H19 | 68.3° | 179.3° |
| C33 | N32 | C37 | H20 | 172.8° | 60.7° |
| N32 | C33 | C34 | H21 | 68.8° | 61.5° |
| N32 | C33 | C34 | H22 | 172.2° | 178.4° |
| C33 | N32 | C29 | H25 | 53.9° | 59.8° |
| C37 | C36 | N35 | H23 | 120.6° | 120.0° |
| C37 | C36 | N35 | H24 | 120.6° | 119.9° |
| C37 | C36 | N35 | C34 | 49.0° | 59.3° |
| C37 | C36 | N35 | C38 | 171.4° | 176.8° |
| C36 | C37 | H19 | H20 | 118.4° | 120.0° |
| C37 | C36 | H23 | H24 | 118.2° | 120.1° |
| C33 | C34 | N35 | C36 | 49.0° | 59.3° |
| C33 | C34 | N35 | H21 | 120.5° | 120.0° |
| C33 | C34 | N35 | H22 | 120.5° | 120.0° |
| C33 | C34 | N35 | C38 | 170.6° | 176.8° |
| C34 | C33 | H17 | H18 | 118.2° | 120.0° |
| C33 | C34 | H21 | H22 | 118.4° | 120.1° |
| C36 | N35 | C34 | C38 | 121.6° | 123.9° |
| N35 | C36 | C37 | H19 | 69.3° | 178.4° |
| N35 | C36 | C37 | H20 | 171.7° | 61.6° |
| C36 | N35 | C34 | H21 | 71.6° | 60.7° |
| C36 | N35 | C34 | H22 | 169.5° | 179.3° |
| N35 | C36 | H23 | H24 | 118.3° | 120.0° |
| C36 | N35 | C38 | H29 | 180.0° | 176.2° |
| C36 | N35 | C38 | H30 | 60.0° | 56.1° |
| C36 | N35 | C38 | H31 | 60.0° | 63.9° |
| N35 | C34 | C33 | H17 | 172.3° | 61.6° |
| N35 | C34 | C33 | H18 | 68.9° | 178.4° |
| N35 | C34 | H21 | H22 | 118.4° | 120.0° |
| C34 | N35 | C36 | H23 | 169.6° | 179.3° |
| C34 | N35 | C36 | H24 | 71.6° | 60.7° |
| C34 | N35 | C38 | H29 | 56.1° | 59.9° |
| C34 | N35 | C38 | H30 | 176.2° | 180.0° |
| C34 | N35 | C38 | H31 | 63.8° | 60.0° |
| C38 | N35 | C34 | H21 | 50.0° | 63.3° |
| C38 | N35 | C34 | H22 | 68.9° | 56.8° |
| C38 | N35 | C36 | H23 | 68.0° | 56.8° |
| C38 | N35 | C36 | H24 | 50.8° | 63.3° |
| N35 | C38 | H29 | H30 | 120.0° | 120.1° |
| N35 | C38 | H29 | H31 | 120.0° | 119.9° |
| N35 | C38 | H30 | H31 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.2° |
| H1 | C1 | C6 | H4 | 0.5° | 0.4° |
| H2 | C2 | C3 | H6 | 0.1° | 0.1° |
| H3 | C24 | C25 | H5 | 0.5° | 0.3° |
| H9 | C28 | C27 | H13 | 72.0° | 179.3° |
| H9 | C28 | C27 | H14 | 48.2° | 59.3° |
| H9 | C28 | C29 | H25 | 56.9° | 57.7° |
| H10 | C28 | C27 | H13 | 167.6° | 59.2° |
| H10 | C28 | C27 | H14 | 72.2° | 60.8° |
| H10 | C28 | C29 | H25 | 177.3° | 62.4° |
| H11 | C30 | C31 | H15 | 44.1° | 60.8° |
| H11 | C30 | C31 | H16 | 74.1° | 59.1° |
| H11 | C30 | C29 | H25 | 121.5° | 62.6° |
| H12 | C30 | C31 | H15 | 162.8° | 59.2° |
| H12 | C30 | C31 | H16 | 44.6° | 179.2° |
| H12 | C30 | C29 | H25 | 2.8° | 57.5° |
| H17 | C33 | C34 | H21 | 51.8° | 178.5° |
| H17 | C33 | C34 | H22 | 67.2° | 58.3° |
| H18 | C33 | C34 | H21 | 170.6° | 58.4° |
| H18 | C33 | C34 | H22 | 51.6° | 61.7° |
| H19 | C37 | C36 | H23 | 51.2° | 61.7° |
| H19 | C37 | C36 | H24 | 170.1° | 58.5° |
| H20 | C37 | C36 | H23 | 67.7° | 58.3° |
| H20 | C37 | C36 | H24 | 51.1° | 178.5° |
| H26 | C41 | H27 | H28 | 120.0° | 120.0° |
| H26 | C41 | C10 | H35 | 60.2° | 180.0° |
| H26 | C41 | C10 | H36 | 60.3° | 59.9° |
| H27 | C41 | C10 | H35 | 179.7° | 60.0° |
| H27 | C41 | C10 | H36 | 59.7° | 60.1° |
| H28 | C41 | C10 | H35 | 59.7° | 60.0° |
| H28 | C41 | C10 | H36 | 179.7° | 179.9° |
| H29 | C38 | H30 | H31 | 120.0° | 120.0° |
| H32 | C40 | H33 | H34 | 120.0° | 120.0° |
| H35 | C10 | N9 | H41 | 172.6° | 136.7° |
| H36 | C10 | N9 | H41 | 66.8° | 103.3° |
