6V5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.50Å | |
| O8 | C7 | doub | 1.22Å | 1.21Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | O11 | sing | 1.43Å | 1.46Å | |
| C7 | N9 | sing | 1.35Å | 1.37Å | |
| C7 | C1 | sing | 1.48Å | 1.50Å | |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N9 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | N9 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| O11 | C3 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N17 | C16 | sing | 1.47Å | 1.46Å | |
| N17 | C20 | sing | 1.47Å | 1.50Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N10 | sing | 1.40Å | 1.42Å | |
| C29 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C21 | sing | 1.35Å | 1.39Å | |
| C28 | C25 | sing | 1.48Å | 1.47Å | |
| C28 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| N24 | C25 | doub | 1.30Å | 1.31Å | Aromatic |
| N24 | C22 | sing | 1.33Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C34 | sing | 1.48Å | 1.50Å | |
| C21 | C22 | sing | 1.47Å | 1.49Å | |
| C21 | O23 | doub | 1.22Å | 1.26Å | |
| C25 | S26 | sing | 1.76Å | 1.73Å | Aromatic |
| C22 | C27 | doub | 1.35Å | 1.35Å | Aromatic |
| C34 | N35 | sing | 1.35Å | 1.36Å | |
| C34 | O36 | doub | 1.22Å | 1.23Å | |
| N35 | C37 | sing | 1.40Å | 1.42Å | |
| C27 | S26 | sing | 1.71Å | 1.72Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C42 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| N35 | H29 | sing | 0.97Å | 1.00Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| C42 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | C13 | 111.4° | 109.5° |
| C14 | C12 | O11 | 111.0° | 109.5° |
| C14 | C12 | H4 | 109.9° | 109.5° |
| C12 | C14 | H8 | 109.5° | 109.4° |
| C12 | C14 | H9 | 109.5° | 109.5° |
| C12 | C14 | H10 | 109.5° | 109.4° |
| O8 | C7 | N9 | 122.1° | 120.0° |
| O8 | C7 | C1 | 117.5° | 120.0° |
| C13 | C12 | O11 | 104.1° | 109.4° |
| C13 | C12 | H4 | 110.0° | 109.4° |
| C12 | C13 | H5 | 109.5° | 109.4° |
| C12 | C13 | H6 | 109.4° | 109.4° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | O11 | C3 | 122.2° | 117.0° |
| O11 | C12 | H4 | 110.4° | 109.4° |
| N9 | C7 | C1 | 120.4° | 120.0° |
| C7 | N9 | C19 | 118.3° | 120.9° |
| C7 | N9 | C15 | 115.2° | 120.9° |
| C7 | C1 | C2 | 121.1° | 120.1° |
| C7 | C1 | C6 | 119.3° | 120.0° |
| C1 | C2 | C3 | 119.6° | 119.9° |
| C2 | C1 | C6 | 119.6° | 119.9° |
| C1 | C2 | H1 | 120.2° | 120.0° |
| C2 | C3 | O11 | 128.1° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C3 | C2 | H1 | 120.2° | 120.1° |
| N9 | C19 | C18 | 111.7° | 108.5° |
| C19 | N9 | C15 | 111.7° | 118.2° |
| N9 | C19 | H19 | 108.9° | 109.7° |
| N9 | C19 | H20 | 108.9° | 109.6° |
| C19 | C18 | N17 | 110.8° | 109.4° |
| C19 | C18 | H17 | 109.1° | 109.5° |
| C19 | C18 | H18 | 109.2° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.6° |
| C18 | C19 | H20 | 108.9° | 109.6° |
| N9 | C15 | C16 | 112.0° | 108.5° |
| N9 | C15 | H11 | 108.8° | 109.6° |
| N9 | C15 | H12 | 108.8° | 109.6° |
| C15 | C16 | N17 | 111.1° | 109.4° |
| C16 | C15 | H11 | 108.8° | 109.6° |
| C16 | C15 | H12 | 108.8° | 109.6° |
| C15 | C16 | H14 | 109.1° | 109.5° |
| C15 | C16 | H15 | 109.1° | 109.5° |
| C1 | C6 | C5 | 121.2° | 120.0° |
| C1 | C6 | H3 | 119.4° | 120.0° |
| O11 | C3 | C4 | 111.5° | 120.0° |
| C3 | C4 | C5 | 118.6° | 120.1° |
| C3 | C4 | N10 | 117.9° | 119.9° |
| C18 | N17 | C16 | 109.0° | 111.3° |
| C18 | N17 | C20 | 111.1° | 111.0° |
| N17 | C18 | H17 | 109.1° | 109.5° |
| N17 | C18 | H18 | 109.2° | 109.5° |
| C16 | N17 | C20 | 111.2° | 111.0° |
| N17 | C16 | H14 | 109.0° | 109.5° |
| N17 | C16 | H15 | 109.1° | 109.5° |
| N17 | C20 | H21 | 109.5° | 109.5° |
| N17 | C20 | H22 | 109.5° | 109.5° |
| N17 | C20 | H23 | 109.4° | 109.5° |
| C6 | C5 | C4 | 120.5° | 120.1° |
| C6 | C5 | H2 | 119.8° | 119.9° |
| C5 | C6 | H3 | 119.4° | 120.0° |
| C29 | C30 | C31 | 120.0° | 120.3° |
| C30 | C29 | C28 | 120.5° | 120.1° |
| C30 | C29 | H25 | 119.8° | 120.0° |
| C29 | C30 | H26 | 120.0° | 119.8° |
| C30 | C31 | C32 | 120.4° | 120.1° |
| C31 | C30 | H26 | 120.0° | 119.9° |
| C30 | C31 | H27 | 119.8° | 119.9° |
| C5 | C4 | N10 | 123.4° | 119.9° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| C4 | N10 | C21 | 132.5° | 120.0° |
| C4 | N10 | H13 | 113.8° | 120.0° |
| C29 | C28 | C25 | 119.9° | 120.0° |
| C29 | C28 | C33 | 119.4° | 119.9° |
| C28 | C29 | H25 | 119.7° | 119.9° |
| C31 | C32 | C33 | 119.3° | 119.9° |
| C31 | C32 | C34 | 118.3° | 120.1° |
| C32 | C31 | H27 | 119.8° | 119.9° |
| N10 | C21 | C22 | 113.0° | 120.0° |
| N10 | C21 | O23 | 125.5° | 120.0° |
| C21 | N10 | H13 | 113.8° | 120.0° |
| C25 | C28 | C33 | 120.7° | 120.1° |
| C28 | C25 | N24 | 125.7° | 125.3° |
| C28 | C25 | S26 | 119.7° | 125.3° |
| C28 | C33 | C32 | 120.4° | 119.7° |
| C28 | C33 | H28 | 119.8° | 120.1° |
| C25 | N24 | C22 | 110.4° | 115.8° |
| N24 | C25 | S26 | 114.6° | 109.4° |
| N24 | C22 | C21 | 120.8° | 122.4° |
| N24 | C22 | C27 | 115.4° | 115.1° |
| C33 | C32 | C34 | 122.4° | 120.1° |
| C32 | C33 | H28 | 119.8° | 120.2° |
| C32 | C34 | N35 | 116.0° | 120.0° |
| C32 | C34 | O36 | 120.9° | 120.0° |
| C22 | C21 | O23 | 121.4° | 120.0° |
| C21 | C22 | C27 | 123.7° | 122.5° |
| C25 | S26 | C27 | 89.6° | 90.5° |
| C22 | C27 | S26 | 110.0° | 109.2° |
| C22 | C27 | H24 | 125.0° | 125.4° |
| N35 | C34 | O36 | 123.2° | 120.0° |
| C34 | N35 | C37 | 128.8° | 120.0° |
| C34 | N35 | H29 | 115.6° | 120.0° |
| N35 | C37 | C38 | 123.6° | 120.0° |
| N35 | C37 | C42 | 116.9° | 120.1° |
| C37 | N35 | H29 | 115.6° | 119.9° |
| S26 | C27 | H24 | 125.0° | 125.4° |
| C38 | C37 | C42 | 119.5° | 119.9° |
| C37 | C38 | C39 | 119.9° | 119.9° |
| C37 | C38 | H30 | 120.1° | 120.1° |
| C37 | C42 | C41 | 120.0° | 119.9° |
| C37 | C42 | H34 | 120.0° | 120.0° |
| C38 | C39 | C40 | 120.4° | 120.1° |
| C39 | C38 | H30 | 120.1° | 120.0° |
| C38 | C39 | H31 | 119.8° | 120.0° |
| C42 | C41 | C40 | 120.3° | 120.1° |
| C42 | C41 | H33 | 119.9° | 119.9° |
| C41 | C42 | H34 | 120.0° | 120.0° |
| C39 | C40 | C41 | 120.0° | 120.1° |
| C40 | C39 | H31 | 119.8° | 120.0° |
| C39 | C40 | H32 | 120.0° | 119.9° |
| C41 | C40 | H32 | 120.0° | 119.9° |
| C40 | C41 | H33 | 119.9° | 120.0° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.8° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.8° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H23 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | C13 | O11 | 119.6° | 120.0° |
| C14 | C12 | C13 | H4 | 122.1° | 120.1° |
| C14 | C12 | O11 | H4 | 122.1° | 120.1° |
| C14 | C12 | O11 | C3 | 73.6° | 85.6° |
| C14 | C12 | C13 | H5 | 180.0° | 60.0° |
| C14 | C12 | C13 | H6 | 60.0° | 60.0° |
| C14 | C12 | C13 | H7 | 60.0° | 180.0° |
| C12 | C14 | H8 | H9 | 120.0° | 120.0° |
| C12 | C14 | H8 | H10 | 120.0° | 119.9° |
| C12 | C14 | H9 | H10 | 120.0° | 120.0° |
| O8 | C7 | N9 | C1 | 177.6° | 180.0° |
| O8 | C7 | C1 | C2 | 40.4° | 139.4° |
| O8 | C7 | N9 | C19 | 85.1° | 4.1° |
| O8 | C7 | N9 | C15 | 50.9° | 175.9° |
| O8 | C7 | C1 | C6 | 139.6° | 40.3° |
| C13 | C12 | O11 | H4 | 118.0° | 119.9° |
| C13 | C12 | O11 | C3 | 166.4° | 154.4° |
| C12 | C13 | H5 | H6 | 120.0° | 119.9° |
| C12 | C13 | H5 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H7 | 120.0° | 120.0° |
| C13 | C12 | C14 | H8 | 180.0° | 60.0° |
| C13 | C12 | C14 | H9 | 60.0° | 180.0° |
| C13 | C12 | C14 | H10 | 60.0° | 60.0° |
| C12 | O11 | C3 | C2 | 18.0° | 5.2° |
| C12 | O11 | C3 | C4 | 161.6° | 174.8° |
| O11 | C12 | C13 | H5 | 60.4° | 60.1° |
| O11 | C12 | C13 | H6 | 179.6° | 180.0° |
| O11 | C12 | C13 | H7 | 59.6° | 59.9° |
| O11 | C12 | C14 | H8 | 64.5° | 60.0° |
| O11 | C12 | C14 | H9 | 55.5° | 60.0° |
| O11 | C12 | C14 | H10 | 175.5° | 180.0° |
| N9 | C7 | C1 | C2 | 137.4° | 40.6° |
| C7 | N9 | C19 | C15 | 137.4° | 180.0° |
| C7 | N9 | C19 | C18 | 171.0° | 128.9° |
| C7 | N9 | C15 | C16 | 171.1° | 128.8° |
| N9 | C7 | C1 | C6 | 42.7° | 139.6° |
| C7 | N9 | C15 | H11 | 68.5° | 111.4° |
| C7 | N9 | C15 | H12 | 50.7° | 9.1° |
| C7 | N9 | C19 | H19 | 50.6° | 9.1° |
| C7 | N9 | C19 | H20 | 68.7° | 111.5° |
| C7 | C1 | C2 | C6 | 180.0° | 179.7° |
| C7 | C1 | C2 | C3 | 179.4° | 179.7° |
| C1 | C7 | N9 | C19 | 97.3° | 175.9° |
| C1 | C7 | N9 | C15 | 126.8° | 4.1° |
| C7 | C1 | C6 | C5 | 179.3° | 179.7° |
| C7 | C1 | C2 | H1 | 0.6° | 0.3° |
| C7 | C1 | C6 | H3 | 0.7° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | O11 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C2 | C1 | C6 | H3 | 179.3° | 180.0° |
| C3 | C2 | C1 | C6 | 0.6° | 0.0° |
| C2 | C3 | O11 | C4 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | N10 | 179.4° | 180.0° |
| N9 | C19 | C18 | H19 | 120.3° | 119.8° |
| N9 | C19 | C18 | H20 | 120.3° | 119.7° |
| C19 | N9 | C15 | C16 | 50.1° | 51.2° |
| N9 | C19 | C18 | N17 | 57.7° | 53.8° |
| C19 | N9 | C15 | H11 | 70.3° | 68.5° |
| C19 | N9 | C15 | H12 | 170.5° | 170.9° |
| N9 | C19 | C18 | H17 | 62.5° | 173.8° |
| N9 | C19 | C18 | H18 | 177.9° | 66.1° |
| N9 | C19 | H19 | H20 | 119.0° | 120.5° |
| C18 | C19 | N9 | C15 | 51.7° | 51.2° |
| C19 | C18 | N17 | H17 | 120.2° | 120.0° |
| C19 | C18 | N17 | H18 | 120.2° | 120.0° |
| C19 | C18 | N17 | C16 | 60.9° | 63.0° |
| C19 | C18 | N17 | C20 | 176.2° | 172.8° |
| C19 | C18 | H17 | H18 | 119.4° | 120.1° |
| C18 | C19 | H19 | H20 | 119.0° | 120.4° |
| N9 | C15 | C16 | H11 | 120.4° | 119.7° |
| N9 | C15 | C16 | H12 | 120.4° | 119.7° |
| N9 | C15 | C16 | N17 | 54.4° | 53.8° |
| N9 | C15 | H11 | H12 | 118.8° | 120.5° |
| N9 | C15 | C16 | H14 | 174.6° | 173.8° |
| N9 | C15 | C16 | H15 | 65.8° | 66.1° |
| C15 | N9 | C19 | H19 | 172.0° | 170.9° |
| C15 | N9 | C19 | H20 | 68.7° | 68.5° |
| C15 | C16 | N17 | C18 | 59.2° | 63.1° |
| C15 | C16 | N17 | H14 | 120.2° | 120.0° |
| C15 | C16 | N17 | H15 | 120.2° | 119.9° |
| C15 | C16 | N17 | C20 | 177.9° | 172.8° |
| C16 | C15 | H11 | H12 | 118.8° | 120.5° |
| C15 | C16 | H14 | H15 | 119.3° | 120.0° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | C1 | C2 | H1 | 179.4° | 180.0° |
| C1 | C6 | C5 | H2 | 179.5° | 180.0° |
| O11 | C3 | C4 | C5 | 179.8° | 180.0° |
| O11 | C3 | C4 | N10 | 1.0° | 0.0° |
| O11 | C3 | C2 | H1 | 0.1° | 0.0° |
| C3 | O11 | C12 | H4 | 48.4° | 34.5° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | N10 | 179.2° | 180.0° |
| C3 | C4 | N10 | C21 | 168.8° | 153.5° |
| C4 | C3 | C2 | H1 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C3 | C4 | N10 | H13 | 11.2° | 26.5° |
| C18 | N17 | C16 | C20 | 122.8° | 124.2° |
| C18 | N17 | C16 | H14 | 179.5° | 177.0° |
| C18 | N17 | C16 | H15 | 61.0° | 56.9° |
| N17 | C18 | H17 | H18 | 119.4° | 120.0° |
| N17 | C18 | C19 | H19 | 178.0° | 173.6° |
| N17 | C18 | C19 | H20 | 62.7° | 65.9° |
| C18 | N17 | C20 | H21 | 180.0° | 59.9° |
| C18 | N17 | C20 | H22 | 60.0° | 180.0° |
| C18 | N17 | C20 | H23 | 60.0° | 60.0° |
| N17 | C16 | C15 | H11 | 65.9° | 65.9° |
| N17 | C16 | C15 | H12 | 174.8° | 173.5° |
| N17 | C16 | H14 | H15 | 119.3° | 120.1° |
| C16 | N17 | C18 | H17 | 59.2° | 176.9° |
| C16 | N17 | C18 | H18 | 178.9° | 56.9° |
| C16 | N17 | C20 | H21 | 58.4° | 175.7° |
| C16 | N17 | C20 | H22 | 61.6° | 55.7° |
| C16 | N17 | C20 | H23 | 178.4° | 64.3° |
| C20 | N17 | C16 | H14 | 57.7° | 52.8° |
| C20 | N17 | C16 | H15 | 61.8° | 67.3° |
| C20 | N17 | C18 | H17 | 63.6° | 52.7° |
| C20 | N17 | C18 | H18 | 56.0° | 67.3° |
| N17 | C20 | H21 | H22 | 120.0° | 120.0° |
| N17 | C20 | H21 | H23 | 120.0° | 120.0° |
| N17 | C20 | H22 | H23 | 120.0° | 120.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | N10 | 179.4° | 180.0° |
| C29 | C30 | C31 | H26 | 180.0° | 180.0° |
| C30 | C29 | C28 | H25 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.5° | 0.0° |
| C30 | C29 | C28 | C25 | 179.6° | 179.9° |
| C30 | C29 | C28 | C33 | 1.3° | 0.3° |
| C29 | C30 | C31 | H27 | 178.5° | 180.0° |
| C31 | C30 | C29 | C28 | 0.5° | 0.0° |
| C30 | C31 | C32 | H27 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.7° | 0.3° |
| C30 | C31 | C32 | C34 | 179.3° | 179.9° |
| C31 | C30 | C29 | H25 | 179.5° | 180.0° |
| C5 | C4 | N10 | C21 | 12.0° | 26.4° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| C5 | C4 | N10 | H13 | 168.0° | 153.6° |
| C4 | N10 | C21 | H13 | 180.0° | 180.0° |
| C4 | N10 | C21 | C22 | 166.9° | 176.3° |
| C4 | N10 | C21 | O23 | 9.9° | 3.7° |
| N10 | C4 | C5 | H2 | 0.6° | 0.0° |
| C29 | C28 | C25 | C33 | 178.3° | 179.8° |
| C29 | C28 | C25 | N24 | 13.1° | 0.2° |
| C29 | C28 | C33 | C32 | 2.0° | 0.6° |
| C29 | C28 | C25 | S26 | 167.5° | 179.7° |
| C28 | C29 | C30 | H26 | 179.5° | 180.0° |
| C29 | C28 | C33 | H28 | 178.0° | 179.8° |
| C31 | C32 | C33 | C28 | 1.0° | 0.6° |
| C31 | C32 | C33 | C34 | 180.0° | 179.8° |
| C31 | C32 | C34 | N35 | 141.1° | 0.1° |
| C31 | C32 | C34 | O36 | 38.8° | 180.0° |
| C32 | C31 | C30 | H26 | 178.6° | 180.0° |
| C31 | C32 | C33 | H28 | 179.0° | 179.8° |
| N10 | C21 | C22 | N24 | 4.1° | 0.3° |
| N10 | C21 | C22 | O23 | 176.9° | 179.9° |
| N10 | C21 | C22 | C27 | 172.5° | 180.0° |
| C28 | C25 | N24 | S26 | 179.4° | 180.0° |
| C28 | C25 | N24 | C22 | 179.8° | 179.9° |
| C25 | C28 | C33 | C32 | 179.7° | 179.7° |
| C28 | C25 | S26 | C27 | 180.0° | 179.8° |
| C25 | C28 | C29 | H25 | 0.4° | 0.0° |
| C25 | C28 | C33 | H28 | 0.3° | 0.0° |
| C33 | C28 | C25 | N24 | 168.6° | 180.0° |
| C28 | C33 | C32 | H28 | 180.0° | 179.6° |
| C28 | C33 | C32 | C34 | 179.0° | 179.6° |
| C33 | C28 | C25 | S26 | 10.8° | 0.0° |
| C33 | C28 | C29 | H25 | 178.7° | 179.7° |
| C25 | N24 | C22 | C21 | 176.3° | 180.0° |
| C25 | N24 | C22 | C27 | 0.6° | 0.2° |
| N24 | C25 | S26 | C27 | 0.6° | 0.2° |
| N24 | C22 | C21 | C27 | 176.7° | 179.7° |
| N24 | C22 | C21 | O23 | 179.0° | 179.8° |
| C22 | N24 | C25 | S26 | 0.8° | 0.0° |
| N24 | C22 | C27 | S26 | 0.1° | 0.3° |
| N24 | C22 | C27 | H24 | 179.9° | 179.8° |
| C33 | C32 | C34 | N35 | 38.9° | 179.7° |
| C33 | C32 | C34 | O36 | 141.2° | 0.2° |
| C33 | C32 | C31 | H27 | 179.3° | 179.7° |
| C32 | C34 | N35 | O36 | 180.0° | 179.9° |
| C32 | C34 | N35 | C37 | 172.1° | 175.1° |
| C34 | C32 | C31 | H27 | 0.7° | 0.1° |
| C34 | C32 | C33 | H28 | 1.0° | 0.0° |
| C32 | C34 | N35 | H29 | 7.9° | 4.9° |
| C21 | C22 | C27 | S26 | 176.7° | 179.9° |
| C22 | C21 | N10 | H13 | 13.1° | 3.7° |
| C21 | C22 | C27 | H24 | 3.3° | 0.0° |
| O23 | C21 | C22 | C27 | 4.4° | 0.1° |
| O23 | C21 | N10 | H13 | 170.1° | 176.3° |
| C25 | S26 | C27 | C22 | 0.2° | 0.3° |
| C25 | S26 | C27 | H24 | 179.7° | 179.8° |
| C22 | C27 | S26 | H24 | 180.0° | 179.9° |
| C34 | N35 | C37 | H29 | 180.0° | 179.9° |
| C34 | N35 | C37 | C38 | 24.9° | 34.3° |
| C34 | N35 | C37 | C42 | 156.5° | 145.9° |
| O36 | C34 | N35 | C37 | 7.9° | 5.0° |
| O36 | C34 | N35 | H29 | 172.1° | 175.1° |
| N35 | C37 | C38 | C42 | 178.6° | 179.8° |
| N35 | C37 | C38 | C39 | 179.7° | 180.0° |
| N35 | C37 | C42 | C41 | 179.6° | 179.7° |
| N35 | C37 | C38 | H30 | 0.3° | 0.0° |
| N35 | C37 | C42 | H34 | 0.4° | 0.1° |
| C37 | C38 | C39 | H30 | 180.0° | 180.0° |
| C38 | C37 | C42 | C41 | 0.9° | 0.5° |
| C37 | C38 | C39 | C40 | 0.7° | 0.0° |
| C38 | C37 | N35 | H29 | 155.1° | 145.6° |
| C37 | C38 | C39 | H31 | 179.3° | 180.0° |
| C38 | C37 | C42 | H34 | 179.1° | 179.7° |
| C42 | C37 | C38 | C39 | 1.1° | 0.2° |
| C37 | C42 | C41 | H34 | 180.0° | 179.8° |
| C37 | C42 | C41 | C40 | 0.4° | 0.6° |
| C42 | C37 | N35 | H29 | 23.5° | 34.1° |
| C42 | C37 | C38 | H30 | 178.9° | 179.8° |
| C37 | C42 | C41 | H33 | 179.6° | 179.7° |
| C38 | C39 | C40 | H31 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.2° | 0.0° |
| C38 | C39 | C40 | H32 | 179.9° | 179.9° |
| C42 | C41 | C40 | C39 | 0.0° | 0.3° |
| C42 | C41 | C40 | H33 | 180.0° | 179.7° |
| C42 | C41 | C40 | H32 | 179.9° | 179.8° |
| C39 | C40 | C41 | H32 | 180.0° | 179.9° |
| C40 | C39 | C38 | H30 | 179.3° | 180.0° |
| C39 | C40 | C41 | H33 | 180.0° | 179.9° |
| C41 | C40 | C39 | H31 | 179.8° | 180.0° |
| C40 | C41 | C42 | H34 | 179.6° | 179.7° |
| H2 | C5 | C6 | H3 | 0.5° | 0.0° |
| H4 | C12 | C13 | H5 | 57.9° | 180.0° |
| H4 | C12 | C13 | H6 | 62.1° | 60.1° |
| H4 | C12 | C13 | H7 | 177.9° | 60.0° |
| H4 | C12 | C14 | H8 | 57.9° | 180.0° |
| H4 | C12 | C14 | H9 | 177.8° | 60.0° |
| H4 | C12 | C14 | H10 | 62.1° | 60.0° |
| H5 | C13 | H6 | H7 | 120.0° | 120.1° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C15 | C16 | H14 | 54.3° | 54.1° |
| H11 | C15 | C16 | H15 | 173.8° | 174.1° |
| H12 | C15 | C16 | H14 | 65.0° | 66.5° |
| H12 | C15 | C16 | H15 | 54.6° | 53.6° |
| H17 | C18 | C19 | H19 | 57.8° | 66.4° |
| H17 | C18 | C19 | H20 | 177.1° | 54.1° |
| H18 | C18 | C19 | H19 | 61.8° | 53.6° |
| H18 | C18 | C19 | H20 | 57.5° | 174.2° |
| H21 | C20 | H22 | H23 | 120.0° | 119.9° |
| H25 | C29 | C30 | H26 | 0.4° | 0.0° |
| H26 | C30 | C31 | H27 | 1.5° | 0.1° |
| H30 | C38 | C39 | H31 | 0.7° | 0.0° |
| H31 | C39 | C40 | H32 | 0.1° | 0.1° |
| H32 | C40 | C41 | H33 | 0.0° | 0.0° |
| H33 | C41 | C42 | H34 | 0.4° | 0.1° |
