3ZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O23 | sing | 1.43Å | 1.44Å | |
| C33 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| O23 | C25 | sing | 1.43Å | 1.44Å | |
| N10 | C17 | sing | 1.48Å | 1.47Å | |
| N10 | C18 | sing | 1.49Å | 1.47Å | |
| C20 | C11 | sing | 1.51Å | 1.53Å | |
| C20 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | S35 | sing | 1.81Å | 1.81Å | |
| C25 | C22 | sing | 1.53Å | 1.55Å | |
| C17 | C4 | sing | 1.54Å | 1.54Å | |
| C18 | C7 | sing | 1.55Å | 1.53Å | |
| N5 | C7 | sing | 1.46Å | 1.44Å | |
| N5 | S35 | sing | 1.66Å | 1.63Å | |
| C7 | C4 | sing | 1.55Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | O19 | sing | 1.43Å | 1.45Å | |
| S35 | O36 | doub | 1.42Å | 1.46Å | |
| S35 | O37 | doub | 1.42Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| O19 | C9 | sing | 1.36Å | 1.42Å | |
| O12 | C1 | doub | 1.22Å | 1.23Å | |
| C3 | N2 | sing | 1.46Å | 1.48Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C15 | sing | 1.53Å | 1.56Å | |
| C1 | N2 | sing | 1.35Å | 1.39Å | |
| C1 | C6 | sing | 1.48Å | 1.53Å | |
| N2 | C15 | sing | 1.47Å | 1.48Å | |
| C9 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C27 | sing | 1.53Å | 1.55Å | |
| C13 | O21 | sing | 1.36Å | 1.42Å | |
| C13 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| O21 | C30 | sing | 1.43Å | 1.44Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.08Å | 1.08Å | |
| N10 | H33 | sing | 1.01Å | 1.00Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O23 | C25 | 112.3° | 114.0° |
| O23 | C31 | H35 | 109.5° | 109.5° |
| O23 | C31 | H36 | 109.5° | 109.5° |
| O23 | C31 | H37 | 109.5° | 109.5° |
| C29 | C33 | C34 | 120.7° | 120.0° |
| C33 | C29 | C20 | 119.4° | 120.0° |
| C33 | C29 | H25 | 120.3° | 120.0° |
| C29 | C33 | H39 | 119.7° | 120.0° |
| C33 | C34 | C32 | 119.9° | 120.0° |
| C34 | C33 | H39 | 119.6° | 120.0° |
| C33 | C34 | H40 | 120.0° | 120.0° |
| C29 | C20 | C11 | 119.5° | 120.0° |
| C29 | C20 | C28 | 119.7° | 120.0° |
| C20 | C29 | H25 | 120.3° | 120.0° |
| C34 | C32 | C28 | 119.4° | 120.0° |
| C34 | C32 | H38 | 120.3° | 119.9° |
| C32 | C34 | H40 | 120.0° | 120.0° |
| O23 | C25 | C22 | 110.9° | 109.4° |
| O23 | C25 | H16 | 109.1° | 109.5° |
| O23 | C25 | H17 | 109.1° | 109.5° |
| C17 | N10 | C18 | 109.5° | 105.8° |
| N10 | C17 | C4 | 106.6° | 107.0° |
| N10 | C17 | H8 | 110.2° | 109.9° |
| N10 | C17 | H9 | 110.2° | 110.1° |
| C17 | N10 | H33 | 109.4° | 111.0° |
| N10 | C18 | C7 | 103.3° | 103.2° |
| N10 | C18 | H10 | 111.0° | 110.7° |
| N10 | C18 | H11 | 111.0° | 110.8° |
| C18 | N10 | H33 | 109.5° | 111.0° |
| C11 | C20 | C28 | 120.8° | 119.9° |
| C20 | C11 | S35 | 109.1° | 109.4° |
| C20 | C11 | H3 | 109.6° | 109.4° |
| C20 | C11 | H4 | 109.6° | 109.5° |
| C20 | C28 | C32 | 120.8° | 120.0° |
| C20 | C28 | H24 | 119.6° | 120.1° |
| C32 | C28 | H24 | 119.6° | 120.0° |
| C28 | C32 | H38 | 120.3° | 120.0° |
| C11 | S35 | N5 | 97.4° | 104.4° |
| C11 | S35 | O36 | 109.9° | 110.5° |
| C11 | S35 | O37 | 111.4° | 110.5° |
| S35 | C11 | H3 | 109.6° | 109.4° |
| S35 | C11 | H4 | 109.6° | 109.5° |
| C25 | C22 | C24 | 112.5° | 109.4° |
| C25 | C22 | H12 | 108.7° | 109.5° |
| C25 | C22 | H13 | 108.7° | 109.4° |
| C22 | C25 | H16 | 109.1° | 109.5° |
| C22 | C25 | H17 | 109.1° | 109.4° |
| C17 | C4 | C7 | 104.7° | 105.2° |
| C17 | C4 | C3 | 117.9° | 110.3° |
| C4 | C17 | H8 | 110.2° | 109.9° |
| C4 | C17 | H9 | 110.2° | 109.9° |
| C17 | C4 | H29 | 107.3° | 110.3° |
| C18 | C7 | N5 | 111.6° | 110.7° |
| C18 | C7 | C4 | 105.4° | 102.9° |
| C7 | C18 | H10 | 111.0° | 110.7° |
| C7 | C18 | H11 | 111.0° | 110.6° |
| C18 | C7 | H31 | 109.1° | 110.7° |
| C7 | N5 | S35 | 120.8° | 120.0° |
| N5 | C7 | C4 | 111.3° | 110.7° |
| C7 | N5 | H30 | 106.6° | 120.0° |
| N5 | C7 | H31 | 110.3° | 110.7° |
| N5 | S35 | O36 | 106.1° | 104.3° |
| N5 | S35 | O37 | 111.2° | 104.3° |
| S35 | N5 | H30 | 106.6° | 120.0° |
| C7 | C4 | C3 | 111.9° | 110.3° |
| C7 | C4 | H29 | 107.3° | 110.4° |
| C4 | C7 | H31 | 108.9° | 110.9° |
| C22 | C24 | O19 | 112.4° | 109.4° |
| C24 | C22 | H12 | 108.7° | 109.5° |
| C24 | C22 | H13 | 108.7° | 109.5° |
| C22 | C24 | H14 | 108.7° | 109.4° |
| C22 | C24 | H15 | 108.7° | 109.5° |
| C24 | O19 | C9 | 123.7° | 117.0° |
| O19 | C24 | H14 | 108.7° | 109.4° |
| O19 | C24 | H15 | 108.7° | 109.5° |
| O36 | S35 | O37 | 118.7° | 121.0° |
| C4 | C3 | N2 | 118.3° | 109.5° |
| C4 | C3 | H1 | 107.2° | 109.5° |
| C4 | C3 | H2 | 107.2° | 109.5° |
| C3 | C4 | H29 | 107.2° | 110.2° |
| O19 | C9 | C8 | 122.1° | 119.9° |
| O19 | C9 | C13 | 118.2° | 120.1° |
| O12 | C1 | N2 | 124.3° | 120.1° |
| O12 | C1 | C6 | 112.2° | 120.0° |
| C3 | N2 | C1 | 121.7° | 120.1° |
| C3 | N2 | C15 | 119.1° | 120.0° |
| N2 | C3 | H1 | 107.2° | 109.5° |
| N2 | C3 | H2 | 107.2° | 109.4° |
| C9 | C8 | C6 | 120.9° | 119.8° |
| C8 | C9 | C13 | 119.7° | 120.0° |
| C9 | C8 | H32 | 119.6° | 120.1° |
| C8 | C6 | C1 | 119.4° | 120.0° |
| C8 | C6 | C14 | 119.3° | 119.9° |
| C6 | C8 | H32 | 119.5° | 120.1° |
| C26 | C15 | N2 | 114.9° | 109.5° |
| C26 | C15 | C27 | 115.7° | 109.5° |
| C26 | C15 | H6 | 103.5° | 109.5° |
| C15 | C26 | H18 | 109.5° | 109.5° |
| C15 | C26 | H19 | 109.5° | 109.5° |
| C15 | C26 | H20 | 109.5° | 109.5° |
| N2 | C1 | C6 | 123.5° | 120.0° |
| C1 | N2 | C15 | 118.9° | 120.0° |
| C1 | C6 | C14 | 121.3° | 120.1° |
| N2 | C15 | C27 | 112.9° | 109.5° |
| N2 | C15 | H6 | 104.3° | 109.5° |
| C9 | C13 | O21 | 119.1° | 119.9° |
| C9 | C13 | C16 | 118.7° | 120.2° |
| C6 | C14 | C16 | 120.7° | 120.0° |
| C6 | C14 | H5 | 119.6° | 120.0° |
| C27 | C15 | H6 | 103.5° | 109.5° |
| C15 | C27 | H21 | 109.5° | 109.5° |
| C15 | C27 | H22 | 109.5° | 109.5° |
| C15 | C27 | H23 | 109.5° | 109.5° |
| O21 | C13 | C16 | 122.2° | 120.0° |
| C13 | O21 | C30 | 124.8° | 116.9° |
| C13 | C16 | C14 | 120.5° | 120.2° |
| C13 | C16 | H7 | 119.8° | 119.9° |
| C16 | C14 | H5 | 119.6° | 120.0° |
| C14 | C16 | H7 | 119.7° | 119.9° |
| O21 | C30 | H26 | 109.5° | 109.5° |
| O21 | C30 | H27 | 109.5° | 109.4° |
| O21 | C30 | H28 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.9° |
| H10 | C18 | H11 | 109.5° | 110.6° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.4° |
| H18 | C26 | H20 | 109.4° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.4° | 109.4° |
| H21 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.4° | 109.4° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H28 | 109.4° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.4° | 109.5° |
| H35 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O23 | C25 | C22 | 124.0° | 180.0° |
| C31 | O23 | C25 | H16 | 115.8° | 60.0° |
| C31 | O23 | C25 | H17 | 3.7° | 60.1° |
| O23 | C31 | H35 | H36 | 120.0° | 120.0° |
| O23 | C31 | H35 | H37 | 120.0° | 120.0° |
| O23 | C31 | H36 | H37 | 120.0° | 120.0° |
| C29 | C33 | C34 | H39 | 180.0° | 179.9° |
| C33 | C29 | C20 | H25 | 180.0° | 180.0° |
| C29 | C33 | C34 | C32 | 2.4° | 0.4° |
| C33 | C29 | C20 | C11 | 179.2° | 179.9° |
| C33 | C29 | C20 | C28 | 0.4° | 0.3° |
| C29 | C33 | C34 | H40 | 177.6° | 180.0° |
| C34 | C33 | C29 | C20 | 1.4° | 0.1° |
| C33 | C34 | C32 | H40 | 180.0° | 179.6° |
| C33 | C34 | C32 | C28 | 1.6° | 0.3° |
| C34 | C33 | C29 | H25 | 178.6° | 179.9° |
| C33 | C34 | C32 | H38 | 178.4° | 179.7° |
| C29 | C20 | C11 | C28 | 179.5° | 179.6° |
| C29 | C20 | C28 | C32 | 1.2° | 0.3° |
| C29 | C20 | C11 | S35 | 90.2° | 90.3° |
| C29 | C20 | C11 | H3 | 149.8° | 29.6° |
| C29 | C20 | C11 | H4 | 29.7° | 149.7° |
| C29 | C20 | C28 | H24 | 178.8° | 179.7° |
| C20 | C29 | C33 | H39 | 178.6° | 180.0° |
| C34 | C32 | C28 | C20 | 0.2° | 0.0° |
| C34 | C32 | C28 | H38 | 180.0° | 180.0° |
| C34 | C32 | C28 | H24 | 179.8° | 180.0° |
| C32 | C34 | C33 | H39 | 177.6° | 179.7° |
| O23 | C25 | C22 | H16 | 120.2° | 120.0° |
| O23 | C25 | C22 | H17 | 120.2° | 119.9° |
| O23 | C25 | C22 | C24 | 77.0° | 180.0° |
| O23 | C25 | C22 | H12 | 43.5° | 60.0° |
| O23 | C25 | C22 | H13 | 162.6° | 60.0° |
| O23 | C25 | H16 | H17 | 119.4° | 120.0° |
| C25 | O23 | C31 | H35 | 180.0° | 60.0° |
| C25 | O23 | C31 | H36 | 60.0° | 180.0° |
| C25 | O23 | C31 | H37 | 60.0° | 60.0° |
| C17 | N10 | C18 | H33 | 120.0° | 120.6° |
| N10 | C17 | C4 | H8 | 119.6° | 119.3° |
| N10 | C17 | C4 | H9 | 119.5° | 119.5° |
| C17 | N10 | C18 | C7 | 30.9° | 39.2° |
| N10 | C17 | C4 | C7 | 2.7° | 1.2° |
| N10 | C17 | C4 | C3 | 122.4° | 117.7° |
| N10 | C17 | H8 | H9 | 121.3° | 121.3° |
| C17 | N10 | C18 | H10 | 88.1° | 79.2° |
| C17 | N10 | C18 | H11 | 149.9° | 157.7° |
| N10 | C17 | C4 | H29 | 116.5° | 120.3° |
| C18 | N10 | C17 | C4 | 17.9° | 25.4° |
| N10 | C18 | C7 | H10 | 119.0° | 118.5° |
| N10 | C18 | C7 | H11 | 119.0° | 118.6° |
| N10 | C18 | C7 | N5 | 89.4° | 155.8° |
| N10 | C18 | C7 | C4 | 31.6° | 37.4° |
| C18 | N10 | C17 | H8 | 137.4° | 144.7° |
| C18 | N10 | C17 | H9 | 101.7° | 94.1° |
| N10 | C18 | H10 | H11 | 122.8° | 123.2° |
| N10 | C18 | C7 | H31 | 148.4° | 81.1° |
| C11 | C20 | C28 | C32 | 178.4° | 180.0° |
| C20 | C11 | S35 | H3 | 119.9° | 119.9° |
| C20 | C11 | S35 | H4 | 120.0° | 120.1° |
| C20 | C11 | S35 | N5 | 77.0° | 180.0° |
| C20 | C11 | S35 | O36 | 172.9° | 68.4° |
| C20 | C11 | S35 | O37 | 39.2° | 68.3° |
| C20 | C11 | H3 | H4 | 120.2° | 120.1° |
| C11 | C20 | C28 | H24 | 1.6° | 0.1° |
| C11 | C20 | C29 | H25 | 0.9° | 0.1° |
| C20 | C28 | C32 | H24 | 180.0° | 179.9° |
| C28 | C20 | C11 | S35 | 90.2° | 90.1° |
| C28 | C20 | C11 | H3 | 29.7° | 150.0° |
| C28 | C20 | C11 | H4 | 149.8° | 30.0° |
| C28 | C20 | C29 | H25 | 179.6° | 179.7° |
| C20 | C28 | C32 | H38 | 179.8° | 180.0° |
| C28 | C32 | C34 | H40 | 178.4° | 180.0° |
| C11 | S35 | N5 | C7 | 151.4° | 65.0° |
| C11 | S35 | N5 | O36 | 113.2° | 116.0° |
| C11 | S35 | N5 | O37 | 116.4° | 116.1° |
| C11 | S35 | O36 | O37 | 129.9° | 131.5° |
| S35 | C11 | H3 | H4 | 120.2° | 120.0° |
| C11 | S35 | N5 | H30 | 29.8° | 115.0° |
| C25 | C22 | C24 | H12 | 120.4° | 120.0° |
| C25 | C22 | C24 | H13 | 120.4° | 119.9° |
| C25 | C22 | C24 | O19 | 171.2° | 180.0° |
| C25 | C22 | H12 | H13 | 118.6° | 120.0° |
| C25 | C22 | C24 | H14 | 50.8° | 60.1° |
| C25 | C22 | C24 | H15 | 68.4° | 60.0° |
| C22 | C25 | H16 | H17 | 119.3° | 120.0° |
| C17 | C4 | C7 | C18 | 21.0° | 21.9° |
| C17 | C4 | C7 | N5 | 100.2° | 140.3° |
| C17 | C4 | C7 | C3 | 128.8° | 118.9° |
| C17 | C4 | C7 | H29 | 113.8° | 119.0° |
| C17 | C4 | C3 | H29 | 121.1° | 122.1° |
| C17 | C4 | C3 | N2 | 68.0° | 62.0° |
| C17 | C4 | C3 | H1 | 53.2° | 178.0° |
| C17 | C4 | C3 | H2 | 170.7° | 58.0° |
| C4 | C17 | H8 | H9 | 121.3° | 121.2° |
| C17 | C4 | C7 | H31 | 138.0° | 96.4° |
| C4 | C17 | N10 | H33 | 137.9° | 95.2° |
| C18 | C7 | N5 | C4 | 117.5° | 113.5° |
| C18 | C7 | N5 | H31 | 121.4° | 123.2° |
| C18 | C7 | N5 | S35 | 135.3° | 96.5° |
| C18 | C7 | C4 | H31 | 116.9° | 118.4° |
| C18 | C7 | C4 | C3 | 107.8° | 140.9° |
| C7 | C18 | H10 | H11 | 122.9° | 123.0° |
| C18 | C7 | C4 | H29 | 134.9° | 97.1° |
| C18 | C7 | N5 | H30 | 13.7° | 83.5° |
| C7 | C18 | N10 | H33 | 150.9° | 81.3° |
| C7 | N5 | S35 | H30 | 121.6° | 180.0° |
| N5 | C7 | C4 | H31 | 121.9° | 123.3° |
| C7 | N5 | S35 | O36 | 95.4° | 51.0° |
| C7 | N5 | S35 | O37 | 35.0° | 178.9° |
| N5 | C7 | C4 | C3 | 131.0° | 100.8° |
| N5 | C7 | C18 | H10 | 151.5° | 37.3° |
| N5 | C7 | C18 | H11 | 29.5° | 85.6° |
| N5 | C7 | C4 | H29 | 13.7° | 21.3° |
| S35 | N5 | C7 | C4 | 107.1° | 150.0° |
| N5 | S35 | O36 | O37 | 125.9° | 116.8° |
| N5 | S35 | C11 | H3 | 163.0° | 60.0° |
| N5 | S35 | C11 | H4 | 43.0° | 60.0° |
| S35 | N5 | C7 | H31 | 13.9° | 26.7° |
| C7 | C4 | C3 | H29 | 117.4° | 122.1° |
| C7 | C4 | C3 | N2 | 170.5° | 177.7° |
| C7 | C4 | C3 | H1 | 68.3° | 62.3° |
| C7 | C4 | C3 | H2 | 49.2° | 57.8° |
| C7 | C4 | C17 | H8 | 116.9° | 120.5° |
| C7 | C4 | C17 | H9 | 122.2° | 118.3° |
| C4 | C7 | C18 | H10 | 87.5° | 81.0° |
| C4 | C7 | C18 | H11 | 150.5° | 156.0° |
| C4 | C7 | N5 | H30 | 131.3° | 29.9° |
| C22 | C24 | O19 | H14 | 120.4° | 119.9° |
| C22 | C24 | O19 | H15 | 120.4° | 120.0° |
| C22 | C24 | O19 | C9 | 87.9° | 180.0° |
| C24 | C22 | H12 | H13 | 118.6° | 120.0° |
| C22 | C24 | H14 | H15 | 118.6° | 120.1° |
| C24 | C22 | C25 | H16 | 162.8° | 60.0° |
| C24 | C22 | C25 | H17 | 43.3° | 60.1° |
| C24 | O19 | C9 | C8 | 3.6° | 0.0° |
| C24 | O19 | C9 | C13 | 176.7° | 180.0° |
| O19 | C24 | C22 | H12 | 68.4° | 60.0° |
| O19 | C24 | C22 | H13 | 50.8° | 60.0° |
| O19 | C24 | H14 | H15 | 118.6° | 120.0° |
| O36 | S35 | C11 | H3 | 52.9° | 171.7° |
| O36 | S35 | C11 | H4 | 67.2° | 51.7° |
| O36 | S35 | N5 | H30 | 143.0° | 128.9° |
| O37 | S35 | C11 | H3 | 80.7° | 51.6° |
| O37 | S35 | C11 | H4 | 159.2° | 171.6° |
| O37 | S35 | N5 | H30 | 86.6° | 1.1° |
| C4 | C3 | N2 | H1 | 121.3° | 120.1° |
| C4 | C3 | N2 | H2 | 121.2° | 120.0° |
| C4 | C3 | N2 | C1 | 54.4° | 132.8° |
| C4 | C3 | N2 | C15 | 132.5° | 47.2° |
| C4 | C3 | H1 | H2 | 116.0° | 120.0° |
| C3 | C4 | C17 | H8 | 118.0° | 1.6° |
| C3 | C4 | C17 | H9 | 2.9° | 122.8° |
| C3 | C4 | C7 | H31 | 9.1° | 22.5° |
| O19 | C9 | C8 | C13 | 179.6° | 180.0° |
| O19 | C9 | C8 | C6 | 179.9° | 180.0° |
| O19 | C9 | C13 | O21 | 0.6° | 0.0° |
| O19 | C9 | C13 | C16 | 179.0° | 179.8° |
| C9 | O19 | C24 | H14 | 32.5° | 60.0° |
| C9 | O19 | C24 | H15 | 151.6° | 60.0° |
| O19 | C9 | C8 | H32 | 0.1° | 0.0° |
| O12 | C1 | N2 | C3 | 5.0° | 178.1° |
| O12 | C1 | C6 | C8 | 95.6° | 40.0° |
| O12 | C1 | N2 | C6 | 178.5° | 179.8° |
| O12 | C1 | N2 | C15 | 178.1° | 1.9° |
| O12 | C1 | C6 | C14 | 84.7° | 139.8° |
| C3 | N2 | C15 | C26 | 67.0° | 45.4° |
| C3 | N2 | C1 | C15 | 173.1° | 180.0° |
| C3 | N2 | C1 | C6 | 176.6° | 1.6° |
| C3 | N2 | C15 | C27 | 68.7° | 74.6° |
| N2 | C3 | H1 | H2 | 116.0° | 119.9° |
| C3 | N2 | C15 | H6 | 179.6° | 165.4° |
| N2 | C3 | C4 | H29 | 53.1° | 60.2° |
| C9 | C8 | C6 | H32 | 180.0° | 180.0° |
| C9 | C8 | C6 | C1 | 179.3° | 180.0° |
| C9 | C8 | C6 | C14 | 0.5° | 0.2° |
| C8 | C9 | C13 | O21 | 179.8° | 180.0° |
| C8 | C9 | C13 | C16 | 1.3° | 0.2° |
| C8 | C6 | C1 | N2 | 83.0° | 139.7° |
| C8 | C6 | C1 | C14 | 179.7° | 179.8° |
| C6 | C8 | C9 | C13 | 0.5° | 0.0° |
| C8 | C6 | C14 | C16 | 1.3° | 0.3° |
| C8 | C6 | C14 | H5 | 178.7° | 179.8° |
| C26 | C15 | N2 | C1 | 119.6° | 134.7° |
| C26 | C15 | N2 | C27 | 135.7° | 120.0° |
| C26 | C15 | N2 | H6 | 112.6° | 120.0° |
| C26 | C15 | C27 | H6 | 112.5° | 120.0° |
| C15 | C26 | H18 | H19 | 120.0° | 120.0° |
| C15 | C26 | H18 | H20 | 120.0° | 120.0° |
| C15 | C26 | H19 | H20 | 120.0° | 120.0° |
| C26 | C15 | C27 | H21 | 180.0° | 60.1° |
| C26 | C15 | C27 | H22 | 60.0° | 180.0° |
| C26 | C15 | C27 | H23 | 60.0° | 60.0° |
| N2 | C1 | C6 | C14 | 96.7° | 40.5° |
| C1 | N2 | C15 | C27 | 104.6° | 105.3° |
| C1 | N2 | C3 | H1 | 175.6° | 107.2° |
| C1 | N2 | C3 | H2 | 66.9° | 12.8° |
| C1 | N2 | C15 | H6 | 7.1° | 14.7° |
| C6 | C1 | N2 | C15 | 3.4° | 178.4° |
| C1 | C6 | C14 | C16 | 178.4° | 180.0° |
| C1 | C6 | C14 | H5 | 1.5° | 0.0° |
| C1 | C6 | C8 | H32 | 0.7° | 0.0° |
| N2 | C15 | C27 | H6 | 112.1° | 120.0° |
| C15 | N2 | C3 | H1 | 11.3° | 72.9° |
| C15 | N2 | C3 | H2 | 106.3° | 167.2° |
| N2 | C15 | C26 | H18 | 180.0° | 180.0° |
| N2 | C15 | C26 | H19 | 60.0° | 60.0° |
| N2 | C15 | C26 | H20 | 60.0° | 60.0° |
| N2 | C15 | C27 | H21 | 44.7° | 59.9° |
| N2 | C15 | C27 | H22 | 164.6° | 60.0° |
| N2 | C15 | C27 | H23 | 75.4° | 180.0° |
| C9 | C13 | O21 | C16 | 178.4° | 179.7° |
| C9 | C13 | C16 | C14 | 2.2° | 0.2° |
| C9 | C13 | O21 | C30 | 146.1° | 179.7° |
| C9 | C13 | C16 | H7 | 177.8° | 179.8° |
| C13 | C9 | C8 | H32 | 179.5° | 180.0° |
| C6 | C14 | C16 | C13 | 2.1° | 0.0° |
| C6 | C14 | C16 | H5 | 180.0° | 179.9° |
| C6 | C14 | C16 | H7 | 177.8° | 180.0° |
| C14 | C6 | C8 | H32 | 179.6° | 179.8° |
| C27 | C15 | C26 | H18 | 45.5° | 60.0° |
| C27 | C15 | C26 | H19 | 165.5° | 180.0° |
| C27 | C15 | C26 | H20 | 74.5° | 60.0° |
| C15 | C27 | H21 | H22 | 120.0° | 120.0° |
| C15 | C27 | H21 | H23 | 120.0° | 120.1° |
| C15 | C27 | H22 | H23 | 120.0° | 120.0° |
| O21 | C13 | C16 | C14 | 179.5° | 180.0° |
| O21 | C13 | C16 | H7 | 0.6° | 0.0° |
| C13 | O21 | C30 | H26 | 180.0° | 180.0° |
| C13 | O21 | C30 | H27 | 60.0° | 60.0° |
| C13 | O21 | C30 | H28 | 60.0° | 60.0° |
| C13 | C16 | C14 | H7 | 180.0° | 180.0° |
| C16 | C13 | O21 | C30 | 35.5° | 0.0° |
| C13 | C16 | C14 | H5 | 177.9° | 180.0° |
| O21 | C30 | H26 | H27 | 120.0° | 119.9° |
| O21 | C30 | H26 | H28 | 120.0° | 120.0° |
| O21 | C30 | H27 | H28 | 120.0° | 120.0° |
| H1 | C3 | C4 | H29 | 174.3° | 59.9° |
| H2 | C3 | C4 | H29 | 68.2° | 179.9° |
| H5 | C14 | C16 | H7 | 2.2° | 0.1° |
| H6 | C15 | C26 | H18 | 67.0° | 60.0° |
| H6 | C15 | C26 | H19 | 53.0° | 60.0° |
| H6 | C15 | C26 | H20 | 173.0° | 180.0° |
| H6 | C15 | C27 | H21 | 67.5° | 180.0° |
| H6 | C15 | C27 | H22 | 52.5° | 60.0° |
| H6 | C15 | C27 | H23 | 172.5° | 59.9° |
| H8 | C17 | C4 | H29 | 3.0° | 120.4° |
| H8 | C17 | N10 | H33 | 102.6° | 24.1° |
| H9 | C17 | C4 | H29 | 123.9° | 0.7° |
| H9 | C17 | N10 | H33 | 18.3° | 145.3° |
| H10 | C18 | C7 | H31 | 29.4° | 160.4° |
| H10 | C18 | N10 | H33 | 31.8° | 160.2° |
| H11 | C18 | C7 | H31 | 92.6° | 37.5° |
| H11 | C18 | N10 | H33 | 90.1° | 37.1° |
| H12 | C22 | C24 | H14 | 171.2° | 59.9° |
| H12 | C22 | C24 | H15 | 52.1° | 180.0° |
| H12 | C22 | C25 | H16 | 76.7° | 180.0° |
| H12 | C22 | C25 | H17 | 163.7° | 60.0° |
| H13 | C22 | C24 | H14 | 69.7° | 180.0° |
| H13 | C22 | C24 | H15 | 171.2° | 60.0° |
| H13 | C22 | C25 | H16 | 42.4° | 60.0° |
| H13 | C22 | C25 | H17 | 77.2° | 180.0° |
| H18 | C26 | H19 | H20 | 119.9° | 120.0° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
| H24 | C28 | C32 | H38 | 0.2° | 0.0° |
| H25 | C29 | C33 | H39 | 1.3° | 0.0° |
| H26 | C30 | H27 | H28 | 119.9° | 120.0° |
| H29 | C4 | C7 | H31 | 108.2° | 144.6° |
| H30 | N5 | C7 | H31 | 107.7° | 153.3° |
| H35 | C31 | H36 | H37 | 120.0° | 119.9° |
| H38 | C32 | C34 | H40 | 1.6° | 0.0° |
| H39 | C33 | C34 | H40 | 2.4° | 0.1° |
