K9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C19 | sing | 1.36Å | 1.40Å | |
| C19 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | N2 | sing | 1.47Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.56Å | |
| C17 | N2 | sing | 1.39Å | 1.46Å | |
| C17 | C22 | doub | 1.41Å | 1.43Å | Aromatic |
| C21 | C22 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | C27 | sing | 1.41Å | 1.43Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.50Å | 1.54Å | |
| C22 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.36Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| N11 | C10 | sing | 1.39Å | 1.43Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| N11 | C16 | sing | 1.47Å | 1.49Å | |
| C10 | N9 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| C36 | N35 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C37 | N35 | sing | 1.47Å | 1.50Å | |
| N9 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| N35 | C34 | sing | 1.47Å | 1.46Å | |
| C8 | O32 | sing | 1.35Å | 1.36Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.61Å | |
| N14 | C15 | sing | 1.47Å | 1.51Å | |
| N14 | C23 | sing | 1.35Å | 1.36Å | |
| O32 | C33 | sing | 1.43Å | 1.45Å | |
| C23 | O25 | doub | 1.21Å | 1.26Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C38 | sing | 1.53Å | 1.54Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| O31 | H26 | sing | 0.97Å | 0.95Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C19 | C18 | 116.9° | 119.6° |
| O31 | C19 | C20 | 122.2° | 119.6° |
| C19 | O31 | H26 | 109.5° | 114.0° |
| C18 | C19 | C20 | 120.9° | 120.8° |
| C19 | C18 | C17 | 120.3° | 120.7° |
| C19 | C18 | H1 | 119.9° | 119.6° |
| C19 | C20 | C21 | 118.7° | 119.8° |
| C19 | C20 | H14 | 120.6° | 120.1° |
| C18 | C17 | N2 | 120.6° | 120.2° |
| C18 | C17 | C22 | 120.6° | 119.6° |
| C17 | C18 | H1 | 119.9° | 119.7° |
| C20 | C21 | C22 | 121.1° | 119.6° |
| C20 | C21 | C27 | 118.6° | 121.1° |
| C21 | C20 | H14 | 120.7° | 120.1° |
| N2 | C1 | C6 | 104.6° | 108.5° |
| C1 | N2 | C17 | 114.5° | 111.0° |
| C1 | N2 | C3 | 109.6° | 110.4° |
| N2 | C1 | H12 | 110.7° | 109.6° |
| N2 | C1 | H13 | 110.7° | 109.6° |
| C1 | C6 | C5 | 108.5° | 109.9° |
| C1 | C6 | H10 | 109.7° | 109.4° |
| C1 | C6 | H11 | 109.7° | 109.4° |
| C6 | C1 | H12 | 110.7° | 109.6° |
| C6 | C1 | H13 | 110.7° | 109.6° |
| N2 | C17 | C22 | 118.8° | 120.2° |
| C17 | N2 | C3 | 108.4° | 111.0° |
| C17 | C22 | C21 | 118.4° | 119.5° |
| C17 | C22 | C30 | 121.5° | 121.1° |
| C22 | C21 | C27 | 120.3° | 119.3° |
| C21 | C22 | C30 | 120.1° | 119.4° |
| C21 | C27 | C28 | 120.3° | 119.7° |
| C21 | C27 | H22 | 119.9° | 120.2° |
| N2 | C3 | C4 | 109.9° | 110.3° |
| N2 | C3 | H15 | 109.4° | 109.3° |
| N2 | C3 | H16 | 109.4° | 109.3° |
| C6 | C5 | C4 | 119.6° | 121.9° |
| C6 | C5 | C10 | 122.4° | 119.4° |
| C5 | C6 | H10 | 109.7° | 109.4° |
| C5 | C6 | H11 | 109.7° | 109.4° |
| C22 | C30 | C29 | 117.7° | 119.7° |
| C22 | C30 | H25 | 121.2° | 120.2° |
| C3 | C4 | C5 | 123.9° | 121.9° |
| C3 | C4 | N7 | 115.4° | 119.0° |
| C4 | C3 | H15 | 109.4° | 109.3° |
| C4 | C3 | H16 | 109.4° | 109.3° |
| C27 | C28 | C29 | 117.0° | 120.9° |
| C28 | C27 | H22 | 119.8° | 120.2° |
| C27 | C28 | H23 | 121.5° | 119.5° |
| C4 | C5 | C10 | 117.6° | 118.7° |
| C5 | C4 | N7 | 120.6° | 119.1° |
| C5 | C10 | N11 | 122.9° | 120.5° |
| C5 | C10 | N9 | 121.8° | 119.0° |
| C4 | N7 | C8 | 116.4° | 121.1° |
| C10 | N11 | C12 | 115.8° | 111.0° |
| C10 | N11 | C16 | 117.7° | 111.0° |
| N11 | C10 | N9 | 115.3° | 120.5° |
| C12 | N11 | C16 | 119.6° | 111.3° |
| N11 | C12 | C13 | 105.3° | 109.3° |
| N11 | C12 | H4 | 110.5° | 109.5° |
| N11 | C12 | H5 | 110.5° | 109.6° |
| N11 | C16 | C15 | 110.6° | 109.3° |
| N11 | C16 | H6 | 109.2° | 109.5° |
| N11 | C16 | H7 | 109.2° | 109.5° |
| C10 | N9 | C8 | 115.5° | 120.5° |
| C12 | C13 | N14 | 111.1° | 108.5° |
| C12 | C13 | H2 | 109.1° | 109.6° |
| C12 | C13 | H3 | 109.1° | 109.6° |
| C13 | C12 | H4 | 110.5° | 109.4° |
| C13 | C12 | H5 | 110.5° | 109.5° |
| C13 | N14 | C15 | 117.6° | 118.2° |
| C13 | N14 | C23 | 122.4° | 120.9° |
| N14 | C13 | H2 | 109.1° | 109.6° |
| N14 | C13 | H3 | 109.1° | 109.7° |
| N7 | C8 | N9 | 127.9° | 121.7° |
| N7 | C8 | O32 | 111.9° | 119.2° |
| C36 | N35 | C37 | 110.3° | 111.0° |
| C36 | N35 | C34 | 112.3° | 111.0° |
| N35 | C36 | H31 | 109.5° | 109.4° |
| N35 | C36 | H32 | 109.4° | 109.5° |
| N35 | C36 | H33 | 109.5° | 109.5° |
| C30 | C29 | C28 | 124.3° | 121.0° |
| C30 | C29 | H24 | 117.8° | 119.5° |
| C29 | C30 | H25 | 121.1° | 120.1° |
| C16 | C15 | N14 | 107.6° | 108.5° |
| C15 | C16 | H6 | 109.2° | 109.5° |
| C15 | C16 | H7 | 109.2° | 109.5° |
| C16 | C15 | H8 | 109.9° | 109.6° |
| C16 | C15 | H9 | 109.9° | 109.6° |
| C29 | C28 | H23 | 121.5° | 119.5° |
| C28 | C29 | H24 | 117.9° | 119.5° |
| C37 | N35 | C34 | 108.4° | 111.0° |
| N35 | C37 | H34 | 109.5° | 109.4° |
| N35 | C37 | H35 | 109.5° | 109.5° |
| N35 | C37 | H36 | 109.5° | 109.4° |
| N9 | C8 | O32 | 119.9° | 119.1° |
| N35 | C34 | C33 | 104.9° | 109.5° |
| N35 | C34 | H28 | 110.6° | 109.4° |
| N35 | C34 | H29 | 110.6° | 109.5° |
| C8 | O32 | C33 | 118.9° | 117.0° |
| C23 | C24 | C26 | 110.1° | 109.5° |
| C24 | C23 | N14 | 117.6° | 120.0° |
| C24 | C23 | O25 | 122.0° | 120.0° |
| C23 | C24 | H17 | 109.3° | 109.5° |
| C23 | C24 | H18 | 109.3° | 109.5° |
| C26 | C24 | H17 | 109.3° | 109.5° |
| C26 | C24 | H18 | 109.3° | 109.5° |
| C24 | C26 | H19 | 109.5° | 109.5° |
| C24 | C26 | H20 | 109.5° | 109.5° |
| C24 | C26 | H21 | 109.5° | 109.5° |
| C15 | N14 | C23 | 119.4° | 120.9° |
| N14 | C15 | H8 | 109.9° | 109.6° |
| N14 | C15 | H9 | 109.9° | 109.8° |
| N14 | C23 | O25 | 120.4° | 120.0° |
| O32 | C33 | C34 | 110.2° | 109.5° |
| O32 | C33 | C38 | 112.4° | 109.5° |
| O32 | C33 | H27 | 108.6° | 109.4° |
| C34 | C33 | C38 | 110.1° | 109.5° |
| C34 | C33 | H27 | 107.8° | 109.5° |
| C33 | C34 | H28 | 110.6° | 109.5° |
| C33 | C34 | H29 | 110.6° | 109.5° |
| C38 | C33 | H27 | 107.6° | 109.4° |
| C33 | C38 | H37 | 109.5° | 109.5° |
| C33 | C38 | H38 | 109.5° | 109.4° |
| C33 | C38 | H39 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.7° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.7° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.8° |
| H15 | C3 | H16 | 109.5° | 109.2° |
| H17 | C24 | H18 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.4° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.4° |
| H28 | C34 | H29 | 109.4° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.4° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.4° | 109.5° |
| H34 | C37 | H36 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H37 | C38 | H39 | 109.4° | 109.5° |
| H38 | C38 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C19 | C18 | C20 | 179.9° | 180.0° |
| O31 | C19 | C18 | C17 | 179.5° | 180.0° |
| O31 | C19 | C20 | C21 | 178.3° | 179.5° |
| O31 | C19 | C18 | H1 | 0.5° | 0.2° |
| O31 | C19 | C20 | H14 | 1.7° | 0.0° |
| C19 | C18 | C17 | H1 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 1.6° | 0.6° |
| C19 | C18 | C17 | N2 | 177.8° | 179.8° |
| C19 | C18 | C17 | C22 | 2.4° | 0.3° |
| C18 | C19 | C20 | H14 | 178.4° | 180.0° |
| C18 | C19 | O31 | H26 | 180.0° | 90.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C19 | C20 | C21 | H14 | 180.0° | 179.5° |
| C19 | C20 | C21 | C22 | 2.0° | 0.8° |
| C19 | C20 | C21 | C27 | 178.4° | 180.0° |
| C20 | C19 | C18 | H1 | 179.4° | 179.7° |
| C20 | C19 | O31 | H26 | 0.1° | 90.0° |
| C18 | C17 | N2 | C1 | 20.3° | 59.2° |
| C18 | C17 | N2 | C22 | 179.8° | 179.9° |
| C18 | C17 | C22 | C21 | 2.0° | 0.0° |
| C18 | C17 | N2 | C3 | 102.4° | 64.0° |
| C18 | C17 | C22 | C30 | 178.3° | 180.0° |
| C20 | C21 | C22 | C17 | 0.2° | 0.5° |
| C20 | C21 | C22 | C27 | 179.6° | 179.2° |
| C20 | C21 | C22 | C30 | 179.5° | 179.4° |
| C20 | C21 | C27 | C28 | 178.5° | 180.0° |
| C20 | C21 | C27 | H22 | 1.5° | 0.0° |
| N2 | C1 | C6 | H12 | 119.2° | 119.7° |
| N2 | C1 | C6 | H13 | 119.2° | 119.7° |
| C1 | N2 | C17 | C3 | 122.7° | 123.1° |
| C1 | N2 | C17 | C22 | 159.5° | 120.8° |
| N2 | C1 | C6 | C5 | 57.4° | 50.2° |
| C1 | N2 | C3 | C4 | 50.5° | 52.5° |
| N2 | C1 | C6 | H10 | 62.5° | 170.3° |
| N2 | C1 | C6 | H11 | 177.2° | 69.9° |
| N2 | C1 | H12 | H13 | 122.3° | 120.5° |
| C1 | N2 | C3 | H15 | 69.6° | 67.8° |
| C1 | N2 | C3 | H16 | 170.6° | 172.8° |
| C6 | C1 | N2 | C17 | 161.4° | 165.5° |
| C6 | C1 | N2 | C3 | 76.5° | 71.0° |
| C1 | C6 | C5 | H10 | 119.9° | 120.1° |
| C1 | C6 | C5 | H11 | 119.8° | 120.1° |
| C1 | C6 | C5 | C4 | 20.0° | 17.0° |
| C1 | C6 | C5 | C10 | 152.4° | 163.2° |
| C1 | C6 | H10 | H11 | 120.5° | 119.8° |
| C6 | C1 | H12 | H13 | 122.3° | 120.5° |
| N2 | C17 | C22 | C21 | 178.2° | 179.9° |
| N2 | C17 | C22 | C30 | 1.5° | 0.1° |
| C17 | N2 | C3 | C4 | 176.1° | 176.0° |
| N2 | C17 | C18 | H1 | 2.3° | 0.1° |
| C17 | N2 | C1 | H12 | 42.2° | 45.8° |
| C17 | N2 | C1 | H13 | 79.4° | 74.8° |
| C17 | N2 | C3 | H15 | 56.1° | 55.7° |
| C17 | N2 | C3 | H16 | 63.8° | 63.7° |
| C17 | C22 | C21 | C30 | 179.7° | 180.0° |
| C17 | C22 | C21 | C27 | 179.9° | 179.7° |
| C22 | C17 | N2 | C3 | 77.7° | 116.1° |
| C17 | C22 | C30 | C29 | 176.5° | 178.9° |
| C22 | C17 | C18 | H1 | 177.6° | 180.0° |
| C17 | C22 | C30 | H25 | 3.5° | 0.1° |
| C22 | C21 | C27 | C28 | 1.9° | 0.8° |
| C21 | C22 | C30 | C29 | 3.8° | 1.1° |
| C22 | C21 | C20 | H14 | 178.0° | 179.7° |
| C22 | C21 | C27 | H22 | 178.1° | 179.2° |
| C21 | C22 | C30 | H25 | 176.2° | 180.0° |
| C27 | C21 | C22 | C30 | 0.2° | 0.2° |
| C21 | C27 | C28 | H22 | 180.0° | 179.9° |
| C21 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C21 | C20 | H14 | 1.6° | 0.5° |
| C21 | C27 | C28 | H23 | 179.8° | 180.0° |
| N2 | C3 | C4 | H15 | 120.1° | 120.3° |
| N2 | C3 | C4 | H16 | 120.1° | 120.3° |
| N2 | C3 | C4 | C5 | 9.7° | 17.7° |
| N2 | C3 | C4 | N7 | 173.8° | 162.5° |
| C3 | N2 | C1 | H12 | 164.3° | 169.3° |
| C3 | N2 | C1 | H13 | 42.7° | 48.7° |
| N2 | C3 | H15 | H16 | 119.8° | 119.5° |
| C6 | C5 | C4 | C3 | 5.0° | 0.8° |
| C6 | C5 | C4 | C10 | 172.8° | 179.8° |
| C6 | C5 | C4 | N7 | 171.3° | 179.5° |
| C6 | C5 | C10 | N11 | 7.7° | 0.1° |
| C6 | C5 | C10 | N9 | 171.0° | 179.6° |
| C5 | C6 | H10 | H11 | 120.4° | 119.8° |
| C5 | C6 | C1 | H12 | 176.6° | 169.8° |
| C5 | C6 | C1 | H13 | 61.9° | 69.5° |
| C22 | C30 | C29 | H25 | 180.0° | 178.9° |
| C22 | C30 | C29 | C28 | 5.7° | 1.9° |
| C22 | C30 | C29 | H24 | 174.3° | 179.5° |
| C3 | C4 | C5 | N7 | 176.3° | 179.8° |
| C3 | C4 | C5 | C10 | 177.7° | 179.5° |
| C3 | C4 | N7 | C8 | 179.3° | 179.5° |
| C4 | C3 | H15 | H16 | 119.8° | 119.6° |
| C27 | C28 | C29 | C30 | 3.7° | 1.4° |
| C27 | C28 | C29 | H23 | 180.0° | 180.0° |
| C27 | C28 | C29 | H24 | 176.3° | 180.0° |
| C4 | C5 | C10 | N11 | 179.7° | 179.9° |
| C4 | C5 | C10 | N9 | 1.5° | 0.2° |
| C5 | C4 | N7 | C8 | 2.7° | 0.2° |
| C4 | C5 | C6 | H10 | 99.9° | 137.1° |
| C4 | C5 | C6 | H11 | 139.8° | 103.1° |
| C5 | C4 | C3 | H15 | 110.4° | 102.5° |
| C5 | C4 | C3 | H16 | 129.8° | 138.0° |
| C10 | C5 | C4 | N7 | 1.5° | 0.3° |
| C5 | C10 | N11 | N9 | 178.8° | 179.7° |
| C5 | C10 | N11 | C12 | 164.4° | 118.3° |
| C5 | C10 | N11 | C16 | 44.8° | 117.4° |
| C5 | C10 | N9 | C8 | 2.8° | 0.0° |
| C10 | C5 | C6 | H10 | 87.7° | 43.2° |
| C10 | C5 | C6 | H11 | 32.6° | 76.7° |
| C4 | N7 | C8 | N9 | 4.5° | 0.1° |
| C4 | N7 | C8 | O32 | 178.5° | 180.0° |
| N7 | C4 | C3 | H15 | 66.1° | 77.2° |
| N7 | C4 | C3 | H16 | 53.8° | 42.3° |
| C10 | N11 | C12 | C16 | 150.2° | 124.2° |
| C10 | N11 | C12 | C13 | 174.4° | 172.7° |
| C10 | N11 | C16 | C15 | 126.1° | 172.7° |
| N11 | C10 | N9 | C8 | 178.4° | 179.7° |
| C10 | N11 | C12 | H4 | 55.1° | 67.4° |
| C10 | N11 | C12 | H5 | 66.2° | 52.8° |
| C10 | N11 | C16 | H6 | 5.9° | 52.8° |
| C10 | N11 | C16 | H7 | 113.7° | 67.3° |
| C12 | N11 | C10 | N9 | 14.4° | 62.0° |
| N11 | C12 | C13 | H4 | 119.3° | 119.9° |
| N11 | C12 | C13 | H5 | 119.4° | 120.0° |
| N11 | C12 | C13 | N14 | 60.9° | 53.8° |
| C12 | N11 | C16 | C15 | 23.5° | 63.1° |
| N11 | C12 | C13 | H2 | 59.3° | 65.9° |
| N11 | C12 | C13 | H3 | 178.8° | 173.6° |
| N11 | C12 | H4 | H5 | 121.9° | 120.2° |
| C12 | N11 | C16 | H6 | 143.7° | 176.9° |
| C12 | N11 | C16 | H7 | 96.6° | 56.9° |
| C16 | N11 | C10 | N9 | 136.4° | 62.3° |
| C16 | N11 | C12 | C13 | 35.4° | 63.1° |
| N11 | C16 | C15 | H6 | 120.2° | 120.0° |
| N11 | C16 | C15 | H7 | 120.2° | 120.0° |
| N11 | C16 | C15 | N14 | 57.7° | 53.9° |
| C16 | N11 | C12 | H4 | 154.7° | 56.8° |
| C16 | N11 | C12 | H5 | 84.0° | 176.9° |
| N11 | C16 | H6 | H7 | 119.5° | 120.1° |
| N11 | C16 | C15 | H8 | 62.0° | 173.5° |
| N11 | C16 | C15 | H9 | 177.4° | 66.1° |
| C10 | N9 | C8 | N7 | 4.5° | 0.0° |
| C10 | N9 | C8 | O32 | 178.1° | 179.9° |
| C12 | C13 | N14 | H2 | 120.2° | 119.7° |
| C12 | C13 | N14 | H3 | 120.2° | 119.7° |
| C12 | C13 | N14 | C15 | 27.6° | 51.2° |
| C12 | C13 | N14 | C23 | 143.8° | 128.9° |
| C12 | C13 | H2 | H3 | 119.3° | 120.5° |
| C13 | C12 | H4 | H5 | 121.9° | 120.0° |
| C13 | N14 | C15 | C16 | 32.2° | 51.2° |
| C13 | N14 | C23 | C24 | 19.1° | 180.0° |
| C13 | N14 | C15 | C23 | 171.6° | 179.9° |
| C13 | N14 | C23 | O25 | 162.9° | 0.0° |
| N14 | C13 | H2 | H3 | 119.3° | 120.5° |
| N14 | C13 | C12 | H4 | 179.7° | 66.1° |
| N14 | C13 | C12 | H5 | 58.4° | 173.8° |
| C13 | N14 | C15 | H8 | 87.5° | 170.9° |
| C13 | N14 | C15 | H9 | 151.9° | 68.6° |
| N7 | C8 | N9 | O32 | 173.6° | 179.9° |
| N7 | C8 | O32 | C33 | 171.7° | 0.1° |
| C36 | N35 | C37 | C34 | 123.4° | 124.0° |
| C36 | N35 | C34 | C33 | 107.5° | 170.0° |
| C36 | N35 | C34 | H28 | 11.8° | 50.0° |
| C36 | N35 | C34 | H29 | 133.2° | 70.0° |
| N35 | C36 | H31 | H32 | 120.0° | 120.0° |
| N35 | C36 | H31 | H33 | 120.0° | 120.0° |
| N35 | C36 | H32 | H33 | 120.0° | 120.1° |
| C36 | N35 | C37 | H34 | 180.0° | 176.1° |
| C36 | N35 | C37 | H35 | 60.0° | 56.0° |
| C36 | N35 | C37 | H36 | 60.0° | 64.0° |
| C30 | C29 | C28 | H24 | 180.0° | 178.6° |
| C30 | C29 | C28 | H23 | 176.3° | 178.6° |
| C16 | C15 | N14 | H8 | 119.7° | 119.6° |
| C16 | C15 | N14 | H9 | 119.7° | 119.8° |
| C16 | C15 | N14 | C23 | 156.1° | 128.8° |
| C15 | C16 | H6 | H7 | 119.5° | 120.0° |
| C16 | C15 | H8 | H9 | 120.9° | 120.4° |
| C29 | C28 | C27 | H22 | 179.8° | 180.0° |
| C28 | C29 | C30 | H25 | 174.3° | 179.2° |
| C37 | N35 | C34 | C33 | 130.3° | 66.1° |
| C37 | N35 | C34 | H28 | 110.4° | 173.9° |
| C37 | N35 | C34 | H29 | 11.0° | 54.0° |
| C37 | N35 | C36 | H31 | 180.0° | 64.0° |
| C37 | N35 | C36 | H32 | 60.0° | 56.0° |
| C37 | N35 | C36 | H33 | 60.0° | 176.0° |
| N35 | C37 | H34 | H35 | 120.0° | 120.0° |
| N35 | C37 | H34 | H36 | 120.0° | 119.9° |
| N35 | C37 | H35 | H36 | 120.0° | 120.0° |
| N9 | C8 | O32 | C33 | 13.7° | 180.0° |
| N35 | C34 | C33 | O32 | 57.3° | 60.0° |
| N35 | C34 | C33 | H28 | 119.3° | 120.0° |
| N35 | C34 | C33 | H29 | 119.3° | 120.0° |
| N35 | C34 | C33 | C38 | 178.2° | 180.0° |
| N35 | C34 | C33 | H27 | 61.1° | 60.0° |
| N35 | C34 | H28 | H29 | 122.1° | 120.0° |
| C34 | N35 | C36 | H31 | 58.9° | 60.0° |
| C34 | N35 | C36 | H32 | 178.9° | 180.0° |
| C34 | N35 | C36 | H33 | 61.1° | 60.0° |
| C34 | N35 | C37 | H34 | 56.6° | 60.0° |
| C34 | N35 | C37 | H35 | 63.3° | 180.0° |
| C34 | N35 | C37 | H36 | 176.6° | 60.0° |
| C8 | O32 | C33 | C34 | 166.1° | 150.0° |
| C8 | O32 | C33 | C38 | 70.7° | 89.9° |
| C8 | O32 | C33 | H27 | 48.2° | 30.0° |
| C23 | C24 | C26 | H17 | 120.1° | 120.1° |
| C23 | C24 | C26 | H18 | 120.1° | 120.0° |
| C24 | C23 | N14 | C15 | 169.7° | 0.1° |
| C24 | C23 | N14 | O25 | 178.0° | 180.0° |
| C23 | C24 | H17 | H18 | 119.7° | 120.0° |
| C23 | C24 | C26 | H19 | 180.0° | 180.0° |
| C23 | C24 | C26 | H20 | 60.0° | 59.9° |
| C23 | C24 | C26 | H21 | 60.0° | 60.0° |
| C26 | C24 | C23 | N14 | 114.7° | 180.0° |
| C26 | C24 | C23 | O25 | 67.4° | 0.0° |
| C26 | C24 | H17 | H18 | 119.7° | 120.0° |
| C24 | C26 | H19 | H20 | 120.0° | 120.1° |
| C24 | C26 | H19 | H21 | 120.0° | 120.0° |
| C24 | C26 | H20 | H21 | 120.0° | 120.0° |
| C15 | N14 | C23 | O25 | 8.3° | 179.9° |
| C15 | N14 | C13 | H2 | 92.6° | 68.5° |
| C15 | N14 | C13 | H3 | 147.8° | 170.9° |
| N14 | C15 | C16 | H6 | 177.9° | 173.9° |
| N14 | C15 | C16 | H7 | 62.4° | 66.1° |
| N14 | C15 | H8 | H9 | 120.9° | 120.7° |
| C23 | N14 | C13 | H2 | 96.0° | 111.4° |
| C23 | N14 | C13 | H3 | 23.6° | 9.1° |
| C23 | N14 | C15 | H8 | 84.2° | 9.2° |
| C23 | N14 | C15 | H9 | 36.4° | 111.3° |
| N14 | C23 | C24 | H17 | 125.2° | 59.9° |
| N14 | C23 | C24 | H18 | 5.4° | 60.0° |
| O32 | C33 | C34 | C38 | 124.5° | 120.0° |
| O32 | C33 | C34 | H27 | 118.4° | 120.0° |
| O32 | C33 | C38 | H27 | 119.5° | 119.9° |
| O32 | C33 | C34 | H28 | 176.6° | 60.0° |
| O32 | C33 | C34 | H29 | 62.0° | 180.0° |
| O32 | C33 | C38 | H37 | 180.0° | 180.0° |
| O32 | C33 | C38 | H38 | 60.0° | 60.1° |
| O32 | C33 | C38 | H39 | 60.0° | 59.9° |
| O25 | C23 | C24 | H17 | 52.7° | 120.1° |
| O25 | C23 | C24 | H18 | 172.6° | 120.0° |
| C34 | C33 | C38 | H27 | 117.2° | 120.0° |
| C33 | C34 | H28 | H29 | 122.1° | 120.0° |
| C34 | C33 | C38 | H37 | 56.8° | 60.0° |
| C34 | C33 | C38 | H38 | 63.3° | 60.0° |
| C34 | C33 | C38 | H39 | 176.7° | 180.0° |
| C38 | C33 | C34 | H28 | 58.9° | 60.0° |
| C38 | C33 | C34 | H29 | 62.5° | 60.0° |
| C33 | C38 | H37 | H38 | 120.0° | 120.0° |
| C33 | C38 | H37 | H39 | 120.0° | 120.0° |
| C33 | C38 | H38 | H39 | 120.0° | 120.0° |
| H2 | C13 | C12 | H4 | 60.0° | 174.2° |
| H2 | C13 | C12 | H5 | 178.6° | 54.1° |
| H3 | C13 | C12 | H4 | 59.5° | 53.6° |
| H3 | C13 | C12 | H5 | 61.8° | 66.4° |
| H6 | C16 | C15 | H8 | 58.2° | 66.5° |
| H6 | C16 | C15 | H9 | 62.4° | 53.9° |
| H7 | C16 | C15 | H8 | 177.9° | 53.5° |
| H7 | C16 | C15 | H9 | 57.3° | 173.9° |
| H10 | C6 | C1 | H12 | 56.7° | 70.1° |
| H10 | C6 | C1 | H13 | 178.3° | 50.6° |
| H11 | C6 | C1 | H12 | 63.6° | 49.7° |
| H11 | C6 | C1 | H13 | 58.0° | 170.3° |
| H17 | C24 | C26 | H19 | 59.9° | 59.9° |
| H17 | C24 | C26 | H20 | 179.9° | 180.0° |
| H17 | C24 | C26 | H21 | 60.1° | 60.1° |
| H18 | C24 | C26 | H19 | 59.9° | 60.0° |
| H18 | C24 | C26 | H20 | 60.1° | 60.1° |
| H18 | C24 | C26 | H21 | 179.9° | 180.0° |
| H19 | C26 | H20 | H21 | 120.0° | 119.9° |
| H22 | C27 | C28 | H23 | 0.2° | 0.0° |
| H23 | C28 | C29 | H24 | 3.7° | 0.0° |
| H24 | C29 | C30 | H25 | 5.7° | 0.6° |
| H27 | C33 | C34 | H28 | 58.2° | 180.0° |
| H27 | C33 | C34 | H29 | 179.6° | 60.0° |
| H27 | C33 | C38 | H37 | 60.4° | 60.0° |
| H27 | C33 | C38 | H38 | 179.5° | 180.0° |
| H27 | C33 | C38 | H39 | 59.5° | 60.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
| H34 | C37 | H35 | H36 | 120.0° | 120.1° |
| H37 | C38 | H38 | H39 | 120.0° | 120.0° |
