M1X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.36Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.42Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.40Å | Aromatic |
| C20 | N9 | sing | 1.39Å | 1.44Å | |
| C29 | CL1 | sing | 1.74Å | 1.75Å | |
| N9 | C8 | sing | 1.47Å | 1.49Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C10 | C2 | sing | 1.50Å | 1.52Å | |
| C7 | C1 | sing | 1.50Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | N11 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.54Å | 1.49Å | |
| N41 | C40 | trip | 1.14Å | 1.16Å | |
| C6 | N11 | sing | 1.39Å | 1.45Å | |
| C6 | N5 | doub | 1.33Å | 1.33Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| C40 | C38 | sing | 1.47Å | 1.49Å | |
| C4 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | O30 | sing | 1.35Å | 1.37Å | |
| C15 | C38 | sing | 1.53Å | 1.52Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O30 | C31 | sing | 1.43Å | 1.40Å | |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| N14 | C17 | sing | 1.35Å | 1.35Å | |
| O18 | C17 | doub | 1.21Å | 1.23Å | |
| C17 | C19 | sing | 1.51Å | 1.53Å | |
| C34 | N33 | sing | 1.48Å | 1.53Å | |
| C34 | C35 | sing | 1.55Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| F42 | C19 | sing | 1.40Å | 1.36Å | |
| N33 | C32 | sing | 1.47Å | 1.51Å | |
| N33 | C37 | sing | 1.47Å | 1.52Å | |
| C19 | C39 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.55Å | 1.53Å | |
| C36 | C32 | sing | 1.54Å | 1.55Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.8° | 119.9° |
| C23 | C22 | C21 | 119.1° | 121.1° |
| C23 | C22 | H12 | 120.4° | 119.4° |
| C22 | C23 | H17 | 119.6° | 120.0° |
| C23 | C24 | C26 | 118.5° | 121.2° |
| C23 | C24 | C25 | 120.7° | 119.5° |
| C24 | C23 | H17 | 119.6° | 120.1° |
| C24 | C26 | C27 | 121.5° | 119.7° |
| C26 | C24 | C25 | 120.8° | 119.3° |
| C24 | C26 | H18 | 119.2° | 120.1° |
| C26 | C27 | C28 | 118.7° | 121.0° |
| C27 | C26 | H18 | 119.3° | 120.1° |
| C26 | C27 | H19 | 120.6° | 119.5° |
| C22 | C21 | C20 | 119.9° | 120.7° |
| C21 | C22 | H12 | 120.5° | 119.4° |
| C22 | C21 | H16 | 120.1° | 119.7° |
| C24 | C25 | C20 | 117.8° | 119.3° |
| C24 | C25 | C29 | 117.1° | 119.4° |
| C27 | C28 | C29 | 120.3° | 120.9° |
| C28 | C27 | H19 | 120.6° | 119.5° |
| C27 | C28 | H20 | 119.9° | 119.5° |
| C21 | C20 | C25 | 121.7° | 119.4° |
| C21 | C20 | N9 | 117.4° | 120.3° |
| C20 | C21 | H16 | 120.0° | 119.6° |
| C20 | C25 | C29 | 125.1° | 121.2° |
| C25 | C20 | N9 | 120.9° | 120.3° |
| C25 | C29 | C28 | 121.6° | 119.7° |
| C25 | C29 | CL1 | 124.5° | 120.2° |
| C28 | C29 | CL1 | 113.9° | 120.1° |
| C29 | C28 | H20 | 119.8° | 119.6° |
| C20 | N9 | C8 | 118.9° | 111.0° |
| C20 | N9 | C10 | 106.6° | 111.0° |
| C8 | N9 | C10 | 115.8° | 110.3° |
| N9 | C8 | C7 | 106.6° | 108.5° |
| N9 | C8 | H10 | 110.2° | 109.7° |
| N9 | C8 | H11 | 110.2° | 109.7° |
| N9 | C10 | C2 | 109.9° | 110.5° |
| N9 | C10 | H8 | 109.4° | 109.3° |
| N9 | C10 | H9 | 109.4° | 109.2° |
| C8 | C7 | C1 | 105.7° | 109.9° |
| C7 | C8 | H10 | 110.2° | 109.7° |
| C7 | C8 | H11 | 110.2° | 109.6° |
| C8 | C7 | H13 | 110.4° | 109.4° |
| C8 | C7 | H14 | 110.4° | 109.4° |
| C10 | C2 | C1 | 120.1° | 121.8° |
| C10 | C2 | N3 | 117.9° | 119.1° |
| C2 | C10 | H8 | 109.4° | 109.3° |
| C2 | C10 | H9 | 109.4° | 109.3° |
| C7 | C1 | C2 | 124.1° | 122.0° |
| C7 | C1 | C6 | 120.2° | 119.4° |
| C1 | C7 | H13 | 110.4° | 109.4° |
| C1 | C7 | H14 | 110.4° | 109.4° |
| C1 | C2 | N3 | 122.0° | 119.1° |
| C2 | C1 | C6 | 115.7° | 118.6° |
| C2 | N3 | C4 | 117.7° | 121.1° |
| C1 | C6 | N11 | 123.3° | 120.5° |
| C1 | C6 | N5 | 120.8° | 119.0° |
| N3 | C4 | N5 | 123.0° | 121.7° |
| N3 | C4 | O30 | 119.7° | 119.2° |
| N11 | C16 | C15 | 111.5° | 109.4° |
| C16 | N11 | C6 | 111.3° | 111.0° |
| C16 | N11 | C12 | 119.3° | 111.3° |
| N11 | C16 | H5 | 108.9° | 109.5° |
| N11 | C16 | H6 | 109.0° | 109.5° |
| C16 | C15 | C38 | 105.9° | 109.6° |
| C16 | C15 | N14 | 114.6° | 108.4° |
| C15 | C16 | H5 | 108.9° | 109.6° |
| C15 | C16 | H6 | 108.9° | 109.4° |
| C16 | C15 | H7 | 108.7° | 109.6° |
| N41 | C40 | C38 | 174.3° | 179.9° |
| N11 | C6 | N5 | 115.9° | 120.5° |
| C6 | N11 | C12 | 112.2° | 111.0° |
| C6 | N5 | C4 | 120.8° | 120.5° |
| N11 | C12 | C13 | 108.0° | 109.3° |
| N11 | C12 | H3 | 109.8° | 109.4° |
| N11 | C12 | H4 | 109.8° | 109.5° |
| C40 | C38 | C15 | 105.2° | 109.5° |
| C40 | C38 | H34 | 110.5° | 109.4° |
| C40 | C38 | H35 | 110.5° | 109.5° |
| N5 | C4 | O30 | 117.3° | 119.1° |
| C4 | O30 | C31 | 121.6° | 117.0° |
| C38 | C15 | N14 | 110.0° | 109.8° |
| C38 | C15 | H7 | 108.3° | 109.6° |
| C15 | C38 | H34 | 110.5° | 109.5° |
| C15 | C38 | H35 | 110.5° | 109.5° |
| C15 | N14 | C13 | 118.2° | 118.2° |
| C15 | N14 | C17 | 114.5° | 120.9° |
| N14 | C15 | H7 | 109.1° | 109.7° |
| C12 | C13 | N14 | 108.7° | 108.7° |
| C12 | C13 | H1 | 109.7° | 109.7° |
| C12 | C13 | H2 | 109.7° | 109.7° |
| C13 | C12 | H3 | 109.8° | 109.5° |
| C13 | C12 | H4 | 109.8° | 109.5° |
| O30 | C31 | C32 | 109.4° | 109.5° |
| O30 | C31 | H21 | 109.5° | 109.4° |
| O30 | C31 | H22 | 109.5° | 109.5° |
| C13 | N14 | C17 | 126.8° | 120.9° |
| N14 | C13 | H1 | 109.7° | 109.6° |
| N14 | C13 | H2 | 109.7° | 109.6° |
| N14 | C17 | O18 | 117.7° | 120.0° |
| N14 | C17 | C19 | 121.7° | 120.0° |
| O18 | C17 | C19 | 119.4° | 120.0° |
| C17 | C19 | F42 | 111.3° | 109.5° |
| C17 | C19 | C39 | 110.6° | 109.4° |
| C17 | C19 | H15 | 107.0° | 109.5° |
| N33 | C34 | C35 | 104.1° | 104.8° |
| C34 | N33 | C32 | 110.5° | 108.6° |
| C34 | N33 | C37 | 109.2° | 111.0° |
| N33 | C34 | H25 | 110.8° | 110.4° |
| N33 | C34 | H26 | 110.8° | 110.3° |
| C34 | C35 | C36 | 103.8° | 101.7° |
| C35 | C34 | H25 | 110.8° | 110.4° |
| C35 | C34 | H26 | 110.8° | 110.4° |
| C34 | C35 | H27 | 110.9° | 111.0° |
| C34 | C35 | H28 | 110.8° | 111.0° |
| C31 | C32 | N33 | 107.0° | 109.9° |
| C31 | C32 | C36 | 112.3° | 109.9° |
| C32 | C31 | H21 | 109.5° | 109.5° |
| C32 | C31 | H22 | 109.5° | 109.5° |
| C31 | C32 | H23 | 111.4° | 109.9° |
| F42 | C19 | C39 | 111.6° | 109.5° |
| F42 | C19 | H15 | 109.3° | 109.5° |
| C32 | N33 | C37 | 108.1° | 111.0° |
| N33 | C32 | C36 | 102.3° | 107.4° |
| N33 | C32 | H23 | 112.0° | 109.9° |
| N33 | C37 | H31 | 109.5° | 109.4° |
| N33 | C37 | H32 | 109.5° | 109.5° |
| N33 | C37 | H33 | 109.5° | 109.5° |
| C39 | C19 | H15 | 106.9° | 109.5° |
| C19 | C39 | H36 | 109.5° | 109.5° |
| C19 | C39 | H37 | 109.4° | 109.4° |
| C19 | C39 | H38 | 109.5° | 109.5° |
| C35 | C36 | C32 | 110.6° | 102.9° |
| C36 | C35 | H27 | 110.9° | 110.8° |
| C36 | C35 | H28 | 110.9° | 111.1° |
| C35 | C36 | H29 | 109.2° | 110.7° |
| C35 | C36 | H30 | 109.2° | 110.7° |
| C36 | C32 | H23 | 111.5° | 109.9° |
| C32 | C36 | H29 | 109.2° | 110.6° |
| C32 | C36 | H30 | 109.2° | 110.9° |
| H1 | C13 | H2 | 109.5° | 109.6° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.3° |
| H10 | C8 | H11 | 109.5° | 109.6° |
| H13 | C7 | H14 | 109.5° | 109.3° |
| H21 | C31 | H22 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.5° | 110.5° |
| H27 | C35 | H28 | 109.5° | 110.9° |
| H29 | C36 | H30 | 109.5° | 110.8° |
| H31 | C37 | H32 | 109.5° | 109.5° |
| H31 | C37 | H33 | 109.5° | 109.4° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.5° | 109.5° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H36 | C39 | H38 | 109.4° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H17 | 180.0° | 179.9° |
| C22 | C23 | C24 | C26 | 179.6° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C21 | C20 | 1.2° | 0.2° |
| C23 | C22 | C21 | H16 | 178.8° | 179.8° |
| C23 | C24 | C26 | C25 | 179.7° | 179.9° |
| C23 | C24 | C26 | C27 | 179.5° | 180.0° |
| C24 | C23 | C22 | C21 | 0.7° | 0.1° |
| C23 | C24 | C25 | C20 | 0.1° | 0.2° |
| C23 | C24 | C25 | C29 | 179.9° | 180.0° |
| C24 | C23 | C22 | H12 | 179.3° | 179.7° |
| C23 | C24 | C26 | H18 | 0.6° | 0.1° |
| C24 | C26 | C27 | H18 | 180.0° | 179.9° |
| C24 | C26 | C27 | C28 | 0.6° | 0.0° |
| C26 | C24 | C25 | C20 | 179.6° | 179.7° |
| C26 | C24 | C25 | C29 | 0.4° | 0.0° |
| C26 | C24 | C23 | H17 | 0.4° | 0.1° |
| C24 | C26 | C27 | H19 | 179.5° | 180.0° |
| C27 | C26 | C24 | C25 | 0.8° | 0.1° |
| C26 | C27 | C28 | H19 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.1° |
| C26 | C27 | C28 | H20 | 179.9° | 180.0° |
| C22 | C21 | C20 | H16 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 1.2° | 0.5° |
| C22 | C21 | C20 | N9 | 179.2° | 180.0° |
| C21 | C22 | C23 | H17 | 179.3° | 180.0° |
| C24 | C25 | C20 | C21 | 0.7° | 0.5° |
| C24 | C25 | C20 | C29 | 180.0° | 179.7° |
| C24 | C25 | C29 | C28 | 0.3° | 0.1° |
| C24 | C25 | C20 | N9 | 178.5° | 180.0° |
| C24 | C25 | C29 | CL1 | 178.8° | 180.0° |
| C25 | C24 | C23 | H17 | 179.9° | 180.0° |
| C25 | C24 | C26 | H18 | 179.2° | 180.0° |
| C27 | C28 | C29 | C25 | 0.6° | 0.1° |
| C27 | C28 | C29 | H20 | 180.0° | 179.8° |
| C27 | C28 | C29 | CL1 | 178.6° | 179.9° |
| C28 | C27 | C26 | H18 | 179.4° | 179.9° |
| C21 | C20 | C25 | N9 | 177.9° | 179.5° |
| C21 | C20 | C25 | C29 | 179.4° | 179.8° |
| C21 | C20 | N9 | C8 | 40.8° | 59.9° |
| C21 | C20 | N9 | C10 | 92.3° | 63.1° |
| C20 | C21 | C22 | H12 | 178.8° | 180.0° |
| C20 | C25 | C29 | C28 | 179.7° | 179.8° |
| C20 | C25 | C29 | CL1 | 1.2° | 0.3° |
| C25 | C20 | N9 | C8 | 141.3° | 120.5° |
| C25 | C20 | N9 | C10 | 85.7° | 116.4° |
| C25 | C20 | C21 | H16 | 178.7° | 179.6° |
| C25 | C29 | C28 | CL1 | 179.2° | 179.9° |
| C29 | C25 | C20 | N9 | 1.5° | 0.3° |
| C25 | C29 | C28 | H20 | 179.4° | 180.0° |
| C29 | C28 | C27 | H19 | 179.9° | 179.9° |
| C20 | N9 | C8 | C10 | 128.9° | 123.5° |
| C20 | N9 | C8 | C7 | 159.1° | 165.4° |
| C20 | N9 | C10 | C2 | 176.0° | 175.9° |
| C20 | N9 | C10 | H8 | 55.9° | 63.8° |
| C20 | N9 | C10 | H9 | 63.9° | 55.6° |
| C20 | N9 | C8 | H10 | 39.5° | 74.8° |
| C20 | N9 | C8 | H11 | 81.4° | 45.7° |
| N9 | C20 | C21 | H16 | 0.8° | 0.0° |
| CL1 | C29 | C28 | H20 | 1.4° | 0.1° |
| N9 | C8 | C7 | H10 | 119.5° | 119.8° |
| N9 | C8 | C7 | H11 | 119.5° | 119.8° |
| C8 | N9 | C10 | C2 | 41.3° | 52.4° |
| N9 | C8 | C7 | C1 | 58.2° | 50.1° |
| C8 | N9 | C10 | H8 | 78.8° | 172.6° |
| C8 | N9 | C10 | H9 | 161.4° | 67.9° |
| N9 | C8 | H10 | H11 | 121.3° | 120.5° |
| N9 | C8 | C7 | H13 | 61.2° | 70.0° |
| N9 | C8 | C7 | H14 | 177.6° | 170.2° |
| C10 | N9 | C8 | C7 | 72.0° | 71.1° |
| N9 | C10 | C2 | H8 | 120.1° | 120.3° |
| N9 | C10 | C2 | H9 | 120.1° | 120.2° |
| N9 | C10 | C2 | C1 | 4.8° | 17.3° |
| N9 | C10 | C2 | N3 | 175.0° | 162.7° |
| N9 | C10 | H8 | H9 | 119.8° | 119.4° |
| C10 | N9 | C8 | H10 | 168.4° | 48.7° |
| C10 | N9 | C8 | H11 | 47.5° | 169.2° |
| C8 | C7 | C1 | H13 | 119.4° | 120.1° |
| C8 | C7 | C1 | H14 | 119.4° | 120.1° |
| C8 | C7 | C1 | C2 | 26.9° | 16.6° |
| C8 | C7 | C1 | C6 | 151.1° | 163.3° |
| C7 | C8 | H10 | H11 | 121.4° | 120.4° |
| C8 | C7 | H13 | H14 | 121.8° | 119.8° |
| C10 | C2 | C1 | C7 | 0.6° | 0.2° |
| C10 | C2 | C1 | N3 | 179.7° | 180.0° |
| C10 | C2 | C1 | C6 | 178.7° | 179.8° |
| C10 | C2 | N3 | C4 | 178.6° | 179.9° |
| C2 | C10 | H8 | H9 | 119.8° | 119.6° |
| C7 | C1 | C2 | C6 | 178.1° | 180.0° |
| C7 | C1 | C2 | N3 | 179.7° | 179.8° |
| C7 | C1 | C6 | N11 | 1.6° | 0.2° |
| C7 | C1 | C6 | N5 | 179.7° | 179.9° |
| C1 | C7 | C8 | H10 | 177.7° | 69.7° |
| C1 | C7 | C8 | H11 | 61.4° | 170.0° |
| C1 | C7 | H13 | H14 | 121.8° | 119.8° |
| C1 | C2 | N3 | C4 | 1.7° | 0.1° |
| C2 | C1 | C6 | N11 | 179.8° | 179.8° |
| C2 | C1 | C6 | N5 | 1.5° | 0.1° |
| C1 | C2 | C10 | H8 | 115.3° | 137.6° |
| C1 | C2 | C10 | H9 | 124.8° | 102.8° |
| C2 | C1 | C7 | H13 | 92.5° | 103.5° |
| C2 | C1 | C7 | H14 | 146.3° | 136.7° |
| N3 | C2 | C1 | C6 | 1.6° | 0.2° |
| C2 | N3 | C4 | N5 | 1.7° | 0.1° |
| C2 | N3 | C4 | O30 | 176.6° | 179.9° |
| N3 | C2 | C10 | H8 | 64.9° | 42.4° |
| N3 | C2 | C10 | H9 | 54.9° | 77.2° |
| C1 | C6 | N11 | C16 | 48.7° | 124.9° |
| C1 | C6 | N11 | N5 | 178.8° | 179.9° |
| C1 | C6 | N11 | C12 | 174.7° | 110.8° |
| C1 | C6 | N5 | C4 | 1.5° | 0.1° |
| C6 | C1 | C7 | H13 | 89.5° | 76.5° |
| C6 | C1 | C7 | H14 | 31.7° | 43.3° |
| N3 | C4 | N5 | C6 | 1.6° | 0.2° |
| N3 | C4 | N5 | O30 | 178.3° | 179.9° |
| N3 | C4 | O30 | C31 | 175.9° | 0.1° |
| N11 | C16 | C15 | H5 | 120.3° | 120.1° |
| N11 | C16 | C15 | H6 | 120.3° | 119.9° |
| C16 | N11 | C6 | C12 | 136.6° | 124.3° |
| C16 | N11 | C6 | N5 | 130.0° | 55.2° |
| N11 | C16 | C15 | C38 | 76.1° | 173.5° |
| N11 | C16 | C15 | N14 | 45.3° | 53.7° |
| C16 | N11 | C12 | C13 | 42.2° | 63.1° |
| C16 | N11 | C12 | H3 | 162.0° | 56.8° |
| C16 | N11 | C12 | H4 | 77.5° | 176.9° |
| N11 | C16 | H5 | H6 | 119.1° | 120.1° |
| N11 | C16 | C15 | H7 | 167.7° | 66.1° |
| C15 | C16 | N11 | C6 | 122.4° | 172.9° |
| C15 | C16 | N11 | C12 | 10.7° | 63.0° |
| C16 | C15 | C38 | C40 | 65.9° | 163.3° |
| C16 | C15 | C38 | N14 | 124.4° | 119.0° |
| C16 | C15 | C38 | H7 | 116.5° | 120.4° |
| C16 | C15 | N14 | H7 | 122.2° | 119.7° |
| C16 | C15 | N14 | C13 | 24.6° | 51.0° |
| C16 | C15 | N14 | C17 | 162.5° | 128.8° |
| C15 | C16 | H5 | H6 | 119.0° | 120.0° |
| C16 | C15 | C38 | H34 | 53.4° | 76.7° |
| C16 | C15 | C38 | H35 | 174.8° | 43.3° |
| N41 | C40 | C38 | C15 | 126.2° | 0.3° |
| N41 | C40 | C38 | H34 | 114.5° | 119.7° |
| N41 | C40 | C38 | H35 | 6.9° | 120.3° |
| N11 | C6 | N5 | C4 | 179.7° | 180.0° |
| C6 | N11 | C12 | C13 | 175.0° | 172.8° |
| C6 | N11 | C12 | H3 | 65.2° | 67.3° |
| C6 | N11 | C12 | H4 | 55.3° | 52.8° |
| C6 | N11 | C16 | H5 | 2.1° | 52.8° |
| C6 | N11 | C16 | H6 | 117.3° | 67.3° |
| N5 | C6 | N11 | C12 | 6.5° | 69.1° |
| C6 | N5 | C4 | O30 | 176.7° | 180.0° |
| N11 | C12 | C13 | H3 | 119.8° | 119.9° |
| N11 | C12 | C13 | H4 | 119.8° | 120.0° |
| N11 | C12 | C13 | N14 | 61.5° | 53.9° |
| N11 | C12 | C13 | H1 | 58.4° | 65.9° |
| N11 | C12 | C13 | H2 | 178.6° | 173.7° |
| N11 | C12 | H3 | H4 | 120.7° | 120.1° |
| C12 | N11 | C16 | H5 | 131.0° | 176.9° |
| C12 | N11 | C16 | H6 | 109.6° | 56.8° |
| C40 | C38 | C15 | H34 | 119.3° | 120.0° |
| C40 | C38 | C15 | H35 | 119.3° | 120.0° |
| C40 | C38 | C15 | N14 | 169.7° | 77.6° |
| C40 | C38 | C15 | H7 | 50.6° | 42.9° |
| C40 | C38 | H34 | H35 | 122.0° | 120.0° |
| N5 | C4 | O30 | C31 | 5.7° | 179.9° |
| C4 | O30 | C31 | C32 | 178.1° | 180.0° |
| C4 | O30 | C31 | H21 | 61.9° | 60.1° |
| C4 | O30 | C31 | H22 | 58.1° | 59.9° |
| C38 | C15 | N14 | H7 | 118.7° | 120.5° |
| C38 | C15 | N14 | C13 | 94.5° | 170.8° |
| C38 | C15 | N14 | C17 | 78.4° | 9.1° |
| C38 | C15 | C16 | H5 | 44.2° | 66.4° |
| C38 | C15 | C16 | H6 | 163.6° | 53.6° |
| C15 | C38 | H34 | H35 | 122.0° | 120.0° |
| C15 | N14 | C13 | C12 | 29.3° | 51.3° |
| C15 | N14 | C13 | C17 | 171.9° | 179.9° |
| C15 | N14 | C17 | O18 | 4.5° | 4.2° |
| C15 | N14 | C17 | C19 | 162.9° | 175.7° |
| C15 | N14 | C13 | H1 | 90.5° | 68.6° |
| C15 | N14 | C13 | H2 | 149.3° | 171.1° |
| N14 | C15 | C16 | H5 | 165.6° | 173.7° |
| N14 | C15 | C16 | H6 | 75.0° | 66.2° |
| N14 | C15 | C38 | H34 | 71.0° | 42.3° |
| N14 | C15 | C38 | H35 | 50.4° | 162.3° |
| C12 | C13 | N14 | H1 | 119.9° | 119.8° |
| C12 | C13 | N14 | H2 | 119.9° | 119.8° |
| C12 | C13 | N14 | C17 | 142.6° | 128.6° |
| C12 | C13 | H1 | H2 | 120.4° | 120.5° |
| C13 | C12 | H3 | H4 | 120.7° | 120.1° |
| O30 | C31 | C32 | H21 | 120.0° | 120.0° |
| O30 | C31 | C32 | H22 | 120.0° | 120.1° |
| O30 | C31 | C32 | N33 | 53.9° | 66.7° |
| O30 | C31 | C32 | C36 | 57.5° | 175.3° |
| O30 | C31 | H21 | H22 | 120.0° | 120.0° |
| O30 | C31 | C32 | H23 | 176.6° | 54.4° |
| C13 | N14 | C17 | O18 | 167.7° | 175.9° |
| C13 | N14 | C17 | C19 | 24.9° | 4.1° |
| N14 | C13 | H1 | H2 | 120.3° | 120.3° |
| N14 | C13 | C12 | H3 | 178.8° | 66.0° |
| N14 | C13 | C12 | H4 | 58.3° | 173.9° |
| C13 | N14 | C15 | H7 | 146.8° | 68.7° |
| N14 | C17 | O18 | C19 | 167.7° | 180.0° |
| N14 | C17 | C19 | F42 | 11.4° | 103.6° |
| N14 | C17 | C19 | C39 | 113.3° | 136.4° |
| C17 | N14 | C13 | H1 | 97.5° | 111.6° |
| C17 | N14 | C13 | H2 | 22.7° | 8.8° |
| C17 | N14 | C15 | H7 | 40.3° | 111.4° |
| N14 | C17 | C19 | H15 | 130.7° | 16.5° |
| O18 | C17 | C19 | F42 | 155.8° | 76.4° |
| O18 | C17 | C19 | C39 | 79.6° | 43.6° |
| O18 | C17 | C19 | H15 | 36.5° | 163.6° |
| C17 | C19 | F42 | C39 | 124.1° | 120.0° |
| C17 | C19 | F42 | H15 | 117.9° | 120.0° |
| C17 | C19 | C39 | H15 | 116.1° | 120.0° |
| C17 | C19 | C39 | H36 | 180.0° | 60.0° |
| C17 | C19 | C39 | H37 | 60.0° | 180.0° |
| C17 | C19 | C39 | H38 | 60.0° | 60.0° |
| N33 | C34 | C35 | H25 | 119.1° | 118.8° |
| N33 | C34 | C35 | H26 | 119.2° | 118.8° |
| C34 | N33 | C32 | C31 | 104.0° | 118.5° |
| C34 | N33 | C32 | C37 | 119.4° | 122.2° |
| N33 | C34 | C35 | C36 | 29.1° | 36.9° |
| C34 | N33 | C32 | C36 | 14.3° | 1.0° |
| C34 | N33 | C32 | H23 | 133.8° | 120.5° |
| N33 | C34 | H25 | H26 | 122.5° | 122.3° |
| N33 | C34 | C35 | H27 | 90.0° | 81.0° |
| N33 | C34 | C35 | H28 | 148.2° | 155.2° |
| C34 | N33 | C37 | H31 | 180.0° | 179.2° |
| C34 | N33 | C37 | H32 | 60.0° | 59.2° |
| C34 | N33 | C37 | H33 | 60.0° | 60.9° |
| C35 | C34 | N33 | C32 | 28.0° | 24.1° |
| C35 | C34 | N33 | C37 | 90.7° | 98.2° |
| C34 | C35 | C36 | H27 | 119.1° | 118.1° |
| C34 | C35 | C36 | H28 | 119.1° | 118.2° |
| C34 | C35 | C36 | C32 | 21.7° | 35.5° |
| C35 | C34 | H25 | H26 | 122.5° | 122.3° |
| C34 | C35 | H27 | H28 | 122.6° | 123.9° |
| C34 | C35 | C36 | H29 | 141.9° | 82.7° |
| C34 | C35 | C36 | H30 | 98.5° | 154.0° |
| C31 | C32 | N33 | C36 | 118.2° | 119.5° |
| C31 | C32 | N33 | H23 | 122.3° | 121.0° |
| C31 | C32 | N33 | C37 | 136.6° | 119.3° |
| C31 | C32 | C36 | C35 | 119.3° | 141.6° |
| C31 | C32 | C36 | H23 | 125.8° | 121.0° |
| C32 | C31 | H21 | H22 | 120.0° | 120.0° |
| C31 | C32 | C36 | H29 | 120.5° | 23.4° |
| C31 | C32 | C36 | H30 | 0.9° | 100.0° |
| F42 | C19 | C39 | H15 | 119.4° | 120.0° |
| F42 | C19 | C39 | H36 | 55.5° | 180.0° |
| F42 | C19 | C39 | H37 | 64.5° | 60.0° |
| F42 | C19 | C39 | H38 | 175.5° | 60.0° |
| N33 | C32 | C36 | C35 | 4.9° | 22.1° |
| N33 | C32 | C36 | H23 | 119.8° | 119.5° |
| N33 | C32 | C31 | H21 | 173.9° | 53.3° |
| N33 | C32 | C31 | H22 | 66.1° | 173.2° |
| C32 | N33 | C34 | H25 | 147.1° | 142.9° |
| C32 | N33 | C34 | H26 | 91.2° | 94.8° |
| N33 | C32 | C36 | H29 | 125.1° | 96.1° |
| N33 | C32 | C36 | H30 | 115.3° | 140.5° |
| C32 | N33 | C37 | H31 | 59.8° | 60.0° |
| C32 | N33 | C37 | H32 | 179.8° | 180.0° |
| C32 | N33 | C37 | H33 | 60.2° | 59.9° |
| C37 | N33 | C32 | C36 | 105.1° | 121.2° |
| C37 | N33 | C32 | H23 | 14.4° | 1.7° |
| C37 | N33 | C34 | H25 | 28.4° | 20.7° |
| C37 | N33 | C34 | H26 | 150.1° | 143.0° |
| N33 | C37 | H31 | H32 | 120.0° | 120.0° |
| N33 | C37 | H31 | H33 | 120.0° | 120.0° |
| N33 | C37 | H32 | H33 | 120.0° | 120.1° |
| C19 | C39 | H36 | H37 | 120.0° | 119.9° |
| C19 | C39 | H36 | H38 | 120.0° | 120.0° |
| C19 | C39 | H37 | H38 | 120.0° | 120.0° |
| C35 | C36 | C32 | H29 | 120.2° | 118.2° |
| C35 | C36 | C32 | H30 | 120.2° | 118.4° |
| C35 | C36 | C32 | H23 | 114.9° | 97.4° |
| C36 | C35 | C34 | H25 | 148.2° | 155.8° |
| C36 | C35 | C34 | H26 | 90.1° | 81.8° |
| C36 | C35 | H27 | H28 | 122.7° | 123.8° |
| C35 | C36 | H29 | H30 | 119.5° | 123.2° |
| C36 | C32 | C31 | H21 | 62.5° | 64.7° |
| C36 | C32 | C31 | H22 | 177.5° | 55.3° |
| C32 | C36 | C35 | H27 | 97.4° | 82.6° |
| C32 | C36 | C35 | H28 | 140.7° | 153.7° |
| C32 | C36 | H29 | H30 | 119.5° | 123.4° |
| H1 | C13 | C12 | H3 | 61.4° | 174.2° |
| H1 | C13 | C12 | H4 | 178.2° | 54.2° |
| H2 | C13 | C12 | H3 | 58.9° | 53.8° |
| H2 | C13 | C12 | H4 | 61.6° | 66.3° |
| H5 | C16 | C15 | H7 | 72.0° | 54.0° |
| H6 | C16 | C15 | H7 | 47.4° | 174.0° |
| H7 | C15 | C38 | H34 | 169.9° | 162.9° |
| H7 | C15 | C38 | H35 | 68.7° | 77.1° |
| H10 | C8 | C7 | H13 | 58.3° | 170.2° |
| H10 | C8 | C7 | H14 | 62.9° | 50.4° |
| H11 | C8 | C7 | H13 | 179.2° | 49.8° |
| H11 | C8 | C7 | H14 | 58.0° | 69.9° |
| H12 | C22 | C21 | H16 | 1.2° | 0.0° |
| H12 | C22 | C23 | H17 | 0.7° | 0.2° |
| H15 | C19 | C39 | H36 | 63.9° | 60.0° |
| H15 | C19 | C39 | H37 | 176.1° | 60.0° |
| H15 | C19 | C39 | H38 | 56.1° | 180.0° |
| H18 | C26 | C27 | H19 | 0.6° | 0.0° |
| H19 | C27 | C28 | H20 | 0.1° | 0.1° |
| H21 | C31 | C32 | H23 | 63.4° | 174.3° |
| H22 | C31 | C32 | H23 | 56.6° | 65.7° |
| H23 | C32 | C36 | H29 | 5.3° | 144.4° |
| H23 | C32 | C36 | H30 | 124.9° | 21.0° |
| H25 | C34 | C35 | H27 | 29.1° | 37.8° |
| H25 | C34 | C35 | H28 | 92.7° | 86.0° |
| H26 | C34 | C35 | H27 | 150.8° | 160.2° |
| H26 | C34 | C35 | H28 | 29.0° | 36.4° |
| H27 | C35 | C36 | H29 | 22.8° | 159.2° |
| H27 | C35 | C36 | H30 | 142.4° | 35.9° |
| H28 | C35 | C36 | H29 | 99.1° | 35.5° |
| H28 | C35 | C36 | H30 | 20.6° | 87.8° |
| H31 | C37 | H32 | H33 | 120.0° | 119.9° |
| H36 | C39 | H37 | H38 | 120.0° | 120.1° |
