IQN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | N40 | sing | 1.47Å | 1.48Å | |
| C43 | N40 | sing | 1.47Å | 1.49Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| N40 | C39 | sing | 1.47Å | 1.49Å | |
| C44 | C37 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| F13 | C12 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.48Å | 1.44Å | |
| C10 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C26 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | O36 | sing | 1.43Å | 1.43Å | |
| N15 | C14 | sing | 1.34Å | 1.34Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C19 | doub | 1.42Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | N28 | sing | 1.48Å | 1.46Å | |
| O32 | C29 | doub | 1.21Å | 1.21Å | |
| O36 | C16 | sing | 1.35Å | 1.39Å | |
| C21 | CL1 | sing | 1.74Å | 1.74Å | |
| C21 | C20 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.42Å | 1.39Å | Aromatic |
| N17 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C35 | N23 | sing | 1.47Å | 1.48Å | |
| C18 | N23 | sing | 1.38Å | 1.44Å | |
| N23 | C24 | sing | 1.47Å | 1.48Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C33 | sing | 1.53Å | 1.54Å | |
| C9 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.35Å | 1.37Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C5 | N6 | sing | 1.37Å | 1.34Å | Aromatic |
| N28 | C33 | sing | 1.48Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.34Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C38 | H10 | sing | 1.09Å | 1.10Å | |
| C38 | H11 | sing | 1.09Å | 1.10Å | |
| C44 | H12 | sing | 1.09Å | 1.10Å | |
| C44 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C41 | N40 | 108.5° | 109.5° |
| C41 | C42 | H34 | 109.5° | 109.5° |
| C41 | C42 | H35 | 109.4° | 109.4° |
| C41 | C42 | H36 | 109.4° | 109.5° |
| C42 | C41 | H37 | 109.7° | 109.5° |
| C42 | C41 | H38 | 109.7° | 109.5° |
| C41 | N40 | C43 | 110.1° | 111.0° |
| C41 | N40 | C39 | 114.2° | 111.0° |
| N40 | C41 | H37 | 109.7° | 109.5° |
| N40 | C41 | H38 | 109.7° | 109.5° |
| N40 | C43 | C44 | 110.8° | 109.5° |
| C43 | N40 | C39 | 113.8° | 111.2° |
| N40 | C43 | H20 | 109.1° | 109.5° |
| N40 | C43 | H21 | 109.1° | 109.5° |
| C43 | C44 | C37 | 112.5° | 109.2° |
| C43 | C44 | H12 | 108.7° | 109.5° |
| C43 | C44 | H13 | 108.7° | 109.5° |
| C44 | C43 | H20 | 109.2° | 109.4° |
| C44 | C43 | H21 | 109.2° | 109.5° |
| C1 | C2 | C3 | 118.1° | 119.8° |
| C1 | C2 | C10 | 118.6° | 119.8° |
| C2 | C1 | H31 | 109.5° | 109.5° |
| C2 | C1 | H32 | 109.5° | 109.5° |
| C2 | C1 | H33 | 109.5° | 109.4° |
| N40 | C39 | C38 | 108.4° | 109.5° |
| N40 | C39 | H18 | 109.7° | 109.4° |
| N40 | C39 | H19 | 109.7° | 109.5° |
| C44 | C37 | C38 | 108.7° | 109.2° |
| C44 | C37 | O36 | 113.0° | 109.5° |
| C37 | C44 | H12 | 108.7° | 109.5° |
| C37 | C44 | H13 | 108.7° | 109.6° |
| C44 | C37 | H30 | 109.1° | 109.5° |
| C3 | C2 | C10 | 123.3° | 120.4° |
| C2 | C3 | C4 | 125.3° | 120.8° |
| C2 | C3 | H1 | 117.3° | 119.7° |
| C2 | C10 | C11 | 128.1° | 120.3° |
| C2 | C10 | C9 | 111.3° | 119.5° |
| C3 | C4 | C5 | 113.6° | 120.1° |
| C4 | C3 | H1 | 117.4° | 119.6° |
| C3 | C4 | H2 | 123.2° | 120.0° |
| C39 | C38 | C37 | 115.0° | 109.3° |
| C39 | C38 | H10 | 108.1° | 109.4° |
| C39 | C38 | H11 | 108.1° | 109.5° |
| C38 | C39 | H18 | 109.7° | 109.4° |
| C38 | C39 | H19 | 109.7° | 109.5° |
| F13 | C12 | C11 | 118.3° | 120.3° |
| F13 | C12 | C14 | 119.3° | 120.3° |
| C11 | C10 | C9 | 120.6° | 120.2° |
| C10 | C11 | C12 | 119.5° | 119.7° |
| C10 | C11 | C21 | 121.4° | 119.8° |
| C10 | C9 | C5 | 126.5° | 119.4° |
| C10 | C9 | C8 | 126.5° | 133.5° |
| C35 | C34 | C26 | 115.8° | 109.0° |
| C34 | C35 | N23 | 103.2° | 109.4° |
| C35 | C34 | H16 | 107.9° | 109.6° |
| C35 | C34 | H17 | 107.9° | 109.5° |
| C34 | C35 | H28 | 111.0° | 109.5° |
| C34 | C35 | H29 | 111.0° | 109.4° |
| C34 | C26 | C27 | 113.2° | 113.7° |
| C34 | C26 | C25 | 115.7° | 112.8° |
| C34 | C26 | C33 | 111.3° | 113.7° |
| C26 | C34 | H16 | 107.9° | 109.5° |
| C26 | C34 | H17 | 107.8° | 109.6° |
| C4 | C5 | C9 | 120.0° | 119.8° |
| C4 | C5 | N6 | 130.4° | 133.7° |
| C5 | C4 | H2 | 123.2° | 119.9° |
| C11 | C12 | C14 | 122.4° | 119.4° |
| C12 | C11 | C21 | 119.0° | 120.5° |
| C12 | C14 | N15 | 120.5° | 121.8° |
| C12 | C14 | C19 | 118.4° | 119.4° |
| C11 | C21 | CL1 | 120.7° | 119.6° |
| C11 | C21 | C20 | 119.1° | 120.7° |
| C38 | C37 | O36 | 106.8° | 109.5° |
| C37 | C38 | H10 | 108.1° | 109.5° |
| C37 | C38 | H11 | 108.1° | 109.6° |
| C38 | C37 | H30 | 109.0° | 109.5° |
| C37 | O36 | C16 | 118.5° | 117.0° |
| O36 | C37 | H30 | 110.1° | 109.5° |
| C14 | N15 | C16 | 119.6° | 120.5° |
| N15 | C14 | C19 | 121.1° | 118.8° |
| N15 | C16 | O36 | 113.1° | 118.6° |
| N15 | C16 | N17 | 124.4° | 122.7° |
| C14 | C19 | C20 | 120.0° | 120.0° |
| C14 | C19 | C18 | 114.6° | 118.2° |
| C26 | C27 | N28 | 87.2° | 86.0° |
| C27 | C26 | C25 | 112.4° | 113.8° |
| C27 | C26 | C33 | 89.9° | 86.8° |
| C26 | C27 | H22 | 114.7° | 113.8° |
| C26 | C27 | H23 | 114.7° | 113.7° |
| C27 | N28 | C29 | 128.3° | 134.4° |
| C27 | N28 | C33 | 95.7° | 91.1° |
| N28 | C27 | H22 | 114.7° | 113.8° |
| N28 | C27 | H23 | 114.7° | 113.8° |
| O32 | C29 | N28 | 122.0° | 120.0° |
| O32 | C29 | C30 | 120.9° | 120.0° |
| O36 | C16 | N17 | 122.5° | 118.6° |
| CL1 | C21 | C20 | 120.2° | 119.7° |
| C21 | C20 | C19 | 121.1° | 119.9° |
| C21 | C20 | H3 | 119.5° | 120.0° |
| C16 | N17 | C18 | 114.3° | 121.5° |
| C20 | C19 | C18 | 125.3° | 121.8° |
| C19 | C20 | H3 | 119.4° | 120.1° |
| C19 | C18 | N17 | 125.9° | 118.3° |
| C19 | C18 | N23 | 120.6° | 120.8° |
| N17 | C18 | N23 | 113.5° | 120.8° |
| C35 | N23 | C18 | 118.0° | 111.0° |
| C35 | N23 | C24 | 111.5° | 111.5° |
| N23 | C35 | H28 | 111.0° | 109.5° |
| N23 | C35 | H29 | 111.0° | 109.5° |
| C18 | N23 | C24 | 116.2° | 111.0° |
| N23 | C24 | C25 | 101.2° | 109.4° |
| N23 | C24 | H26 | 111.5° | 109.5° |
| N23 | C24 | H27 | 111.5° | 109.5° |
| C25 | C26 | C33 | 111.6° | 113.7° |
| C26 | C25 | C24 | 111.7° | 109.0° |
| C26 | C25 | H14 | 108.9° | 109.6° |
| C26 | C25 | H15 | 108.9° | 109.6° |
| C26 | C33 | N28 | 87.1° | 86.0° |
| C26 | C33 | H24 | 114.7° | 113.8° |
| C26 | C33 | H25 | 114.7° | 113.8° |
| C5 | C9 | C8 | 107.0° | 107.0° |
| C9 | C5 | N6 | 109.6° | 106.5° |
| C9 | C8 | N7 | 104.2° | 108.6° |
| C9 | C8 | H4 | 127.9° | 125.7° |
| N28 | C29 | C30 | 117.0° | 120.0° |
| C29 | N28 | C33 | 130.3° | 134.5° |
| C29 | C30 | C31 | 109.3° | 109.5° |
| C29 | C30 | H8 | 109.5° | 109.4° |
| C29 | C30 | H9 | 109.5° | 109.5° |
| C5 | N6 | N7 | 105.3° | 108.1° |
| C5 | N6 | H39 | 127.4° | 125.9° |
| N28 | C33 | H24 | 114.7° | 113.8° |
| N28 | C33 | H25 | 114.7° | 113.9° |
| C24 | C25 | H14 | 108.9° | 109.6° |
| C24 | C25 | H15 | 108.9° | 109.5° |
| C25 | C24 | H26 | 111.5° | 109.5° |
| C25 | C24 | H27 | 111.5° | 109.5° |
| C30 | C31 | H5 | 109.5° | 109.5° |
| C30 | C31 | H6 | 109.5° | 109.5° |
| C30 | C31 | H7 | 109.5° | 109.5° |
| C31 | C30 | H8 | 109.5° | 109.5° |
| C31 | C30 | H9 | 109.5° | 109.5° |
| C8 | N7 | N6 | 114.0° | 109.7° |
| N7 | C8 | H4 | 127.9° | 125.7° |
| N7 | N6 | H39 | 127.3° | 126.0° |
| H5 | C31 | H6 | 109.5° | 109.5° |
| H5 | C31 | H7 | 109.5° | 109.4° |
| H6 | C31 | H7 | 109.5° | 109.5° |
| H8 | C30 | H9 | 109.5° | 109.4° |
| H10 | C38 | H11 | 109.4° | 109.5° |
| H12 | C44 | H13 | 109.4° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.6° |
| H16 | C34 | H17 | 109.5° | 109.7° |
| H18 | C39 | H19 | 109.5° | 109.5° |
| H20 | C43 | H21 | 109.4° | 109.5° |
| H22 | C27 | H23 | 109.5° | 113.1° |
| H24 | C33 | H25 | 109.5° | 112.9° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H31 | C1 | H32 | 109.4° | 109.5° |
| H31 | C1 | H33 | 109.4° | 109.5° |
| H32 | C1 | H33 | 109.5° | 109.4° |
| H34 | C42 | H35 | 109.5° | 109.5° |
| H34 | C42 | H36 | 109.5° | 109.5° |
| H35 | C42 | H36 | 109.5° | 109.5° |
| H37 | C41 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C41 | N40 | H37 | 119.9° | 120.0° |
| C42 | C41 | N40 | H38 | 119.9° | 120.0° |
| C42 | C41 | N40 | C43 | 168.5° | 170.0° |
| C42 | C41 | N40 | C39 | 39.0° | 65.8° |
| C41 | C42 | H34 | H35 | 120.0° | 120.0° |
| C41 | C42 | H34 | H36 | 120.0° | 120.0° |
| C41 | C42 | H35 | H36 | 120.0° | 120.0° |
| C42 | C41 | H37 | H38 | 120.5° | 119.9° |
| C41 | N40 | C43 | C39 | 129.7° | 124.0° |
| C41 | N40 | C43 | C44 | 174.3° | 174.2° |
| C41 | N40 | C39 | C38 | 178.1° | 174.2° |
| C41 | N40 | C39 | H18 | 62.1° | 54.2° |
| C41 | N40 | C39 | H19 | 58.3° | 65.8° |
| C41 | N40 | C43 | H20 | 54.0° | 65.8° |
| C41 | N40 | C43 | H21 | 65.5° | 54.1° |
| N40 | C41 | C42 | H34 | 180.0° | 59.9° |
| N40 | C41 | C42 | H35 | 60.0° | 60.0° |
| N40 | C41 | C42 | H36 | 60.0° | 180.0° |
| N40 | C41 | H37 | H38 | 120.4° | 120.1° |
| N40 | C43 | C44 | H20 | 120.2° | 120.0° |
| N40 | C43 | C44 | H21 | 120.2° | 120.0° |
| N40 | C43 | C44 | C37 | 55.1° | 59.2° |
| C43 | N40 | C39 | C38 | 54.3° | 61.8° |
| N40 | C43 | C44 | H12 | 65.4° | 60.7° |
| N40 | C43 | C44 | H13 | 175.6° | 179.2° |
| C43 | N40 | C39 | H18 | 65.6° | 178.3° |
| C43 | N40 | C39 | H19 | 174.1° | 58.2° |
| N40 | C43 | H20 | H21 | 119.4° | 120.0° |
| C43 | N40 | C41 | H37 | 71.6° | 50.0° |
| C43 | N40 | C41 | H38 | 48.7° | 70.0° |
| C44 | C43 | N40 | C39 | 56.0° | 61.8° |
| C43 | C44 | C37 | H12 | 120.5° | 119.9° |
| C43 | C44 | C37 | H13 | 120.5° | 120.0° |
| C43 | C44 | C37 | C38 | 53.5° | 57.6° |
| C43 | C44 | C37 | O36 | 64.9° | 62.3° |
| C43 | C44 | H12 | H13 | 118.6° | 120.1° |
| C44 | C43 | H20 | H21 | 119.4° | 120.0° |
| C43 | C44 | C37 | H30 | 172.2° | 177.5° |
| C1 | C2 | C3 | C10 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 179.3° | 180.0° |
| C1 | C2 | C10 | C11 | 2.8° | 0.2° |
| C1 | C2 | C10 | C9 | 179.6° | 179.4° |
| C1 | C2 | C3 | H1 | 0.8° | 0.2° |
| C2 | C1 | H31 | H32 | 120.0° | 120.0° |
| C2 | C1 | H31 | H33 | 120.0° | 120.0° |
| C2 | C1 | H32 | H33 | 120.0° | 119.9° |
| N40 | C39 | C38 | H18 | 119.8° | 120.0° |
| N40 | C39 | C38 | H19 | 119.8° | 120.0° |
| N40 | C39 | C38 | C37 | 54.4° | 59.2° |
| N40 | C39 | C38 | H10 | 175.2° | 179.1° |
| N40 | C39 | C38 | H11 | 66.5° | 60.8° |
| N40 | C39 | H18 | H19 | 120.5° | 120.0° |
| C39 | N40 | C43 | H20 | 176.2° | 58.2° |
| C39 | N40 | C43 | H21 | 64.2° | 178.2° |
| C39 | N40 | C41 | H37 | 158.9° | 174.2° |
| C39 | N40 | C41 | H38 | 80.8° | 54.2° |
| C44 | C37 | C38 | C39 | 54.4° | 57.7° |
| C44 | C37 | C38 | O36 | 122.2° | 120.0° |
| C44 | C37 | C38 | H30 | 118.8° | 119.9° |
| C44 | C37 | O36 | H30 | 122.3° | 120.1° |
| C44 | C37 | O36 | C16 | 65.2° | 149.9° |
| C44 | C37 | C38 | H10 | 175.2° | 177.6° |
| C44 | C37 | C38 | H11 | 66.4° | 62.3° |
| C37 | C44 | H12 | H13 | 118.6° | 120.1° |
| C37 | C44 | C43 | H20 | 175.3° | 60.8° |
| C37 | C44 | C43 | H21 | 65.1° | 179.2° |
| C2 | C3 | C4 | H1 | 180.0° | 179.8° |
| C3 | C2 | C10 | C11 | 177.7° | 179.8° |
| C3 | C2 | C10 | C9 | 0.0° | 0.6° |
| C2 | C3 | C4 | C5 | 1.2° | 0.3° |
| C2 | C3 | C4 | H2 | 178.8° | 179.8° |
| C3 | C2 | C1 | H31 | 90.2° | 90.0° |
| C3 | C2 | C1 | H32 | 149.8° | 150.0° |
| C3 | C2 | C1 | H33 | 29.8° | 30.1° |
| C10 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C10 | C11 | C9 | 177.4° | 179.2° |
| C2 | C10 | C11 | C12 | 104.3° | 89.2° |
| C2 | C10 | C11 | C21 | 78.2° | 90.8° |
| C2 | C10 | C9 | C5 | 0.9° | 0.8° |
| C2 | C10 | C9 | C8 | 179.3° | 179.9° |
| C10 | C2 | C3 | H1 | 178.8° | 179.8° |
| C10 | C2 | C1 | H31 | 90.2° | 90.0° |
| C10 | C2 | C1 | H32 | 29.8° | 30.0° |
| C10 | C2 | C1 | H33 | 149.8° | 150.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C9 | 0.4° | 0.0° |
| C3 | C4 | C5 | N6 | 179.5° | 180.0° |
| C39 | C38 | C37 | H10 | 120.8° | 119.9° |
| C39 | C38 | C37 | H11 | 120.8° | 120.0° |
| C39 | C38 | C37 | O36 | 67.8° | 62.3° |
| C39 | C38 | H10 | H11 | 117.5° | 120.0° |
| C38 | C39 | H18 | H19 | 120.4° | 120.0° |
| C39 | C38 | C37 | H30 | 173.2° | 177.6° |
| F13 | C12 | C11 | C10 | 4.7° | 0.0° |
| F13 | C12 | C11 | C14 | 177.6° | 179.7° |
| F13 | C12 | C11 | C21 | 177.8° | 179.9° |
| F13 | C12 | C14 | N15 | 1.4° | 0.3° |
| F13 | C12 | C14 | C19 | 178.8° | 179.7° |
| C10 | C11 | C12 | C21 | 177.5° | 179.9° |
| C10 | C11 | C12 | C14 | 177.7° | 179.7° |
| C10 | C11 | C21 | CL1 | 3.2° | 0.1° |
| C10 | C11 | C21 | C20 | 177.1° | 179.4° |
| C11 | C10 | C9 | C5 | 177.0° | 180.0° |
| C11 | C10 | C9 | C8 | 2.8° | 0.7° |
| C10 | C9 | C5 | C4 | 0.7° | 0.5° |
| C9 | C10 | C11 | C12 | 78.2° | 90.0° |
| C9 | C10 | C11 | C21 | 99.2° | 90.0° |
| C10 | C9 | C5 | C8 | 179.8° | 179.4° |
| C10 | C9 | C5 | N6 | 179.4° | 179.4° |
| C10 | C9 | C8 | N7 | 179.6° | 179.3° |
| C10 | C9 | C8 | H4 | 0.4° | 0.7° |
| C35 | C34 | C26 | H16 | 120.9° | 119.8° |
| C35 | C34 | C26 | H17 | 120.9° | 119.8° |
| C35 | C34 | C26 | C27 | 166.1° | 174.8° |
| C34 | C35 | N23 | H28 | 119.0° | 120.0° |
| C34 | C35 | N23 | H29 | 119.0° | 119.9° |
| C34 | C35 | N23 | C18 | 149.3° | 172.2° |
| C34 | C35 | N23 | C24 | 72.3° | 63.6° |
| C35 | C34 | C26 | C25 | 34.4° | 53.7° |
| C35 | C34 | C26 | C33 | 94.4° | 77.6° |
| C35 | C34 | H16 | H17 | 117.2° | 120.3° |
| C34 | C35 | H28 | H29 | 122.9° | 120.0° |
| C34 | C26 | C27 | C25 | 133.4° | 131.0° |
| C34 | C26 | C27 | C33 | 113.2° | 114.5° |
| C34 | C26 | C27 | N28 | 110.5° | 91.1° |
| C26 | C34 | C35 | N23 | 45.9° | 56.8° |
| C34 | C26 | C25 | C33 | 128.7° | 131.3° |
| C34 | C26 | C33 | N28 | 112.2° | 91.2° |
| C34 | C26 | C25 | C24 | 40.4° | 53.7° |
| C34 | C26 | C25 | H14 | 160.8° | 66.2° |
| C34 | C26 | C25 | H15 | 79.9° | 173.6° |
| C26 | C34 | H16 | H17 | 117.1° | 120.3° |
| C34 | C26 | C27 | H22 | 5.5° | 23.2° |
| C34 | C26 | C27 | H23 | 133.5° | 154.6° |
| C34 | C26 | C33 | H24 | 131.9° | 154.5° |
| C34 | C26 | C33 | H25 | 3.8° | 23.2° |
| C26 | C34 | C35 | H28 | 164.9° | 176.8° |
| C26 | C34 | C35 | H29 | 73.1° | 63.2° |
| C4 | C5 | C9 | N6 | 179.9° | 180.0° |
| C4 | C5 | C9 | C8 | 179.4° | 179.9° |
| C4 | C5 | N6 | N7 | 179.5° | 180.0° |
| C5 | C4 | C3 | H1 | 178.7° | 179.9° |
| C4 | C5 | N6 | H39 | 0.5° | 0.0° |
| C11 | C12 | C14 | N15 | 179.0° | 180.0° |
| C11 | C12 | C14 | C19 | 1.2° | 0.0° |
| C12 | C11 | C21 | CL1 | 179.3° | 180.0° |
| C12 | C11 | C21 | C20 | 0.4° | 0.7° |
| C14 | C12 | C11 | C21 | 0.1° | 0.4° |
| C12 | C14 | N15 | C19 | 179.8° | 180.0° |
| C12 | C14 | N15 | C16 | 179.6° | 180.0° |
| C12 | C14 | C19 | C20 | 1.6° | 0.0° |
| C12 | C14 | C19 | C18 | 178.8° | 180.0° |
| C11 | C21 | CL1 | C20 | 179.7° | 179.3° |
| C11 | C21 | C20 | C19 | 0.1° | 0.6° |
| C11 | C21 | C20 | H3 | 179.9° | 179.6° |
| C38 | C37 | O36 | H30 | 118.2° | 120.2° |
| C38 | C37 | O36 | C16 | 175.3° | 90.3° |
| C37 | C38 | H10 | H11 | 117.5° | 120.2° |
| C38 | C37 | C44 | H12 | 67.0° | 62.2° |
| C38 | C37 | C44 | H13 | 173.9° | 177.6° |
| C37 | C38 | C39 | H18 | 65.5° | 179.2° |
| C37 | C38 | C39 | H19 | 174.2° | 60.8° |
| C37 | O36 | C16 | N15 | 168.1° | 0.0° |
| C37 | O36 | C16 | N17 | 12.9° | 180.0° |
| O36 | C37 | C38 | H10 | 53.0° | 57.6° |
| O36 | C37 | C38 | H11 | 171.4° | 177.8° |
| O36 | C37 | C44 | H12 | 174.7° | 177.8° |
| O36 | C37 | C44 | H13 | 55.6° | 57.7° |
| C14 | N15 | C16 | O36 | 179.7° | 180.0° |
| C14 | N15 | C16 | N17 | 0.8° | 0.0° |
| N15 | C14 | C19 | C20 | 178.5° | 180.0° |
| N15 | C14 | C19 | C18 | 1.0° | 0.0° |
| C16 | N15 | C14 | C19 | 0.2° | 0.0° |
| N15 | C16 | O36 | N17 | 179.0° | 179.9° |
| N15 | C16 | N17 | C18 | 0.8° | 0.0° |
| C14 | C19 | C20 | C21 | 1.2° | 0.3° |
| C14 | C19 | C20 | C18 | 179.5° | 180.0° |
| C14 | C19 | C18 | N17 | 1.0° | 0.0° |
| C14 | C19 | C18 | N23 | 179.2° | 180.0° |
| C14 | C19 | C20 | H3 | 178.8° | 179.9° |
| C26 | C27 | N28 | H22 | 116.0° | 114.3° |
| C26 | C27 | N28 | H23 | 116.0° | 114.2° |
| C27 | C26 | C25 | C33 | 99.2° | 97.3° |
| C26 | C27 | N28 | C29 | 152.3° | 155.7° |
| C26 | C27 | N28 | C33 | 2.9° | 24.3° |
| C27 | C26 | C25 | C24 | 172.5° | 174.8° |
| C27 | C26 | C25 | H14 | 67.1° | 65.3° |
| C27 | C26 | C25 | H15 | 52.2° | 55.0° |
| C27 | C26 | C34 | H16 | 72.9° | 55.0° |
| C27 | C26 | C34 | H17 | 45.2° | 65.3° |
| C26 | C27 | H22 | H23 | 130.6° | 131.8° |
| C27 | C26 | C33 | H24 | 113.2° | 91.0° |
| C27 | C26 | C33 | H25 | 118.7° | 137.7° |
| C27 | N28 | C29 | O32 | 11.0° | 0.0° |
| N28 | C27 | C26 | C25 | 116.2° | 137.9° |
| C27 | N28 | C29 | C33 | 146.9° | 180.0° |
| C27 | N28 | C29 | C30 | 171.9° | 180.0° |
| N28 | C27 | H22 | H23 | 130.6° | 131.9° |
| C27 | N28 | C33 | H24 | 113.1° | 90.0° |
| C27 | N28 | C33 | H25 | 118.8° | 138.6° |
| O32 | C29 | N28 | C30 | 177.2° | 180.0° |
| O32 | C29 | N28 | C33 | 157.8° | 180.0° |
| O32 | C29 | C30 | C31 | 65.4° | 0.0° |
| O32 | C29 | C30 | H8 | 54.6° | 120.0° |
| O32 | C29 | C30 | H9 | 174.6° | 120.0° |
| O36 | C16 | N17 | C18 | 179.6° | 180.0° |
| C16 | O36 | C37 | H30 | 57.1° | 29.8° |
| CL1 | C21 | C20 | C19 | 179.8° | 179.9° |
| CL1 | C21 | C20 | H3 | 0.1° | 0.3° |
| C21 | C20 | C19 | H3 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 179.3° | 179.7° |
| C16 | N17 | C18 | C19 | 0.2° | 0.0° |
| C16 | N17 | C18 | N23 | 180.0° | 180.0° |
| C20 | C19 | C18 | N17 | 178.5° | 180.0° |
| C20 | C19 | C18 | N23 | 1.3° | 0.0° |
| C19 | C18 | N17 | N23 | 179.8° | 180.0° |
| C19 | C18 | N23 | C35 | 162.7° | 117.7° |
| C19 | C18 | N23 | C24 | 60.9° | 117.7° |
| C18 | C19 | C20 | H3 | 0.7° | 0.0° |
| N17 | C18 | N23 | C35 | 17.1° | 62.3° |
| N17 | C18 | N23 | C24 | 119.2° | 62.3° |
| C35 | N23 | C18 | C24 | 136.4° | 124.6° |
| C35 | N23 | C24 | C25 | 79.4° | 63.6° |
| N23 | C35 | C34 | H16 | 166.8° | 176.6° |
| N23 | C35 | C34 | H17 | 75.0° | 63.1° |
| C35 | N23 | C24 | H26 | 161.9° | 56.4° |
| C35 | N23 | C24 | H27 | 39.2° | 176.5° |
| N23 | C35 | H28 | H29 | 122.9° | 120.0° |
| C18 | N23 | C24 | C25 | 141.5° | 172.1° |
| C18 | N23 | C24 | H26 | 22.8° | 67.9° |
| C18 | N23 | C24 | H27 | 99.9° | 52.2° |
| C18 | N23 | C35 | H28 | 30.4° | 52.2° |
| C18 | N23 | C35 | H29 | 91.7° | 67.9° |
| N23 | C24 | C25 | C26 | 58.0° | 56.8° |
| N23 | C24 | C25 | H26 | 118.6° | 120.0° |
| N23 | C24 | C25 | H27 | 118.7° | 120.0° |
| N23 | C24 | C25 | H14 | 178.3° | 63.1° |
| N23 | C24 | C25 | H15 | 62.3° | 176.7° |
| N23 | C24 | H26 | H27 | 123.9° | 120.1° |
| C24 | N23 | C35 | H28 | 168.7° | 176.4° |
| C24 | N23 | C35 | H29 | 46.6° | 56.4° |
| C25 | C26 | C33 | N28 | 116.8° | 137.9° |
| C26 | C25 | C24 | H14 | 120.3° | 119.9° |
| C26 | C25 | C24 | H15 | 120.3° | 119.9° |
| C26 | C25 | H14 | H15 | 118.9° | 120.3° |
| C25 | C26 | C34 | H16 | 155.3° | 173.5° |
| C25 | C26 | C34 | H17 | 86.5° | 66.2° |
| C25 | C26 | C27 | H22 | 127.9° | 107.8° |
| C25 | C26 | C27 | H23 | 0.1° | 23.6° |
| C25 | C26 | C33 | H24 | 0.9° | 23.6° |
| C25 | C26 | C33 | H25 | 127.2° | 107.7° |
| C26 | C25 | C24 | H26 | 176.6° | 63.2° |
| C26 | C25 | C24 | H27 | 60.7° | 176.8° |
| C26 | C33 | N28 | C29 | 151.6° | 155.7° |
| C26 | C33 | N28 | H24 | 116.0° | 114.2° |
| C26 | C33 | N28 | H25 | 116.0° | 114.3° |
| C33 | C26 | C25 | C24 | 88.2° | 77.6° |
| C33 | C26 | C25 | H14 | 32.1° | 162.5° |
| C33 | C26 | C25 | H15 | 151.4° | 42.3° |
| C33 | C26 | C34 | H16 | 26.5° | 42.2° |
| C33 | C26 | C34 | H17 | 144.6° | 162.5° |
| C33 | C26 | C27 | H22 | 118.7° | 137.6° |
| C33 | C26 | C27 | H23 | 113.3° | 90.9° |
| C26 | C33 | H24 | H25 | 130.7° | 131.7° |
| C5 | C9 | C8 | N7 | 0.3° | 0.0° |
| C9 | C5 | N6 | N7 | 0.4° | 0.0° |
| C9 | C5 | C4 | H2 | 179.7° | 180.0° |
| C5 | C9 | C8 | H4 | 179.7° | 180.0° |
| C9 | C5 | N6 | H39 | 179.6° | 180.0° |
| C8 | C9 | C5 | N6 | 0.4° | 0.0° |
| C9 | C8 | N7 | H4 | 180.0° | 179.9° |
| C9 | C8 | N7 | N6 | 0.1° | 0.0° |
| N28 | C29 | C30 | C31 | 117.4° | 180.0° |
| N28 | C29 | C30 | H8 | 122.6° | 60.0° |
| N28 | C29 | C30 | H9 | 2.6° | 59.9° |
| C29 | N28 | C27 | H22 | 36.3° | 41.5° |
| C29 | N28 | C27 | H23 | 91.6° | 90.1° |
| C29 | N28 | C33 | H24 | 92.4° | 90.0° |
| C29 | N28 | C33 | H25 | 35.6° | 41.4° |
| C30 | C29 | N28 | C33 | 25.0° | 0.1° |
| C29 | C30 | C31 | H8 | 120.0° | 120.0° |
| C29 | C30 | C31 | H9 | 120.0° | 120.1° |
| C29 | C30 | C31 | H5 | 180.0° | 60.0° |
| C29 | C30 | C31 | H6 | 60.0° | 180.0° |
| C29 | C30 | C31 | H7 | 60.0° | 59.9° |
| C29 | C30 | H8 | H9 | 120.0° | 120.0° |
| C5 | N6 | N7 | C8 | 0.2° | 0.0° |
| C5 | N6 | N7 | H39 | 180.0° | 180.0° |
| N6 | C5 | C4 | H2 | 0.5° | 0.1° |
| C33 | N28 | C27 | H22 | 118.9° | 138.5° |
| C33 | N28 | C27 | H23 | 113.1° | 89.9° |
| N28 | C33 | H24 | H25 | 130.6° | 131.9° |
| C24 | C25 | H14 | H15 | 119.0° | 120.2° |
| C25 | C24 | H26 | H27 | 123.9° | 120.0° |
| C30 | C31 | H5 | H6 | 120.0° | 120.1° |
| C30 | C31 | H5 | H7 | 120.0° | 120.0° |
| C30 | C31 | H6 | H7 | 120.0° | 120.0° |
| C31 | C30 | H8 | H9 | 120.1° | 120.0° |
| C8 | N7 | N6 | H39 | 179.8° | 180.0° |
| N6 | N7 | C8 | H4 | 180.0° | 180.0° |
| H1 | C3 | C4 | H2 | 1.3° | 0.0° |
| H5 | C31 | H6 | H7 | 120.0° | 119.9° |
| H5 | C31 | C30 | H8 | 60.0° | 180.0° |
| H5 | C31 | C30 | H9 | 60.0° | 60.0° |
| H6 | C31 | C30 | H8 | 180.0° | 60.0° |
| H6 | C31 | C30 | H9 | 60.0° | 60.0° |
| H7 | C31 | C30 | H8 | 60.0° | 60.0° |
| H7 | C31 | C30 | H9 | 180.0° | 180.0° |
| H10 | C38 | C39 | H18 | 55.3° | 60.9° |
| H10 | C38 | C39 | H19 | 65.0° | 59.2° |
| H10 | C38 | C37 | H30 | 66.0° | 62.6° |
| H11 | C38 | C39 | H18 | 173.7° | 59.2° |
| H11 | C38 | C39 | H19 | 53.4° | 179.2° |
| H11 | C38 | C37 | H30 | 52.4° | 57.6° |
| H12 | C44 | C43 | H20 | 54.8° | 179.3° |
| H12 | C44 | C43 | H21 | 174.4° | 59.3° |
| H12 | C44 | C37 | H30 | 51.7° | 57.7° |
| H13 | C44 | C43 | H20 | 64.2° | 59.2° |
| H13 | C44 | C43 | H21 | 55.4° | 60.8° |
| H13 | C44 | C37 | H30 | 67.3° | 62.5° |
| H14 | C25 | C24 | H26 | 63.0° | 176.9° |
| H14 | C25 | C24 | H27 | 59.7° | 56.9° |
| H15 | C25 | C24 | H26 | 56.3° | 56.7° |
| H15 | C25 | C24 | H27 | 179.0° | 63.3° |
| H16 | C34 | C35 | H28 | 74.2° | 63.4° |
| H16 | C34 | C35 | H29 | 47.8° | 56.6° |
| H17 | C34 | C35 | H28 | 44.0° | 56.9° |
| H17 | C34 | C35 | H29 | 166.0° | 177.0° |
| H31 | C1 | H32 | H33 | 119.9° | 120.1° |
| H34 | C42 | H35 | H36 | 120.0° | 120.1° |
| H34 | C42 | C41 | H37 | 60.1° | 60.1° |
| H34 | C42 | C41 | H38 | 60.2° | 180.0° |
| H35 | C42 | C41 | H37 | 59.9° | 179.9° |
| H35 | C42 | C41 | H38 | 179.8° | 60.0° |
| H36 | C42 | C41 | H37 | 179.8° | 60.0° |
| H36 | C42 | C41 | H38 | 59.9° | 59.9° |
