XJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C18 | doub | 1.22Å | 1.25Å | |
| O2 | C13 | doub | 1.21Å | 1.27Å | |
| CL3 | C7 | sing | 1.74Å | 1.75Å | |
| CL4 | C6 | sing | 1.74Å | 1.73Å | |
| C5 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| N12 | C13 | sing | 1.35Å | 1.38Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | N17 | sing | 1.46Å | 1.48Å | |
| N15 | C29 | sing | 1.36Å | 1.41Å | |
| N15 | C16 | doub | 1.30Å | 1.32Å | |
| C16 | N17 | sing | 1.36Å | 1.43Å | |
| N17 | C18 | sing | 1.35Å | 1.42Å | |
| C18 | C28 | sing | 1.47Å | 1.49Å | |
| C19 | N22 | sing | 1.47Å | 1.45Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| C20 | N25 | sing | 1.47Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | N22 | sing | 1.47Å | 1.48Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | N25 | sing | 1.47Å | 1.51Å | |
| N25 | C26 | sing | 1.40Å | 1.43Å | |
| C26 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.37Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.55Å | 1.57Å | |
| C32 | C36 | sing | 1.55Å | 1.57Å | |
| C33 | C34 | sing | 1.54Å | 1.58Å | |
| C34 | O35 | sing | 1.44Å | 1.44Å | |
| O35 | C36 | sing | 1.44Å | 1.44Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.08Å | 1.08Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C24 | H54 | sing | 1.09Å | 1.10Å | |
| C24 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.08Å | 1.08Å | |
| C5 | H37 | sing | 1.08Å | 1.08Å | |
| C8 | H38 | sing | 1.08Å | 1.08Å | |
| C9 | H39 | sing | 1.08Å | 1.08Å | |
| N12 | H42 | sing | 0.97Å | 1.00Å | |
| C14 | H43 | sing | 1.09Å | 1.10Å | |
| C14 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.08Å | 1.08Å | |
| C31 | H58 | sing | 1.08Å | 1.08Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C18 | N17 | 119.0° | 121.3° |
| O1 | C18 | C28 | 125.6° | 121.3° |
| O2 | C13 | N12 | 123.1° | 120.0° |
| O2 | C13 | C14 | 122.2° | 120.0° |
| CL3 | C7 | C6 | 118.8° | 120.0° |
| CL3 | C7 | C8 | 118.7° | 120.1° |
| CL4 | C6 | C5 | 120.1° | 120.0° |
| CL4 | C6 | C7 | 118.4° | 120.0° |
| C10 | C5 | C6 | 115.8° | 120.0° |
| C5 | C10 | C9 | 122.0° | 120.0° |
| C5 | C10 | C11 | 120.9° | 120.0° |
| C10 | C5 | H37 | 122.1° | 120.0° |
| C5 | C6 | C7 | 121.5° | 120.0° |
| C6 | C5 | H37 | 122.1° | 120.0° |
| C6 | C7 | C8 | 122.5° | 119.9° |
| C7 | C8 | C9 | 118.0° | 120.0° |
| C7 | C8 | H38 | 121.0° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C8 | H38 | 121.0° | 120.0° |
| C8 | C9 | H39 | 119.9° | 120.0° |
| C9 | C10 | C11 | 116.9° | 119.9° |
| C10 | C9 | H39 | 119.9° | 120.0° |
| C10 | C11 | N12 | 114.0° | 109.5° |
| C10 | C11 | H41 | 108.3° | 109.5° |
| C10 | C11 | H40 | 108.3° | 109.5° |
| C11 | N12 | C13 | 119.2° | 120.0° |
| N12 | C11 | H41 | 108.3° | 109.5° |
| N12 | C11 | H40 | 108.3° | 109.4° |
| C11 | N12 | H42 | 120.4° | 119.9° |
| N12 | C13 | C14 | 114.7° | 120.0° |
| C13 | N12 | H42 | 120.4° | 120.1° |
| C13 | C14 | N17 | 109.5° | 109.5° |
| C13 | C14 | H43 | 109.5° | 109.4° |
| C13 | C14 | H44 | 109.5° | 109.5° |
| C14 | N17 | C16 | 116.9° | 119.7° |
| C14 | N17 | C18 | 122.3° | 119.7° |
| N17 | C14 | H43 | 109.4° | 109.5° |
| N17 | C14 | H44 | 109.4° | 109.5° |
| C29 | N15 | C16 | 118.7° | 121.6° |
| N15 | C29 | C28 | 121.8° | 119.0° |
| N15 | C29 | C30 | 117.9° | 121.6° |
| N15 | C16 | N17 | 123.9° | 123.3° |
| N15 | C16 | H45 | 118.1° | 118.3° |
| C16 | N17 | C18 | 120.8° | 120.6° |
| N17 | C16 | H45 | 118.0° | 118.3° |
| N17 | C18 | C28 | 115.4° | 117.4° |
| C18 | C28 | C27 | 121.4° | 122.0° |
| C18 | C28 | C29 | 119.4° | 118.0° |
| N22 | C19 | C32 | 108.6° | 109.5° |
| C19 | N22 | C21 | 116.2° | 111.0° |
| C19 | N22 | C23 | 111.0° | 111.0° |
| N22 | C19 | H46 | 109.7° | 109.5° |
| N22 | C19 | H47 | 109.7° | 109.5° |
| C19 | C32 | C33 | 114.4° | 110.5° |
| C19 | C32 | C36 | 107.1° | 110.5° |
| C32 | C19 | H46 | 109.7° | 109.5° |
| C32 | C19 | H47 | 109.7° | 109.5° |
| C19 | C32 | H59 | 111.0° | 110.4° |
| N25 | C20 | C21 | 109.0° | 109.4° |
| C20 | N25 | C24 | 114.7° | 110.9° |
| C20 | N25 | C26 | 119.5° | 111.0° |
| N25 | C20 | H48 | 109.6° | 109.5° |
| N25 | C20 | H49 | 109.6° | 109.5° |
| C20 | C21 | N22 | 104.0° | 109.4° |
| C21 | C20 | H48 | 109.6° | 109.5° |
| C21 | C20 | H49 | 109.6° | 109.5° |
| C20 | C21 | H50 | 110.8° | 109.5° |
| C20 | C21 | H51 | 110.8° | 109.5° |
| C21 | N22 | C23 | 110.2° | 110.9° |
| N22 | C21 | H50 | 110.8° | 109.5° |
| N22 | C21 | H51 | 110.8° | 109.5° |
| N22 | C23 | C24 | 101.6° | 109.4° |
| N22 | C23 | H52 | 111.4° | 109.5° |
| N22 | C23 | H53 | 111.4° | 109.5° |
| C23 | C24 | N25 | 105.9° | 109.3° |
| C24 | C23 | H52 | 111.4° | 109.5° |
| C24 | C23 | H53 | 111.4° | 109.5° |
| C23 | C24 | H54 | 110.3° | 109.5° |
| C23 | C24 | H55 | 110.4° | 109.5° |
| C24 | N25 | C26 | 109.3° | 111.0° |
| N25 | C24 | H54 | 110.3° | 109.5° |
| N25 | C24 | H55 | 110.3° | 109.5° |
| N25 | C26 | C31 | 121.4° | 119.8° |
| N25 | C26 | C27 | 118.3° | 119.8° |
| C31 | C26 | C27 | 120.3° | 120.4° |
| C26 | C31 | C30 | 119.1° | 120.9° |
| C26 | C31 | H58 | 120.5° | 119.5° |
| C26 | C27 | C28 | 120.5° | 119.3° |
| C26 | C27 | H56 | 119.7° | 120.3° |
| C27 | C28 | C29 | 119.1° | 120.1° |
| C28 | C27 | H56 | 119.8° | 120.4° |
| C28 | C29 | C30 | 120.2° | 119.4° |
| C29 | C30 | C31 | 120.7° | 119.9° |
| C29 | C30 | H57 | 119.6° | 120.1° |
| C31 | C30 | H57 | 119.6° | 120.0° |
| C30 | C31 | H58 | 120.4° | 119.6° |
| C33 | C32 | C36 | 103.0° | 104.1° |
| C32 | C33 | C34 | 102.6° | 104.1° |
| C33 | C32 | H59 | 110.5° | 110.5° |
| C32 | C33 | H61 | 111.2° | 110.5° |
| C32 | C33 | H60 | 111.2° | 110.5° |
| C32 | C36 | O35 | 104.7° | 104.8° |
| C36 | C32 | H59 | 110.5° | 110.6° |
| C32 | C36 | H64 | 110.6° | 110.4° |
| C32 | C36 | H65 | 110.6° | 110.4° |
| C33 | C34 | O35 | 108.2° | 104.8° |
| C34 | C33 | H61 | 111.1° | 110.5° |
| C34 | C33 | H60 | 111.1° | 110.5° |
| C33 | C34 | H63 | 109.8° | 110.4° |
| C33 | C34 | H62 | 109.8° | 110.4° |
| C34 | O35 | C36 | 108.1° | 105.3° |
| O35 | C34 | H63 | 109.8° | 110.3° |
| O35 | C34 | H62 | 109.8° | 110.4° |
| O35 | C36 | H64 | 110.6° | 110.4° |
| O35 | C36 | H65 | 110.6° | 110.4° |
| H41 | C11 | H40 | 109.5° | 109.5° |
| H46 | C19 | H47 | 109.5° | 109.5° |
| H48 | C20 | H49 | 109.5° | 109.5° |
| H50 | C21 | H51 | 109.4° | 109.5° |
| H52 | C23 | H53 | 109.5° | 109.5° |
| H54 | C24 | H55 | 109.5° | 109.6° |
| H43 | C14 | H44 | 109.5° | 109.5° |
| H61 | C33 | H60 | 109.5° | 110.6° |
| H63 | C34 | H62 | 109.5° | 110.4° |
| H64 | C36 | H65 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C18 | N17 | C14 | 5.4° | 0.0° |
| O1 | C18 | N17 | C16 | 177.8° | 180.0° |
| O1 | C18 | N17 | C28 | 179.7° | 179.5° |
| O1 | C18 | C28 | C27 | 6.9° | 0.0° |
| O1 | C18 | C28 | C29 | 176.6° | 180.0° |
| O2 | C13 | N12 | C11 | 2.3° | 0.0° |
| O2 | C13 | N12 | C14 | 179.2° | 179.9° |
| O2 | C13 | C14 | N17 | 33.7° | 0.1° |
| O2 | C13 | N12 | H42 | 177.7° | 179.9° |
| O2 | C13 | C14 | H43 | 86.3° | 120.1° |
| O2 | C13 | C14 | H44 | 153.7° | 119.9° |
| CL3 | C7 | C6 | CL4 | 3.5° | 0.1° |
| CL3 | C7 | C6 | C5 | 178.5° | 180.0° |
| CL3 | C7 | C6 | C8 | 179.9° | 179.9° |
| CL3 | C7 | C8 | C9 | 179.6° | 179.7° |
| CL3 | C7 | C8 | H38 | 0.4° | 0.1° |
| CL4 | C6 | C5 | C10 | 176.0° | 180.0° |
| CL4 | C6 | C5 | C7 | 178.0° | 179.9° |
| CL4 | C6 | C7 | C8 | 176.7° | 180.0° |
| CL4 | C6 | C5 | H37 | 4.0° | 0.1° |
| C10 | C5 | C6 | H37 | 180.0° | 179.9° |
| C10 | C5 | C6 | C7 | 2.0° | 0.1° |
| C5 | C10 | C9 | C8 | 0.6° | 0.6° |
| C5 | C10 | C9 | C11 | 174.3° | 179.6° |
| C5 | C10 | C11 | N12 | 46.2° | 90.0° |
| C5 | C10 | C11 | H41 | 166.8° | 150.0° |
| C5 | C10 | C11 | H40 | 74.5° | 29.9° |
| C5 | C10 | C9 | H39 | 179.4° | 180.0° |
| C5 | C6 | C7 | C8 | 1.4° | 0.1° |
| C6 | C5 | C10 | C9 | 1.6° | 0.4° |
| C6 | C5 | C10 | C11 | 172.5° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.3° |
| C7 | C6 | C5 | H37 | 178.0° | 180.0° |
| C6 | C7 | C8 | H38 | 179.7° | 180.0° |
| C7 | C8 | C9 | H38 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.1° | 0.6° |
| C7 | C8 | C9 | H39 | 179.9° | 180.0° |
| C8 | C9 | C10 | H39 | 180.0° | 179.4° |
| C8 | C9 | C10 | C11 | 173.7° | 179.8° |
| C9 | C10 | C11 | N12 | 139.4° | 90.3° |
| C9 | C10 | C11 | H41 | 18.8° | 29.7° |
| C9 | C10 | C11 | H40 | 99.9° | 149.7° |
| C9 | C10 | C5 | H37 | 178.4° | 179.8° |
| C10 | C9 | C8 | H38 | 179.9° | 179.7° |
| C10 | C11 | N12 | H41 | 120.7° | 120.1° |
| C10 | C11 | N12 | H40 | 120.7° | 120.0° |
| C10 | C11 | N12 | C13 | 76.8° | 180.0° |
| C10 | C11 | H41 | H40 | 117.9° | 120.0° |
| C11 | C10 | C5 | H37 | 7.5° | 0.1° |
| C11 | C10 | C9 | H39 | 6.3° | 0.3° |
| C10 | C11 | N12 | H42 | 103.2° | 0.1° |
| C11 | N12 | C13 | H42 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 178.6° | 180.0° |
| N12 | C11 | H41 | H40 | 117.9° | 119.9° |
| N12 | C13 | C14 | N17 | 145.5° | 180.0° |
| C13 | N12 | C11 | H41 | 43.9° | 60.0° |
| C13 | N12 | C11 | H40 | 162.5° | 60.0° |
| N12 | C13 | C14 | H43 | 94.5° | 60.0° |
| N12 | C13 | C14 | H44 | 25.5° | 60.0° |
| C13 | C14 | N17 | H43 | 120.0° | 120.0° |
| C13 | C14 | N17 | H44 | 120.0° | 120.0° |
| C13 | C14 | N17 | C16 | 112.0° | 90.0° |
| C13 | C14 | N17 | C18 | 64.9° | 90.0° |
| C14 | C13 | N12 | H42 | 1.4° | 0.0° |
| C13 | C14 | H43 | H44 | 120.0° | 120.0° |
| C14 | N17 | C16 | N15 | 176.7° | 179.7° |
| C14 | N17 | C16 | C18 | 177.0° | 180.0° |
| C14 | N17 | C18 | C28 | 174.9° | 179.5° |
| C14 | N17 | C16 | H45 | 3.3° | 0.0° |
| N17 | C14 | H43 | H44 | 119.9° | 120.0° |
| C29 | N15 | C16 | N17 | 0.2° | 0.0° |
| N15 | C29 | C28 | C18 | 2.9° | 0.2° |
| N15 | C29 | C28 | C27 | 173.8° | 179.8° |
| N15 | C29 | C28 | C30 | 176.5° | 179.8° |
| N15 | C29 | C30 | C31 | 174.2° | 179.7° |
| C29 | N15 | C16 | H45 | 179.8° | 179.7° |
| N15 | C29 | C30 | H57 | 5.8° | 0.3° |
| N15 | C16 | N17 | H45 | 180.0° | 179.7° |
| N15 | C16 | N17 | C18 | 0.3° | 0.3° |
| C16 | N15 | C29 | C28 | 1.1° | 0.0° |
| C16 | N15 | C29 | C30 | 177.7° | 179.8° |
| C16 | N17 | C18 | C28 | 1.9° | 0.5° |
| C16 | N17 | C14 | H43 | 8.0° | 30.0° |
| C16 | N17 | C14 | H44 | 127.9° | 150.0° |
| N17 | C18 | C28 | C27 | 173.4° | 179.5° |
| N17 | C18 | C28 | C29 | 3.2° | 0.5° |
| C18 | N17 | C16 | H45 | 179.7° | 180.0° |
| C18 | N17 | C14 | H43 | 175.0° | 150.0° |
| C18 | N17 | C14 | H44 | 55.1° | 30.0° |
| C18 | C28 | C27 | C26 | 177.2° | 180.0° |
| C18 | C28 | C27 | C29 | 176.6° | 180.0° |
| C18 | C28 | C29 | C30 | 179.4° | 180.0° |
| C18 | C28 | C27 | H56 | 2.8° | 0.1° |
| N22 | C19 | C32 | H46 | 119.9° | 120.1° |
| N22 | C19 | C32 | H47 | 119.8° | 120.0° |
| C19 | N22 | C21 | C20 | 160.7° | 176.9° |
| C19 | N22 | C21 | C23 | 127.3° | 123.9° |
| C19 | N22 | C23 | C24 | 150.9° | 176.8° |
| N22 | C19 | C32 | C33 | 140.5° | 175.0° |
| N22 | C19 | C32 | C36 | 106.0° | 70.3° |
| N22 | C19 | H46 | H47 | 120.4° | 120.0° |
| C19 | N22 | C21 | H50 | 80.2° | 63.2° |
| C19 | N22 | C21 | H51 | 41.5° | 56.8° |
| C19 | N22 | C23 | H52 | 90.4° | 56.8° |
| C19 | N22 | C23 | H53 | 32.2° | 63.2° |
| N22 | C19 | C32 | H59 | 14.7° | 52.4° |
| C32 | C19 | N22 | C21 | 108.2° | 170.0° |
| C32 | C19 | N22 | C23 | 124.9° | 66.2° |
| C19 | C32 | C33 | C36 | 115.9° | 118.7° |
| C19 | C32 | C33 | H59 | 126.1° | 122.5° |
| C19 | C32 | C36 | H59 | 121.0° | 122.7° |
| C19 | C32 | C33 | C34 | 95.8° | 118.6° |
| C19 | C32 | C36 | O35 | 86.2° | 142.6° |
| C32 | C19 | H46 | H47 | 120.4° | 120.0° |
| C19 | C32 | C33 | H61 | 145.3° | 122.6° |
| C19 | C32 | C33 | H60 | 23.1° | 0.1° |
| C19 | C32 | C36 | H64 | 33.0° | 23.8° |
| C19 | C32 | C36 | H65 | 154.6° | 98.5° |
| N25 | C20 | C21 | H48 | 119.9° | 120.0° |
| N25 | C20 | C21 | H49 | 119.9° | 120.0° |
| N25 | C20 | C21 | N22 | 53.4° | 58.4° |
| C20 | N25 | C24 | C23 | 57.4° | 59.3° |
| C20 | N25 | C24 | C26 | 137.3° | 123.9° |
| C20 | N25 | C26 | C31 | 172.4° | 0.0° |
| C20 | N25 | C26 | C27 | 9.6° | 179.9° |
| N25 | C20 | H48 | H49 | 120.2° | 120.0° |
| N25 | C20 | C21 | H50 | 65.8° | 61.6° |
| N25 | C20 | C21 | H51 | 172.5° | 178.4° |
| C20 | N25 | C24 | H54 | 176.8° | 179.2° |
| C20 | N25 | C24 | H55 | 62.0° | 60.6° |
| C20 | C21 | N22 | H50 | 119.1° | 119.9° |
| C20 | C21 | N22 | H51 | 119.2° | 120.0° |
| C20 | C21 | N22 | C23 | 72.0° | 59.2° |
| C21 | C20 | N25 | C24 | 51.3° | 59.3° |
| C21 | C20 | N25 | C26 | 176.0° | 176.8° |
| C21 | C20 | H48 | H49 | 120.2° | 120.1° |
| C20 | C21 | H50 | H51 | 122.5° | 120.1° |
| C21 | N22 | C23 | C24 | 78.9° | 59.3° |
| C21 | N22 | C19 | H46 | 131.9° | 70.0° |
| C21 | N22 | C19 | H47 | 11.7° | 50.0° |
| N22 | C21 | C20 | H48 | 173.3° | 61.6° |
| N22 | C21 | C20 | H49 | 66.5° | 178.4° |
| N22 | C21 | H50 | H51 | 122.5° | 120.0° |
| C21 | N22 | C23 | H52 | 39.8° | 179.3° |
| C21 | N22 | C23 | H53 | 162.4° | 60.7° |
| N22 | C23 | C24 | H52 | 118.7° | 120.0° |
| N22 | C23 | C24 | H53 | 118.7° | 120.0° |
| N22 | C23 | C24 | N25 | 66.0° | 58.4° |
| C23 | N22 | C19 | H46 | 5.0° | 53.8° |
| C23 | N22 | C19 | H47 | 115.2° | 173.8° |
| C23 | N22 | C21 | H50 | 47.1° | 60.7° |
| C23 | N22 | C21 | H51 | 168.8° | 179.3° |
| N22 | C23 | H52 | H53 | 123.7° | 120.0° |
| N22 | C23 | C24 | H54 | 174.6° | 178.3° |
| N22 | C23 | C24 | H55 | 53.4° | 61.5° |
| C23 | C24 | N25 | H54 | 119.4° | 119.9° |
| C23 | C24 | N25 | H55 | 119.4° | 119.9° |
| C23 | C24 | N25 | C26 | 165.3° | 176.8° |
| C24 | C23 | H52 | H53 | 123.6° | 120.1° |
| C23 | C24 | H54 | H55 | 121.7° | 120.1° |
| C24 | N25 | C26 | C31 | 52.7° | 123.8° |
| C24 | N25 | C26 | C27 | 125.3° | 56.3° |
| C24 | N25 | C20 | H48 | 171.3° | 60.7° |
| C24 | N25 | C20 | H49 | 68.6° | 179.3° |
| N25 | C24 | C23 | H52 | 52.7° | 178.4° |
| N25 | C24 | C23 | H53 | 175.3° | 61.6° |
| N25 | C24 | H54 | H55 | 121.6° | 120.1° |
| N25 | C26 | C31 | C27 | 177.9° | 179.9° |
| N25 | C26 | C27 | C28 | 176.2° | 180.0° |
| N25 | C26 | C31 | C30 | 175.9° | 180.0° |
| C26 | N25 | C20 | H48 | 56.0° | 63.2° |
| C26 | N25 | C20 | H49 | 64.1° | 56.8° |
| C26 | N25 | C24 | H54 | 45.9° | 56.9° |
| C26 | N25 | C24 | H55 | 75.3° | 63.3° |
| N25 | C26 | C27 | H56 | 3.8° | 0.1° |
| N25 | C26 | C31 | H58 | 4.1° | 0.0° |
| C31 | C26 | C27 | C28 | 1.8° | 0.1° |
| C26 | C31 | C30 | C29 | 0.1° | 0.0° |
| C26 | C31 | C30 | H58 | 180.0° | 180.0° |
| C31 | C26 | C27 | H56 | 178.2° | 179.9° |
| C26 | C31 | C30 | H57 | 179.9° | 180.0° |
| C26 | C27 | C28 | H56 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.6° | 0.1° |
| C27 | C26 | C31 | C30 | 2.1° | 0.0° |
| C27 | C26 | C31 | H58 | 178.0° | 180.0° |
| C27 | C28 | C29 | C30 | 2.8° | 0.0° |
| C28 | C29 | C30 | C31 | 2.5° | 0.0° |
| C29 | C28 | C27 | H56 | 179.4° | 179.9° |
| C28 | C29 | C30 | H57 | 177.5° | 179.9° |
| C29 | C30 | C31 | H57 | 180.0° | 180.0° |
| C29 | C30 | C31 | H58 | 179.9° | 180.0° |
| C33 | C32 | C36 | H59 | 118.0° | 118.7° |
| C32 | C33 | C34 | H61 | 118.9° | 118.7° |
| C32 | C33 | C34 | H60 | 118.9° | 118.6° |
| C32 | C33 | C34 | O35 | 0.5° | 24.0° |
| C33 | C32 | C36 | O35 | 34.8° | 24.0° |
| C33 | C32 | C19 | H46 | 20.7° | 54.9° |
| C33 | C32 | C19 | H47 | 99.6° | 65.0° |
| C32 | C33 | H61 | H60 | 123.2° | 122.7° |
| C32 | C33 | C34 | H63 | 119.4° | 142.8° |
| C32 | C33 | C34 | H62 | 120.2° | 94.8° |
| C33 | C32 | C36 | H64 | 154.1° | 94.9° |
| C33 | C32 | C36 | H65 | 84.4° | 142.8° |
| C36 | C32 | C33 | C34 | 20.1° | 0.1° |
| C32 | C36 | O35 | C34 | 36.6° | 40.5° |
| C32 | C36 | O35 | H64 | 119.2° | 118.8° |
| C32 | C36 | O35 | H65 | 119.2° | 118.8° |
| C36 | C32 | C19 | H46 | 134.1° | 169.6° |
| C36 | C32 | C19 | H47 | 13.8° | 49.7° |
| C36 | C32 | C33 | H61 | 98.8° | 118.7° |
| C36 | C32 | C33 | H60 | 139.0° | 118.6° |
| C32 | C36 | H64 | H65 | 122.2° | 122.3° |
| C33 | C34 | O35 | H63 | 119.8° | 118.8° |
| C33 | C34 | O35 | H62 | 119.8° | 118.9° |
| C33 | C34 | O35 | C36 | 23.4° | 40.6° |
| C34 | C33 | C32 | H59 | 138.1° | 118.8° |
| C34 | C33 | H61 | H60 | 123.2° | 122.7° |
| C33 | C34 | H63 | H62 | 120.6° | 122.4° |
| O35 | C34 | C33 | H61 | 119.4° | 94.7° |
| O35 | C34 | C33 | H60 | 118.4° | 142.6° |
| O35 | C34 | H63 | H62 | 120.6° | 122.3° |
| C34 | O35 | C36 | H64 | 155.8° | 78.3° |
| C34 | O35 | C36 | H65 | 82.6° | 159.4° |
| O35 | C36 | C32 | H59 | 152.8° | 94.7° |
| C36 | O35 | C34 | H63 | 96.4° | 159.4° |
| C36 | O35 | C34 | H62 | 143.2° | 78.3° |
| O35 | C36 | H64 | H65 | 122.2° | 122.3° |
| H41 | C11 | N12 | H42 | 136.1° | 120.0° |
| H40 | C11 | N12 | H42 | 17.5° | 120.0° |
| H46 | C19 | C32 | H59 | 105.2° | 67.6° |
| H47 | C19 | C32 | H59 | 134.5° | 172.4° |
| H48 | C20 | C21 | H50 | 54.2° | 178.5° |
| H48 | C20 | C21 | H51 | 67.5° | 58.4° |
| H49 | C20 | C21 | H50 | 174.3° | 58.4° |
| H49 | C20 | C21 | H51 | 52.6° | 61.6° |
| H52 | C23 | C24 | H54 | 66.7° | 61.7° |
| H52 | C23 | C24 | H55 | 172.2° | 58.5° |
| H53 | C23 | C24 | H54 | 55.8° | 58.3° |
| H53 | C23 | C24 | H55 | 65.3° | 178.5° |
| H38 | C8 | C9 | H39 | 0.1° | 0.3° |
| H57 | C30 | C31 | H58 | 0.1° | 0.1° |
| H59 | C32 | C33 | H61 | 19.2° | 0.1° |
| H59 | C32 | C33 | H60 | 103.1° | 122.6° |
| H59 | C32 | C36 | H64 | 88.0° | 146.5° |
| H59 | C32 | C36 | H65 | 33.6° | 24.1° |
| H61 | C33 | C34 | H63 | 0.5° | 24.1° |
| H61 | C33 | C34 | H62 | 120.9° | 146.5° |
| H60 | C33 | C34 | H63 | 121.7° | 98.6° |
| H60 | C33 | C34 | H62 | 1.3° | 23.8° |
