XFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | CL10 | sing | 1.74Å | 1.72Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | CL9 | sing | 1.74Å | 1.74Å | |
| C7 | N8 | sing | 1.46Å | 1.49Å | |
| N8 | C28 | sing | 1.35Å | 1.39Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | N21 | sing | 1.40Å | 1.43Å | |
| C13 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | N20 | sing | 1.36Å | 1.43Å | |
| C16 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | N18 | sing | 1.35Å | 1.45Å | |
| C17 | O30 | doub | 1.22Å | 1.25Å | |
| N18 | C19 | sing | 1.36Å | 1.43Å | |
| N18 | C27 | sing | 1.47Å | 1.46Å | |
| C19 | N20 | doub | 1.30Å | 1.30Å | |
| N21 | C22 | sing | 1.47Å | 1.50Å | |
| N21 | C26 | sing | 1.47Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| N24 | C31 | sing | 1.35Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C28 | O29 | doub | 1.21Å | 1.27Å | |
| C31 | O32 | doub | 1.22Å | 1.26Å | |
| C31 | N33 | sing | 1.35Å | 1.42Å | |
| N33 | C34 | sing | 1.47Å | 1.50Å | |
| C34 | C35 | sing | 1.54Å | 1.58Å | |
| C34 | C38 | sing | 1.54Å | 1.55Å | |
| C35 | C36 | sing | 1.54Å | 1.53Å | |
| C36 | C37 | sing | 1.55Å | 1.56Å | |
| C37 | C38 | sing | 1.55Å | 1.55Å | |
| C11 | H45 | sing | 1.08Å | 1.08Å | |
| C13 | H46 | sing | 1.08Å | 1.08Å | |
| C19 | H48 | sing | 1.08Å | 1.08Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H49 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H54 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H55 | sing | 1.09Å | 1.10Å | |
| C26 | H56 | sing | 1.09Å | 1.10Å | |
| C27 | H58 | sing | 1.09Å | 1.10Å | |
| C27 | H57 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.08Å | 1.08Å | |
| C3 | H40 | sing | 1.08Å | 1.08Å | |
| C6 | H41 | sing | 1.08Å | 1.08Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| N8 | H44 | sing | 0.97Å | 1.00Å | |
| C14 | H47 | sing | 1.08Å | 1.08Å | |
| N33 | H59 | sing | 0.97Å | 1.00Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.6° | 120.0° |
| C2 | C1 | C7 | 118.3° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C1 | C2 | H39 | 119.9° | 120.0° |
| C6 | C1 | C7 | 120.0° | 120.0° |
| C1 | C6 | C5 | 117.2° | 120.0° |
| C1 | C6 | H41 | 121.4° | 120.0° |
| C1 | C7 | N8 | 114.8° | 109.5° |
| C1 | C7 | H43 | 108.1° | 109.5° |
| C1 | C7 | H42 | 108.1° | 109.5° |
| C2 | C3 | C4 | 117.4° | 120.0° |
| C3 | C2 | H39 | 119.9° | 120.0° |
| C2 | C3 | H40 | 121.3° | 120.0° |
| C3 | C4 | C5 | 123.0° | 120.0° |
| C3 | C4 | CL10 | 119.0° | 120.0° |
| C4 | C3 | H40 | 121.3° | 120.0° |
| C5 | C4 | CL10 | 118.1° | 120.0° |
| C4 | C5 | C6 | 120.7° | 119.9° |
| C4 | C5 | CL9 | 120.2° | 120.1° |
| C6 | C5 | CL9 | 119.1° | 120.0° |
| C5 | C6 | H41 | 121.4° | 120.0° |
| C7 | N8 | C28 | 117.2° | 120.0° |
| N8 | C7 | H43 | 108.1° | 109.5° |
| N8 | C7 | H42 | 108.1° | 109.5° |
| C7 | N8 | H44 | 121.4° | 120.0° |
| N8 | C28 | C27 | 114.7° | 120.0° |
| N8 | C28 | O29 | 121.5° | 120.0° |
| C28 | N8 | H44 | 121.4° | 120.0° |
| C12 | C11 | C14 | 120.7° | 120.9° |
| C11 | C12 | C13 | 120.4° | 120.4° |
| C11 | C12 | N21 | 120.6° | 119.8° |
| C12 | C11 | H45 | 119.7° | 119.5° |
| C11 | C14 | C15 | 119.6° | 120.0° |
| C14 | C11 | H45 | 119.6° | 119.6° |
| C11 | C14 | H47 | 120.2° | 120.0° |
| C13 | C12 | N21 | 118.8° | 119.8° |
| C12 | C13 | C16 | 119.3° | 119.3° |
| C12 | C13 | H46 | 120.3° | 120.3° |
| C12 | N21 | C22 | 113.8° | 111.0° |
| C12 | N21 | C26 | 115.6° | 111.0° |
| C13 | C16 | C15 | 120.0° | 120.0° |
| C13 | C16 | C17 | 121.5° | 121.9° |
| C16 | C13 | H46 | 120.4° | 120.4° |
| C14 | C15 | C16 | 119.9° | 119.4° |
| C14 | C15 | N20 | 117.9° | 121.6° |
| C15 | C14 | H47 | 120.2° | 120.0° |
| C16 | C15 | N20 | 122.1° | 119.0° |
| C15 | C16 | C17 | 118.4° | 118.0° |
| C15 | N20 | C19 | 119.5° | 121.6° |
| C16 | C17 | N18 | 115.6° | 117.4° |
| C16 | C17 | O30 | 124.8° | 121.3° |
| N18 | C17 | O30 | 119.6° | 121.3° |
| C17 | N18 | C19 | 121.2° | 120.6° |
| C17 | N18 | C27 | 121.8° | 119.7° |
| C19 | N18 | C27 | 116.9° | 119.7° |
| N18 | C19 | N20 | 123.2° | 123.4° |
| N18 | C19 | H48 | 118.4° | 118.3° |
| N18 | C27 | C28 | 110.2° | 109.4° |
| N18 | C27 | H58 | 109.3° | 109.5° |
| N18 | C27 | H57 | 109.3° | 109.5° |
| N20 | C19 | H48 | 118.4° | 118.3° |
| C22 | N21 | C26 | 112.5° | 111.3° |
| N21 | C22 | C23 | 106.2° | 109.3° |
| N21 | C22 | H50 | 110.3° | 109.5° |
| N21 | C22 | H49 | 110.3° | 109.5° |
| N21 | C26 | C25 | 108.9° | 109.3° |
| N21 | C26 | H55 | 109.6° | 109.5° |
| N21 | C26 | H56 | 109.6° | 109.5° |
| C22 | C23 | N24 | 109.3° | 108.5° |
| C23 | C22 | H50 | 110.3° | 109.5° |
| C23 | C22 | H49 | 110.3° | 109.5° |
| C22 | C23 | H52 | 109.5° | 109.6° |
| C22 | C23 | H51 | 109.5° | 109.6° |
| C23 | N24 | C25 | 112.4° | 118.2° |
| C23 | N24 | C31 | 118.3° | 120.9° |
| N24 | C23 | H52 | 109.5° | 109.7° |
| N24 | C23 | H51 | 109.5° | 109.6° |
| C25 | N24 | C31 | 125.5° | 120.9° |
| N24 | C25 | C26 | 112.7° | 108.5° |
| N24 | C25 | H54 | 108.7° | 109.6° |
| N24 | C25 | H53 | 108.6° | 109.7° |
| N24 | C31 | O32 | 119.6° | 120.0° |
| N24 | C31 | N33 | 119.5° | 120.0° |
| C26 | C25 | H54 | 108.7° | 109.7° |
| C26 | C25 | H53 | 108.7° | 109.6° |
| C25 | C26 | H55 | 109.6° | 109.5° |
| C25 | C26 | H56 | 109.6° | 109.5° |
| C27 | C28 | O29 | 123.8° | 120.0° |
| C28 | C27 | H58 | 109.3° | 109.5° |
| C28 | C27 | H57 | 109.3° | 109.4° |
| O32 | C31 | N33 | 120.9° | 120.1° |
| C31 | N33 | C34 | 122.9° | 120.0° |
| C31 | N33 | H59 | 118.6° | 120.0° |
| N33 | C34 | C35 | 113.5° | 110.0° |
| N33 | C34 | C38 | 112.0° | 110.0° |
| C34 | N33 | H59 | 118.5° | 120.0° |
| N33 | C34 | H60 | 109.5° | 110.0° |
| C35 | C34 | C38 | 104.6° | 106.6° |
| C34 | C35 | C36 | 104.4° | 106.6° |
| C35 | C34 | H60 | 108.4° | 110.0° |
| C34 | C35 | H62 | 110.7° | 110.0° |
| C34 | C35 | H61 | 110.7° | 110.0° |
| C34 | C38 | C37 | 107.0° | 104.2° |
| C38 | C34 | H60 | 108.7° | 110.1° |
| C34 | C38 | H67 | 110.1° | 110.5° |
| C34 | C38 | H68 | 110.1° | 110.5° |
| C35 | C36 | C37 | 106.0° | 104.2° |
| C36 | C35 | H62 | 110.7° | 110.0° |
| C36 | C35 | H61 | 110.7° | 110.1° |
| C35 | C36 | H64 | 110.3° | 110.4° |
| C35 | C36 | H63 | 110.3° | 110.5° |
| C36 | C37 | C38 | 106.9° | 102.8° |
| C37 | C36 | H64 | 110.4° | 110.5° |
| C37 | C36 | H63 | 110.4° | 110.5° |
| C36 | C37 | H66 | 110.1° | 110.8° |
| C36 | C37 | H65 | 110.1° | 110.8° |
| C38 | C37 | H66 | 110.1° | 110.8° |
| C38 | C37 | H65 | 110.1° | 110.7° |
| C37 | C38 | H67 | 110.1° | 110.5° |
| C37 | C38 | H68 | 110.1° | 110.5° |
| H50 | C22 | H49 | 109.5° | 109.5° |
| H52 | C23 | H51 | 109.5° | 109.7° |
| H54 | C25 | H53 | 109.5° | 109.7° |
| H55 | C26 | H56 | 109.5° | 109.5° |
| H58 | C27 | H57 | 109.5° | 109.4° |
| H43 | C7 | H42 | 109.5° | 109.4° |
| H62 | C35 | H61 | 109.5° | 110.1° |
| H64 | C36 | H63 | 109.4° | 110.5° |
| H66 | C37 | H65 | 109.4° | 110.8° |
| H67 | C38 | H68 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 177.0° | 179.7° |
| C1 | C2 | C3 | H39 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 1.7° | 0.0° |
| C2 | C1 | C7 | N8 | 142.1° | 90.0° |
| C1 | C2 | C3 | H40 | 179.9° | 180.0° |
| C2 | C1 | C6 | H41 | 178.3° | 180.0° |
| C2 | C1 | C7 | H43 | 21.3° | 150.0° |
| C2 | C1 | C7 | H42 | 97.2° | 30.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C1 | C6 | C5 | C4 | 1.4° | 0.0° |
| C1 | C6 | C5 | H41 | 180.0° | 180.0° |
| C1 | C6 | C5 | CL9 | 176.1° | 179.9° |
| C6 | C1 | C7 | N8 | 40.9° | 90.3° |
| C6 | C1 | C2 | H39 | 179.0° | 180.0° |
| C6 | C1 | C7 | H43 | 161.6° | 29.7° |
| C6 | C1 | C7 | H42 | 79.9° | 149.7° |
| C7 | C1 | C2 | C3 | 176.0° | 179.7° |
| C7 | C1 | C6 | C5 | 175.3° | 179.7° |
| C1 | C7 | N8 | H43 | 120.8° | 120.0° |
| C1 | C7 | N8 | H42 | 120.8° | 120.0° |
| C1 | C7 | N8 | C28 | 80.9° | 180.0° |
| C7 | C1 | C2 | H39 | 4.0° | 0.3° |
| C7 | C1 | C6 | H41 | 4.7° | 0.3° |
| C1 | C7 | H43 | H42 | 117.6° | 120.0° |
| C1 | C7 | N8 | H44 | 99.1° | 0.0° |
| C2 | C3 | C4 | H40 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | CL10 | 178.7° | 180.0° |
| C3 | C4 | C5 | CL10 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | CL9 | 177.1° | 180.0° |
| C4 | C3 | C2 | H39 | 179.9° | 180.0° |
| C4 | C5 | C6 | CL9 | 177.5° | 179.9° |
| C5 | C4 | C3 | H40 | 179.6° | 180.0° |
| C4 | C5 | C6 | H41 | 178.6° | 180.0° |
| CL10 | C4 | C5 | C6 | 179.5° | 180.0° |
| CL10 | C4 | C5 | CL9 | 2.0° | 0.0° |
| CL10 | C4 | C3 | H40 | 1.3° | 0.0° |
| CL9 | C5 | C6 | H41 | 3.9° | 0.0° |
| C7 | N8 | C28 | H44 | 180.0° | 180.0° |
| C7 | N8 | C28 | C27 | 178.8° | 180.0° |
| C7 | N8 | C28 | O29 | 2.3° | 0.0° |
| N8 | C7 | H43 | H42 | 117.6° | 120.0° |
| N8 | C28 | C27 | N18 | 145.3° | 180.0° |
| N8 | C28 | C27 | O29 | 178.9° | 179.9° |
| N8 | C28 | C27 | H58 | 25.2° | 59.9° |
| N8 | C28 | C27 | H57 | 94.6° | 60.0° |
| C28 | N8 | C7 | H43 | 39.9° | 59.9° |
| C28 | N8 | C7 | H42 | 158.3° | 60.0° |
| C12 | C11 | C14 | H45 | 180.0° | 179.7° |
| C11 | C12 | C13 | N21 | 175.4° | 180.0° |
| C11 | C12 | C13 | C16 | 2.3° | 0.0° |
| C12 | C11 | C14 | C15 | 0.5° | 0.0° |
| C11 | C12 | N21 | C22 | 51.7° | 0.0° |
| C11 | C12 | N21 | C26 | 175.9° | 124.3° |
| C11 | C12 | C13 | H46 | 177.7° | 180.0° |
| C12 | C11 | C14 | H47 | 179.6° | 180.0° |
| C14 | C11 | C12 | C13 | 1.8° | 0.0° |
| C14 | C11 | C12 | N21 | 173.6° | 180.0° |
| C11 | C14 | C15 | H47 | 180.0° | 180.0° |
| C11 | C14 | C15 | C16 | 2.1° | 0.0° |
| C11 | C14 | C15 | N20 | 175.2° | 179.9° |
| C12 | C13 | C16 | H46 | 180.0° | 180.0° |
| C12 | C13 | C16 | C15 | 0.6° | 0.0° |
| C12 | C13 | C16 | C17 | 176.2° | 180.0° |
| C13 | C12 | N21 | C22 | 123.8° | 180.0° |
| C13 | C12 | N21 | C26 | 8.7° | 55.7° |
| C13 | C12 | C11 | H45 | 178.2° | 179.7° |
| N21 | C12 | C13 | C16 | 173.1° | 180.0° |
| C12 | N21 | C22 | C26 | 133.9° | 124.1° |
| C12 | N21 | C22 | C23 | 164.0° | 172.8° |
| C12 | N21 | C26 | C25 | 171.8° | 172.8° |
| N21 | C12 | C11 | H45 | 6.4° | 0.3° |
| N21 | C12 | C13 | H46 | 6.8° | 0.0° |
| C12 | N21 | C22 | H50 | 76.5° | 52.8° |
| C12 | N21 | C22 | H49 | 44.5° | 67.2° |
| C12 | N21 | C26 | H55 | 51.9° | 67.3° |
| C12 | N21 | C26 | H56 | 68.2° | 52.8° |
| C13 | C16 | C15 | C14 | 1.6° | 0.0° |
| C13 | C16 | C15 | C17 | 176.9° | 180.0° |
| C13 | C16 | C15 | N20 | 175.6° | 180.0° |
| C13 | C16 | C17 | N18 | 175.4° | 180.0° |
| C13 | C16 | C17 | O30 | 3.8° | 0.0° |
| C14 | C15 | C16 | N20 | 177.2° | 180.0° |
| C14 | C15 | C16 | C17 | 178.5° | 180.0° |
| C14 | C15 | N20 | C19 | 177.7° | 179.9° |
| C15 | C14 | C11 | H45 | 179.5° | 179.7° |
| C15 | C16 | C17 | N18 | 1.5° | 0.0° |
| C15 | C16 | C17 | O30 | 179.3° | 180.0° |
| C16 | C15 | N20 | C19 | 0.5° | 0.0° |
| C15 | C16 | C13 | H46 | 179.4° | 180.0° |
| C16 | C15 | C14 | H47 | 177.9° | 180.0° |
| N20 | C15 | C16 | C17 | 1.3° | 0.0° |
| C15 | N20 | C19 | N18 | 0.2° | 0.1° |
| C15 | N20 | C19 | H48 | 179.8° | 180.0° |
| N20 | C15 | C14 | H47 | 4.8° | 0.1° |
| C16 | C17 | N18 | O30 | 179.3° | 180.0° |
| C16 | C17 | N18 | C19 | 0.9° | 0.0° |
| C16 | C17 | N18 | C27 | 175.6° | 180.0° |
| C17 | C16 | C13 | H46 | 3.7° | 0.1° |
| C17 | N18 | C19 | C27 | 176.7° | 179.9° |
| C17 | N18 | C19 | N20 | 0.1° | 0.1° |
| C17 | N18 | C27 | C28 | 66.9° | 90.0° |
| C17 | N18 | C19 | H48 | 179.9° | 180.0° |
| C17 | N18 | C27 | H58 | 53.2° | 30.0° |
| C17 | N18 | C27 | H57 | 173.0° | 150.0° |
| O30 | C17 | N18 | C19 | 179.8° | 179.9° |
| O30 | C17 | N18 | C27 | 3.7° | 0.0° |
| N18 | C19 | N20 | H48 | 180.0° | 179.9° |
| C19 | N18 | C27 | C28 | 109.7° | 90.0° |
| C19 | N18 | C27 | H58 | 130.2° | 149.9° |
| C19 | N18 | C27 | H57 | 10.4° | 29.9° |
| C27 | N18 | C19 | N20 | 176.6° | 180.0° |
| N18 | C27 | C28 | H58 | 120.1° | 120.1° |
| N18 | C27 | C28 | H57 | 120.1° | 120.0° |
| N18 | C27 | C28 | O29 | 33.6° | 0.1° |
| C27 | N18 | C19 | H48 | 3.4° | 0.1° |
| N18 | C27 | H58 | H57 | 119.7° | 120.0° |
| N21 | C22 | C23 | H50 | 119.5° | 119.9° |
| N21 | C22 | C23 | H49 | 119.5° | 120.0° |
| N21 | C22 | C23 | N24 | 63.4° | 53.8° |
| C22 | N21 | C26 | C25 | 55.1° | 63.1° |
| N21 | C22 | H50 | H49 | 121.5° | 120.1° |
| N21 | C22 | C23 | H52 | 176.6° | 173.6° |
| N21 | C22 | C23 | H51 | 56.6° | 65.9° |
| C22 | N21 | C26 | H55 | 175.0° | 56.8° |
| C22 | N21 | C26 | H56 | 64.8° | 176.9° |
| C26 | N21 | C22 | C23 | 62.1° | 63.1° |
| N21 | C26 | C25 | N24 | 49.0° | 53.9° |
| N21 | C26 | C25 | H55 | 119.9° | 120.0° |
| N21 | C26 | C25 | H56 | 119.9° | 120.0° |
| C26 | N21 | C22 | H50 | 57.4° | 176.9° |
| C26 | N21 | C22 | H49 | 178.5° | 56.9° |
| N21 | C26 | C25 | H54 | 169.5° | 65.8° |
| N21 | C26 | C25 | H53 | 71.5° | 173.7° |
| N21 | C26 | H55 | H56 | 120.2° | 120.1° |
| C22 | C23 | N24 | H52 | 120.0° | 119.7° |
| C22 | C23 | N24 | H51 | 120.0° | 119.7° |
| C22 | C23 | N24 | C25 | 60.9° | 51.2° |
| C22 | C23 | N24 | C31 | 98.3° | 128.8° |
| C23 | C22 | H50 | H49 | 121.5° | 120.1° |
| C22 | C23 | H52 | H51 | 120.1° | 120.4° |
| C23 | N24 | C25 | C31 | 157.4° | 180.0° |
| C23 | N24 | C25 | C26 | 53.9° | 51.2° |
| C23 | N24 | C31 | O32 | 13.9° | 5.2° |
| C23 | N24 | C31 | N33 | 165.6° | 174.8° |
| N24 | C23 | C22 | H50 | 56.1° | 173.7° |
| N24 | C23 | C22 | H49 | 177.1° | 66.2° |
| N24 | C23 | H52 | H51 | 120.1° | 120.5° |
| C23 | N24 | C25 | H54 | 174.5° | 68.5° |
| C23 | N24 | C25 | H53 | 66.5° | 171.0° |
| N24 | C25 | C26 | H54 | 120.5° | 119.7° |
| N24 | C25 | C26 | H53 | 120.5° | 119.9° |
| C25 | N24 | C31 | O32 | 142.3° | 174.7° |
| C25 | N24 | C31 | N33 | 38.2° | 5.2° |
| C25 | N24 | C23 | H52 | 179.1° | 170.9° |
| C25 | N24 | C23 | H51 | 59.1° | 68.5° |
| N24 | C25 | H54 | H53 | 118.5° | 120.5° |
| N24 | C25 | C26 | H55 | 168.9° | 66.1° |
| N24 | C25 | C26 | H56 | 70.9° | 173.8° |
| C31 | N24 | C25 | C26 | 103.5° | 128.8° |
| N24 | C31 | O32 | N33 | 179.5° | 179.9° |
| N24 | C31 | N33 | C34 | 179.5° | 175.0° |
| C31 | N24 | C23 | H52 | 21.6° | 9.1° |
| C31 | N24 | C23 | H51 | 141.7° | 111.5° |
| C31 | N24 | C25 | H54 | 17.1° | 111.5° |
| C31 | N24 | C25 | H53 | 136.1° | 9.0° |
| N24 | C31 | N33 | H59 | 0.5° | 4.9° |
| C26 | C25 | H54 | H53 | 118.5° | 120.4° |
| C25 | C26 | H55 | H56 | 120.3° | 120.0° |
| C28 | C27 | H58 | H57 | 119.7° | 119.9° |
| C27 | C28 | N8 | H44 | 1.2° | 0.0° |
| O29 | C28 | C27 | H58 | 153.7° | 120.0° |
| O29 | C28 | C27 | H57 | 86.5° | 120.1° |
| O29 | C28 | N8 | H44 | 177.7° | 180.0° |
| O32 | C31 | N33 | C34 | 0.0° | 5.1° |
| O32 | C31 | N33 | H59 | 180.0° | 175.0° |
| C31 | N33 | C34 | H59 | 180.0° | 179.9° |
| C31 | N33 | C34 | C35 | 44.8° | 155.0° |
| C31 | N33 | C34 | C38 | 163.0° | 87.9° |
| C31 | N33 | C34 | H60 | 76.4° | 33.6° |
| N33 | C34 | C35 | C38 | 122.3° | 119.3° |
| N33 | C34 | C35 | H60 | 121.9° | 121.4° |
| N33 | C34 | C38 | H60 | 121.0° | 121.4° |
| N33 | C34 | C35 | C36 | 89.6° | 119.3° |
| N33 | C34 | C38 | C37 | 101.9° | 142.9° |
| N33 | C34 | C35 | H62 | 151.2° | 121.5° |
| N33 | C34 | C35 | H61 | 29.6° | 0.0° |
| N33 | C34 | C38 | H67 | 17.8° | 24.2° |
| N33 | C34 | C38 | H68 | 138.5° | 98.5° |
| C35 | C34 | C38 | H60 | 115.6° | 119.3° |
| C34 | C35 | C36 | H62 | 119.2° | 119.2° |
| C34 | C35 | C36 | H61 | 119.2° | 119.3° |
| C34 | C35 | C36 | C37 | 31.5° | 23.6° |
| C35 | C34 | C38 | C37 | 21.5° | 23.6° |
| C35 | C34 | N33 | H59 | 135.2° | 25.0° |
| C34 | C35 | H62 | H61 | 122.4° | 121.4° |
| C34 | C35 | C36 | H64 | 151.0° | 142.3° |
| C34 | C35 | C36 | H63 | 87.9° | 95.1° |
| C35 | C34 | C38 | H67 | 141.1° | 95.0° |
| C35 | C34 | C38 | H68 | 98.2° | 142.3° |
| C38 | C34 | C35 | C36 | 32.8° | 0.0° |
| C34 | C38 | C37 | C36 | 2.3° | 38.0° |
| C34 | C38 | C37 | H67 | 119.6° | 118.7° |
| C34 | C38 | C37 | H68 | 119.6° | 118.7° |
| C38 | C34 | N33 | H59 | 17.0° | 92.2° |
| C38 | C34 | C35 | H62 | 86.4° | 119.3° |
| C38 | C34 | C35 | H61 | 152.0° | 119.3° |
| C34 | C38 | C37 | H66 | 122.0° | 80.4° |
| C34 | C38 | C37 | H65 | 117.3° | 156.3° |
| C34 | C38 | H67 | H68 | 121.1° | 122.6° |
| C35 | C36 | C37 | H64 | 119.5° | 118.6° |
| C35 | C36 | C37 | H63 | 119.4° | 118.7° |
| C35 | C36 | C37 | C38 | 18.4° | 37.9° |
| C36 | C35 | C34 | H60 | 148.6° | 119.3° |
| C36 | C35 | H62 | H61 | 122.3° | 121.5° |
| C35 | C36 | H64 | H63 | 121.6° | 122.5° |
| C35 | C36 | C37 | H66 | 101.2° | 80.4° |
| C35 | C36 | C37 | H65 | 138.0° | 156.2° |
| C36 | C37 | C38 | H66 | 119.6° | 118.3° |
| C36 | C37 | C38 | H65 | 119.6° | 118.3° |
| C37 | C36 | C35 | H62 | 87.7° | 95.6° |
| C37 | C36 | C35 | H61 | 150.8° | 142.9° |
| C37 | C36 | H64 | H63 | 121.7° | 122.7° |
| C36 | C37 | H66 | H65 | 121.2° | 123.4° |
| C36 | C37 | C38 | H67 | 121.9° | 80.7° |
| C36 | C37 | C38 | H68 | 117.3° | 156.6° |
| C37 | C38 | C34 | H60 | 137.1° | 95.7° |
| C38 | C37 | C36 | H64 | 137.9° | 156.6° |
| C38 | C37 | C36 | H63 | 101.0° | 80.8° |
| C38 | C37 | H66 | H65 | 121.2° | 123.3° |
| C37 | C38 | H67 | H68 | 121.1° | 122.6° |
| H45 | C11 | C14 | H47 | 0.4° | 0.3° |
| H50 | C22 | C23 | H52 | 63.9° | 66.5° |
| H50 | C22 | C23 | H51 | 176.1° | 54.0° |
| H49 | C22 | C23 | H52 | 57.1° | 53.6° |
| H49 | C22 | C23 | H51 | 62.9° | 174.1° |
| H54 | C25 | C26 | H55 | 70.6° | 174.2° |
| H54 | C25 | C26 | H56 | 49.6° | 54.1° |
| H53 | C25 | C26 | H55 | 48.4° | 53.7° |
| H53 | C25 | C26 | H56 | 168.6° | 66.3° |
| H39 | C2 | C3 | H40 | 0.1° | 0.0° |
| H43 | C7 | N8 | H44 | 140.1° | 120.0° |
| H42 | C7 | N8 | H44 | 21.7° | 120.0° |
| H59 | N33 | C34 | H60 | 103.6° | 146.4° |
| H60 | C34 | C35 | H62 | 29.4° | 0.1° |
| H60 | C34 | C35 | H61 | 92.2° | 121.4° |
| H60 | C34 | C38 | H67 | 103.3° | 145.6° |
| H60 | C34 | C38 | H68 | 17.5° | 23.0° |
| H62 | C35 | C36 | H64 | 31.8° | 23.1° |
| H62 | C35 | C36 | H63 | 152.9° | 145.6° |
| H61 | C35 | C36 | H64 | 89.7° | 98.4° |
| H61 | C35 | C36 | H63 | 31.3° | 24.1° |
| H64 | C36 | C37 | H66 | 18.2° | 38.3° |
| H64 | C36 | C37 | H65 | 102.6° | 85.1° |
| H63 | C36 | C37 | H66 | 139.3° | 160.9° |
| H63 | C36 | C37 | H65 | 18.5° | 37.5° |
| H66 | C37 | C38 | H67 | 118.4° | 160.9° |
| H66 | C37 | C38 | H68 | 2.3° | 38.3° |
| H65 | C37 | C38 | H67 | 2.4° | 37.6° |
| H65 | C37 | C38 | H68 | 123.1° | 85.1° |
