QLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C9 | doub | 1.31Å | 1.30Å | Aromatic |
| N10 | N11 | sing | 1.28Å | 1.36Å | Aromatic |
| C9 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.30Å | Aromatic |
| N8 | N12 | sing | 1.41Å | 1.35Å | Aromatic |
| N8 | C7 | sing | 1.40Å | 1.43Å | |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N23 | C24 | sing | 1.34Å | 1.37Å | Aromatic |
| N23 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | doub | 1.35Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.34Å | |
| C44 | O43 | sing | 1.45Å | 1.45Å | |
| O43 | C41 | sing | 1.34Å | 1.33Å | |
| N21 | C17 | sing | 1.47Å | 1.46Å | |
| N21 | C15 | sing | 1.35Å | 1.35Å | |
| C22 | C17 | sing | 1.51Å | 1.50Å | |
| C22 | N26 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | CL1 | sing | 1.74Å | 1.74Å | |
| C14 | C15 | sing | 1.46Å | 1.48Å | |
| C25 | N26 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C27 | sing | 1.48Å | 1.46Å | |
| C20 | C38 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C41 | C39 | sing | 1.51Å | 1.52Å | |
| C41 | O42 | doub | 1.21Å | 1.20Å | |
| C39 | C38 | sing | 1.54Å | 1.54Å | |
| C39 | N40 | sing | 1.46Å | 1.46Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| N40 | C32 | sing | 1.39Å | 1.42Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | N33 | sing | 1.40Å | 1.42Å | |
| O35 | C34 | doub | 1.22Å | 1.21Å | |
| N33 | C34 | sing | 1.35Å | 1.37Å | |
| C34 | O36 | sing | 1.35Å | 1.35Å | |
| O36 | C37 | sing | 1.45Å | 1.45Å | |
| C13 | H49 | sing | 1.08Å | 1.08Å | |
| C18 | H52 | sing | 1.09Å | 1.10Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.10Å | 1.10Å | |
| C24 | H59 | sing | 1.08Å | 1.08Å | |
| C2 | H45 | sing | 1.08Å | 1.08Å | |
| C3 | H46 | sing | 1.08Å | 1.08Å | |
| C5 | H47 | sing | 1.08Å | 1.08Å | |
| C9 | H48 | sing | 1.08Å | 1.08Å | |
| C14 | H50 | sing | 1.08Å | 1.08Å | |
| N21 | H58 | sing | 0.97Å | 1.00Å | |
| N26 | H74 | sing | 0.97Å | 1.00Å | |
| C28 | H60 | sing | 1.08Å | 1.08Å | |
| C29 | H61 | sing | 1.08Å | 1.08Å | |
| C31 | H62 | sing | 1.08Å | 1.08Å | |
| N33 | H63 | sing | 0.97Å | 1.00Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.10Å | 1.10Å | |
| N40 | H70 | sing | 0.97Å | 1.00Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N10 | N11 | 105.7° | 110.6° |
| N10 | C9 | N8 | 109.7° | 107.3° |
| N10 | C9 | H48 | 125.1° | 126.4° |
| N10 | N11 | N12 | 110.8° | 110.2° |
| C9 | N8 | N12 | 107.6° | 105.2° |
| C9 | N8 | C7 | 132.0° | 127.4° |
| N8 | C9 | H48 | 125.2° | 126.3° |
| N11 | N12 | N8 | 106.3° | 106.7° |
| N12 | N8 | C7 | 120.1° | 127.4° |
| N8 | C7 | C2 | 119.1° | 120.1° |
| N8 | C7 | C6 | 120.6° | 120.2° |
| C2 | C7 | C6 | 120.3° | 119.7° |
| C7 | C2 | C3 | 120.3° | 120.1° |
| C7 | C2 | H45 | 119.9° | 120.0° |
| C7 | C6 | C13 | 123.0° | 120.2° |
| C7 | C6 | C5 | 118.9° | 119.6° |
| C2 | C3 | C4 | 119.3° | 120.4° |
| C3 | C2 | H45 | 119.9° | 119.9° |
| C2 | C3 | H46 | 120.3° | 119.8° |
| C24 | N23 | C22 | 104.9° | 109.4° |
| N23 | C24 | C25 | 110.2° | 108.1° |
| N23 | C24 | H59 | 124.9° | 125.8° |
| N23 | C22 | C17 | 125.5° | 127.2° |
| N23 | C22 | N26 | 112.0° | 108.6° |
| C19 | C18 | C17 | 112.9° | 111.2° |
| C18 | C19 | C20 | 116.4° | 109.4° |
| C19 | C18 | H52 | 108.6° | 109.4° |
| C19 | C18 | H53 | 108.6° | 109.0° |
| C18 | C19 | H55 | 107.8° | 109.4° |
| C18 | C19 | H54 | 107.7° | 110.0° |
| C18 | C17 | N21 | 114.0° | 109.7° |
| C18 | C17 | C22 | 109.2° | 109.9° |
| C17 | C18 | H52 | 108.6° | 109.3° |
| C17 | C18 | H53 | 108.6° | 109.1° |
| C18 | C17 | H51 | 105.8° | 109.4° |
| C3 | C4 | C5 | 121.6° | 120.3° |
| C3 | C4 | CL1 | 119.2° | 119.8° |
| C4 | C3 | H46 | 120.4° | 119.9° |
| C13 | C6 | C5 | 117.9° | 120.2° |
| C6 | C13 | C14 | 124.5° | 120.0° |
| C6 | C13 | H49 | 117.7° | 120.0° |
| C6 | C5 | C4 | 119.7° | 119.9° |
| C6 | C5 | H47 | 120.1° | 120.1° |
| C19 | C20 | C38 | 116.1° | 110.7° |
| C20 | C19 | H55 | 107.7° | 109.1° |
| C20 | C19 | H54 | 107.7° | 109.4° |
| C19 | C20 | H57 | 107.8° | 108.9° |
| C19 | C20 | H56 | 107.8° | 108.5° |
| C24 | C25 | N26 | 105.1° | 106.1° |
| C24 | C25 | C27 | 133.6° | 130.1° |
| C25 | C24 | H59 | 124.9° | 126.0° |
| C13 | C14 | C15 | 128.9° | 120.0° |
| C14 | C13 | H49 | 117.8° | 120.1° |
| C13 | C14 | H50 | 115.6° | 120.0° |
| C44 | O43 | C41 | 117.3° | 117.0° |
| O43 | C44 | H71 | 109.5° | 109.4° |
| O43 | C44 | H72 | 109.4° | 109.4° |
| O43 | C44 | H73 | 109.5° | 109.4° |
| O43 | C41 | C39 | 111.3° | 120.0° |
| O43 | C41 | O42 | 124.3° | 120.0° |
| C17 | N21 | C15 | 118.5° | 119.9° |
| N21 | C17 | C22 | 114.3° | 109.5° |
| N21 | C17 | H51 | 106.6° | 109.1° |
| C17 | N21 | H58 | 120.7° | 120.1° |
| N21 | C15 | C14 | 116.3° | 120.0° |
| N21 | C15 | O16 | 121.5° | 120.0° |
| C15 | N21 | H58 | 120.7° | 120.0° |
| C17 | C22 | N26 | 122.1° | 124.2° |
| C22 | C17 | H51 | 106.2° | 109.3° |
| C22 | N26 | C25 | 107.7° | 106.9° |
| C22 | N26 | H74 | 126.2° | 126.4° |
| C5 | C4 | CL1 | 119.1° | 119.8° |
| C4 | C5 | H47 | 120.1° | 120.1° |
| C14 | C15 | O16 | 122.1° | 120.0° |
| C15 | C14 | H50 | 115.6° | 120.0° |
| N26 | C25 | C27 | 120.8° | 123.8° |
| C25 | N26 | H74 | 126.2° | 126.6° |
| C25 | C27 | C28 | 119.7° | 122.1° |
| C25 | C27 | C32 | 120.7° | 117.8° |
| C20 | C38 | C39 | 117.0° | 110.8° |
| C38 | C20 | H57 | 107.8° | 111.1° |
| C38 | C20 | H56 | 107.8° | 109.0° |
| C20 | C38 | H68 | 107.6° | 109.4° |
| C20 | C38 | H67 | 107.6° | 109.5° |
| C39 | C41 | O42 | 124.2° | 120.0° |
| C41 | C39 | C38 | 112.8° | 110.1° |
| C41 | C39 | N40 | 108.0° | 111.1° |
| C41 | C39 | H69 | 107.6° | 109.1° |
| C38 | C39 | N40 | 112.5° | 108.0° |
| C39 | C38 | H68 | 107.5° | 109.1° |
| C39 | C38 | H67 | 107.6° | 109.1° |
| C38 | C39 | H69 | 107.4° | 109.1° |
| C39 | N40 | C32 | 125.0° | 124.4° |
| N40 | C39 | H69 | 108.4° | 109.4° |
| C39 | N40 | H70 | 105.5° | 117.2° |
| C28 | C27 | C32 | 119.5° | 120.1° |
| C27 | C28 | C29 | 120.8° | 119.9° |
| C27 | C28 | H60 | 119.6° | 120.0° |
| C27 | C32 | N40 | 118.7° | 117.5° |
| C27 | C32 | C31 | 119.0° | 119.6° |
| C28 | C29 | C30 | 120.2° | 120.1° |
| C29 | C28 | H60 | 119.6° | 120.0° |
| C28 | C29 | H61 | 119.9° | 120.0° |
| N40 | C32 | C31 | 122.3° | 122.8° |
| C32 | N40 | H70 | 105.4° | 118.3° |
| C32 | C31 | C30 | 121.2° | 120.0° |
| C32 | C31 | H62 | 119.4° | 120.2° |
| C29 | C30 | C31 | 119.2° | 120.3° |
| C29 | C30 | N33 | 123.5° | 119.9° |
| C30 | C29 | H61 | 119.9° | 119.9° |
| C31 | C30 | N33 | 117.2° | 119.9° |
| C30 | C31 | H62 | 119.4° | 119.8° |
| C30 | N33 | C34 | 127.4° | 120.0° |
| C30 | N33 | H63 | 116.3° | 120.1° |
| O35 | C34 | N33 | 126.4° | 120.0° |
| O35 | C34 | O36 | 123.9° | 120.0° |
| N33 | C34 | O36 | 109.7° | 120.0° |
| C34 | N33 | H63 | 116.3° | 120.0° |
| C34 | O36 | C37 | 115.7° | 117.0° |
| O36 | C37 | H64 | 109.5° | 109.5° |
| O36 | C37 | H66 | 109.5° | 109.4° |
| O36 | C37 | H65 | 109.5° | 109.4° |
| H52 | C18 | H53 | 109.5° | 108.8° |
| H55 | C19 | H54 | 109.5° | 109.5° |
| H57 | C20 | H56 | 109.5° | 108.6° |
| H64 | C37 | H66 | 109.4° | 109.5° |
| H64 | C37 | H65 | 109.4° | 109.5° |
| H66 | C37 | H65 | 109.5° | 109.4° |
| H68 | C38 | H67 | 109.4° | 108.8° |
| H71 | C44 | H72 | 109.5° | 109.6° |
| H71 | C44 | H73 | 109.5° | 109.5° |
| H72 | C44 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C9 | N8 | H48 | 180.0° | 180.0° |
| C9 | N10 | N11 | N12 | 0.1° | 0.1° |
| N10 | C9 | N8 | N12 | 0.7° | 0.0° |
| N10 | C9 | N8 | C7 | 172.5° | 179.7° |
| N11 | N10 | C9 | N8 | 0.4° | 0.1° |
| N10 | N11 | N12 | N8 | 0.5° | 0.1° |
| N11 | N10 | C9 | H48 | 179.6° | 180.0° |
| C9 | N8 | N12 | N11 | 0.7° | 0.0° |
| C9 | N8 | N12 | C7 | 174.1° | 179.7° |
| C9 | N8 | C7 | C2 | 65.8° | 49.9° |
| C9 | N8 | C7 | C6 | 114.5° | 129.6° |
| N11 | N12 | N8 | C7 | 173.4° | 179.7° |
| N12 | N8 | C7 | C2 | 121.7° | 130.4° |
| N12 | N8 | C7 | C6 | 58.0° | 50.0° |
| N12 | N8 | C9 | H48 | 179.3° | 180.0° |
| N8 | C7 | C2 | C6 | 179.7° | 179.6° |
| N8 | C7 | C2 | C3 | 179.1° | 179.9° |
| N8 | C7 | C6 | C13 | 6.1° | 0.2° |
| N8 | C7 | C6 | C5 | 179.7° | 179.9° |
| N8 | C7 | C2 | H45 | 0.8° | 0.3° |
| C7 | N8 | C9 | H48 | 7.5° | 0.3° |
| C7 | C2 | C3 | H45 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.8° | 0.3° |
| C2 | C7 | C6 | C13 | 173.6° | 179.8° |
| C2 | C7 | C6 | C5 | 0.6° | 0.5° |
| C7 | C2 | C3 | H46 | 179.1° | 179.7° |
| C6 | C7 | C2 | C3 | 1.2° | 0.5° |
| C7 | C6 | C13 | C5 | 174.3° | 179.7° |
| C7 | C6 | C13 | C14 | 115.8° | 175.1° |
| C7 | C6 | C5 | C4 | 0.3° | 0.3° |
| C7 | C6 | C13 | H49 | 64.2° | 5.1° |
| C6 | C7 | C2 | H45 | 178.8° | 179.8° |
| C7 | C6 | C5 | H47 | 179.7° | 179.8° |
| C2 | C3 | C4 | H46 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | CL1 | 177.5° | 180.0° |
| N23 | C24 | C25 | H59 | 180.0° | 177.6° |
| C24 | N23 | C22 | C17 | 171.0° | 177.4° |
| C24 | N23 | C22 | N26 | 1.8° | 3.7° |
| N23 | C24 | C25 | N26 | 1.0° | 7.1° |
| N23 | C24 | C25 | C27 | 171.0° | 173.1° |
| N23 | C22 | C17 | C18 | 59.3° | 178.9° |
| C22 | N23 | C24 | C25 | 0.4° | 2.3° |
| N23 | C22 | C17 | N21 | 69.8° | 60.6° |
| N23 | C22 | C17 | N26 | 172.1° | 178.8° |
| N23 | C22 | N26 | C25 | 2.5° | 8.1° |
| N23 | C22 | C17 | H51 | 173.0° | 58.9° |
| C22 | N23 | C24 | H59 | 179.6° | 179.9° |
| N23 | C22 | N26 | H74 | 177.5° | 169.7° |
| C19 | C18 | C17 | H52 | 120.5° | 120.9° |
| C19 | C18 | C17 | H53 | 120.5° | 120.2° |
| C18 | C19 | C20 | H55 | 121.0° | 119.6° |
| C18 | C19 | C20 | H54 | 121.0° | 120.6° |
| C19 | C18 | C17 | N21 | 179.9° | 57.0° |
| C19 | C18 | C17 | C22 | 50.9° | 63.4° |
| C18 | C19 | C20 | C38 | 158.2° | 165.3° |
| C19 | C18 | H52 | H53 | 118.4° | 119.0° |
| C19 | C18 | C17 | H51 | 63.0° | 176.6° |
| C18 | C19 | H55 | H54 | 116.9° | 120.7° |
| C18 | C19 | C20 | H57 | 37.3° | 42.9° |
| C18 | C19 | C20 | H56 | 80.8° | 75.2° |
| C17 | C18 | C19 | C20 | 51.0° | 138.9° |
| C18 | C17 | N21 | C22 | 126.6° | 120.7° |
| C18 | C17 | N21 | H51 | 116.4° | 119.8° |
| C18 | C17 | N21 | C15 | 164.3° | 155.0° |
| C18 | C17 | C22 | H51 | 113.7° | 120.0° |
| C18 | C17 | C22 | N26 | 112.8° | 0.1° |
| C17 | C18 | H52 | H53 | 118.4° | 119.0° |
| C17 | C18 | C19 | H55 | 172.1° | 101.7° |
| C17 | C18 | C19 | H54 | 69.9° | 18.6° |
| C18 | C17 | N21 | H58 | 15.7° | 24.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | CL1 | 177.6° | 179.9° |
| C4 | C3 | C2 | H45 | 179.2° | 180.0° |
| C3 | C4 | C5 | H47 | 179.3° | 180.0° |
| C6 | C13 | C14 | H49 | 180.0° | 179.8° |
| C13 | C6 | C5 | C4 | 174.8° | 180.0° |
| C6 | C13 | C14 | C15 | 178.1° | 179.7° |
| C13 | C6 | C5 | H47 | 5.2° | 0.1° |
| C6 | C13 | C14 | H50 | 1.9° | 0.2° |
| C5 | C6 | C13 | C14 | 58.5° | 5.1° |
| C6 | C5 | C4 | H47 | 180.0° | 179.9° |
| C6 | C5 | C4 | CL1 | 176.9° | 180.0° |
| C5 | C6 | C13 | H49 | 121.5° | 174.7° |
| C19 | C20 | C38 | H57 | 121.0° | 121.2° |
| C19 | C20 | C38 | H56 | 121.0° | 119.3° |
| C19 | C20 | C38 | C39 | 66.1° | 110.2° |
| C20 | C19 | C18 | H52 | 171.5° | 18.1° |
| C20 | C19 | C18 | H53 | 69.5° | 100.8° |
| C20 | C19 | H55 | H54 | 116.8° | 119.8° |
| C19 | C20 | H57 | H56 | 117.0° | 118.0° |
| C19 | C20 | C38 | H68 | 172.8° | 129.5° |
| C19 | C20 | C38 | H67 | 55.0° | 10.3° |
| C24 | C25 | N26 | C22 | 2.0° | 9.3° |
| C24 | C25 | N26 | C27 | 173.3° | 179.8° |
| C24 | C25 | C27 | C28 | 51.1° | 25.1° |
| C24 | C25 | C27 | C32 | 133.4° | 153.8° |
| C24 | C25 | N26 | H74 | 178.0° | 168.5° |
| C13 | C14 | C15 | N21 | 8.5° | 180.0° |
| C13 | C14 | C15 | H50 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 168.2° | 0.0° |
| C44 | O43 | C41 | C39 | 177.9° | 180.0° |
| C44 | O43 | C41 | O42 | 5.2° | 0.0° |
| O43 | C44 | H71 | H72 | 120.0° | 120.0° |
| O43 | C44 | H71 | H73 | 120.0° | 119.9° |
| O43 | C44 | H72 | H73 | 120.0° | 120.0° |
| O43 | C41 | C39 | O42 | 177.0° | 180.0° |
| O43 | C41 | C39 | C38 | 89.2° | 80.0° |
| O43 | C41 | C39 | N40 | 145.8° | 160.4° |
| O43 | C41 | C39 | H69 | 29.0° | 39.8° |
| C41 | O43 | C44 | H71 | 180.0° | 60.0° |
| C41 | O43 | C44 | H72 | 60.0° | 60.0° |
| C41 | O43 | C44 | H73 | 60.0° | 180.0° |
| C17 | N21 | C15 | H58 | 180.0° | 179.9° |
| N21 | C17 | C22 | H51 | 117.2° | 119.5° |
| N21 | C17 | C22 | N26 | 118.1° | 120.7° |
| C17 | N21 | C15 | C14 | 177.6° | 180.0° |
| C17 | N21 | C15 | O16 | 0.9° | 0.0° |
| N21 | C17 | C18 | H52 | 59.6° | 177.8° |
| N21 | C17 | C18 | H53 | 59.4° | 63.3° |
| C15 | N21 | C17 | C22 | 69.1° | 84.4° |
| N21 | C15 | C14 | O16 | 176.7° | 180.0° |
| C15 | N21 | C17 | H51 | 47.9° | 35.2° |
| N21 | C15 | C14 | H50 | 171.5° | 0.0° |
| C17 | C22 | N26 | C25 | 170.6° | 173.0° |
| C22 | C17 | C18 | H52 | 69.6° | 57.4° |
| C22 | C17 | C18 | H53 | 171.4° | 176.3° |
| C22 | C17 | N21 | H58 | 110.9° | 95.7° |
| C17 | C22 | N26 | H74 | 9.4° | 9.2° |
| C22 | N26 | C25 | H74 | 180.0° | 177.8° |
| C22 | N26 | C25 | C27 | 171.2° | 170.9° |
| N26 | C22 | C17 | H51 | 0.9° | 119.9° |
| C5 | C4 | C3 | H46 | 179.9° | 179.9° |
| CL1 | C4 | C3 | H46 | 2.5° | 0.0° |
| CL1 | C4 | C5 | H47 | 3.1° | 0.1° |
| C15 | C14 | C13 | H49 | 1.9° | 0.1° |
| C14 | C15 | N21 | H58 | 2.4° | 0.0° |
| N26 | C25 | C27 | C28 | 137.8° | 154.7° |
| N26 | C25 | C27 | C32 | 37.7° | 26.4° |
| N26 | C25 | C24 | H59 | 179.0° | 175.3° |
| C25 | C27 | C28 | C32 | 175.6° | 178.9° |
| C25 | C27 | C28 | C29 | 174.0° | 179.5° |
| C25 | C27 | C32 | N40 | 8.5° | 3.0° |
| C25 | C27 | C32 | C31 | 173.0° | 179.9° |
| C27 | C25 | C24 | H59 | 9.0° | 4.5° |
| C27 | C25 | N26 | H74 | 8.7° | 11.3° |
| C25 | C27 | C28 | H60 | 6.0° | 0.7° |
| C20 | C38 | C39 | C41 | 164.7° | 63.6° |
| C20 | C38 | C39 | H68 | 121.1° | 120.5° |
| C20 | C38 | C39 | H67 | 121.1° | 120.7° |
| C20 | C38 | C39 | N40 | 72.8° | 57.8° |
| C38 | C20 | C19 | H55 | 80.7° | 75.1° |
| C38 | C20 | C19 | H54 | 37.2° | 44.7° |
| C38 | C20 | H57 | H56 | 117.0° | 119.8° |
| C20 | C38 | H68 | H67 | 116.6° | 119.6° |
| C20 | C38 | C39 | H69 | 46.4° | 176.6° |
| O16 | C15 | C14 | H50 | 11.8° | 180.0° |
| O16 | C15 | N21 | H58 | 179.1° | 179.9° |
| C41 | C39 | C38 | N40 | 122.5° | 121.4° |
| C41 | C39 | C38 | H69 | 118.3° | 119.8° |
| C41 | C39 | N40 | H69 | 116.3° | 120.5° |
| C41 | C39 | N40 | C32 | 61.1° | 57.3° |
| C41 | C39 | C38 | H68 | 74.2° | 56.9° |
| C41 | C39 | C38 | H67 | 43.6° | 175.7° |
| C41 | C39 | N40 | H70 | 176.8° | 126.5° |
| O42 | C41 | C39 | C38 | 93.8° | 100.0° |
| O42 | C41 | C39 | N40 | 31.1° | 19.6° |
| O42 | C41 | C39 | H69 | 148.0° | 140.2° |
| C38 | C39 | N40 | H69 | 118.5° | 118.6° |
| C38 | C39 | N40 | C32 | 173.7° | 178.2° |
| C39 | C38 | C20 | H57 | 54.9° | 11.0° |
| C39 | C38 | C20 | H56 | 172.9° | 130.5° |
| C39 | C38 | H68 | H67 | 116.6° | 119.0° |
| C38 | C39 | N40 | H70 | 51.6° | 5.7° |
| C39 | N40 | C32 | C27 | 72.1° | 163.2° |
| C39 | N40 | C32 | H70 | 122.1° | 176.1° |
| C39 | N40 | C32 | C31 | 106.4° | 19.7° |
| N40 | C39 | C38 | H68 | 48.3° | 178.3° |
| N40 | C39 | C38 | H67 | 166.1° | 62.9° |
| C27 | C28 | C29 | H60 | 180.0° | 179.8° |
| C28 | C27 | C32 | N40 | 176.0° | 176.0° |
| C28 | C27 | C32 | C31 | 2.5° | 1.2° |
| C27 | C28 | C29 | C30 | 0.7° | 0.2° |
| C27 | C28 | C29 | H61 | 179.3° | 179.6° |
| C32 | C27 | C28 | C29 | 1.5° | 0.6° |
| C27 | C32 | N40 | C31 | 178.5° | 177.1° |
| C27 | C32 | C31 | C30 | 1.3° | 1.0° |
| C32 | C27 | C28 | H60 | 178.4° | 179.6° |
| C27 | C32 | C31 | H62 | 178.7° | 179.4° |
| C27 | C32 | N40 | H70 | 50.0° | 20.6° |
| C28 | C29 | C30 | H61 | 180.0° | 179.8° |
| C28 | C29 | C30 | C31 | 1.9° | 0.3° |
| C28 | C29 | C30 | N33 | 179.5° | 179.9° |
| N40 | C32 | C31 | C30 | 177.1° | 176.0° |
| N40 | C32 | C31 | H62 | 2.9° | 3.5° |
| C32 | N40 | C39 | H69 | 55.2° | 63.2° |
| C32 | C31 | C30 | C29 | 0.9° | 0.3° |
| C32 | C31 | C30 | H62 | 180.0° | 179.5° |
| C32 | C31 | C30 | N33 | 178.6° | 179.5° |
| C31 | C32 | N40 | H70 | 131.5° | 156.4° |
| C29 | C30 | C31 | N33 | 177.7° | 179.8° |
| C29 | C30 | N33 | C34 | 8.5° | 144.8° |
| C30 | C29 | C28 | H60 | 179.3° | 179.6° |
| C29 | C30 | C31 | H62 | 179.1° | 179.8° |
| C29 | C30 | N33 | H63 | 171.5° | 35.2° |
| C31 | C30 | N33 | C34 | 169.1° | 35.4° |
| C31 | C30 | C29 | H61 | 178.1° | 179.5° |
| C31 | C30 | N33 | H63 | 10.9° | 144.6° |
| C30 | N33 | C34 | O35 | 9.3° | 4.4° |
| C30 | N33 | C34 | H63 | 180.0° | 180.0° |
| C30 | N33 | C34 | O36 | 171.6° | 175.5° |
| N33 | C30 | C29 | H61 | 0.6° | 0.3° |
| N33 | C30 | C31 | H62 | 1.4° | 0.0° |
| O35 | C34 | N33 | O36 | 179.0° | 179.9° |
| O35 | C34 | O36 | C37 | 6.5° | 0.1° |
| O35 | C34 | N33 | H63 | 170.7° | 175.6° |
| N33 | C34 | O36 | C37 | 172.6° | 180.0° |
| O36 | C34 | N33 | H63 | 8.4° | 4.5° |
| C34 | O36 | C37 | H64 | 180.0° | 180.0° |
| C34 | O36 | C37 | H66 | 60.0° | 60.0° |
| C34 | O36 | C37 | H65 | 60.0° | 59.9° |
| O36 | C37 | H64 | H66 | 120.0° | 120.0° |
| O36 | C37 | H64 | H65 | 120.0° | 120.0° |
| O36 | C37 | H66 | H65 | 120.0° | 119.9° |
| H49 | C13 | C14 | H50 | 178.1° | 180.0° |
| H52 | C18 | C17 | H51 | 176.5° | 62.5° |
| H52 | C18 | C19 | H55 | 67.4° | 137.5° |
| H52 | C18 | C19 | H54 | 50.6° | 102.2° |
| H53 | C18 | C17 | H51 | 57.5° | 56.4° |
| H53 | C18 | C19 | H55 | 51.5° | 18.6° |
| H53 | C18 | C19 | H54 | 169.5° | 138.9° |
| H51 | C17 | N21 | H58 | 132.1° | 144.7° |
| H55 | C19 | C20 | H57 | 158.3° | 162.5° |
| H55 | C19 | C20 | H56 | 40.2° | 44.4° |
| H54 | C19 | C20 | H57 | 83.7° | 77.7° |
| H54 | C19 | C20 | H56 | 158.2° | 164.2° |
| H57 | C20 | C38 | H68 | 66.2° | 109.4° |
| H57 | C20 | C38 | H67 | 176.0° | 131.4° |
| H56 | C20 | C38 | H68 | 51.8° | 10.2° |
| H56 | C20 | C38 | H67 | 66.0° | 109.0° |
| H45 | C2 | C3 | H46 | 0.8° | 0.0° |
| H60 | C28 | C29 | H61 | 0.7° | 0.6° |
| H64 | C37 | H66 | H65 | 119.9° | 120.0° |
| H68 | C38 | C39 | H69 | 167.5° | 62.9° |
| H67 | C38 | C39 | H69 | 74.7° | 55.9° |
| H69 | C39 | N40 | H70 | 66.9° | 113.0° |
| H71 | C44 | H72 | H73 | 120.0° | 120.1° |
