QLD
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 | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| N23 | C24 | sing | 1.37Å | 1.36Å | Aromatic |
| N23 | C22 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | doub | 1.35Å | 1.37Å | Aromatic |
| C6 | C13 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | doub | 1.35Å | 1.33Å | |
| N21 | C17 | sing | 1.46Å | 1.46Å | |
| N21 | C15 | sing | 1.35Å | 1.35Å | |
| O42 | C41 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | CL1 | sing | 1.74Å | 1.74Å | |
| C22 | C17 | sing | 1.51Å | 1.50Å | |
| C22 | N26 | doub | 1.30Å | 1.31Å | Aromatic |
| C25 | N26 | sing | 1.35Å | 1.37Å | Aromatic |
| C25 | C27 | sing | 1.48Å | 1.47Å | |
| C14 | C15 | sing | 1.46Å | 1.48Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C20 | C38 | sing | 1.53Å | 1.54Å | |
| C41 | C39 | sing | 1.51Å | 1.52Å | |
| C41 | O43 | sing | 1.34Å | 1.34Å | |
| C39 | C38 | sing | 1.54Å | 1.54Å | |
| C39 | N40 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| O43 | C45 | sing | 1.45Å | 1.47Å | |
| C45 | C44 | sing | 1.53Å | 1.50Å | |
| N40 | C32 | sing | 1.40Å | 1.41Å | |
| 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 | 1.36Å | |
| C34 | O36 | sing | 1.35Å | 1.35Å | |
| O36 | C37 | sing | 1.45Å | 1.45Å | |
| C13 | H50 | sing | 1.08Å | 1.08Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C18 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C19 | H56 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C20 | H58 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H61 | sing | 1.08Å | 1.08Å | |
| C2 | H46 | sing | 1.08Å | 1.08Å | |
| C3 | H47 | sing | 1.08Å | 1.08Å | |
| C5 | H48 | sing | 1.08Å | 1.08Å | |
| C9 | H49 | sing | 1.08Å | 1.08Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| N21 | H59 | sing | 0.97Å | 1.00Å | |
| N23 | H60 | sing | 0.97Å | 1.00Å | |
| C28 | H62 | sing | 1.08Å | 1.08Å | |
| C29 | H63 | sing | 1.08Å | 1.08Å | |
| C31 | H64 | sing | 1.08Å | 1.08Å | |
| N33 | H65 | sing | 0.97Å | 1.00Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| N40 | H72 | sing | 0.97Å | 1.00Å | |
| C44 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | H77 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N10 | N11 | 105.6° | 110.7° |
| N10 | C9 | N8 | 109.7° | 107.3° |
| N10 | C9 | H49 | 125.1° | 126.4° |
| N10 | N11 | N12 | 110.9° | 110.2° |
| C9 | N8 | N12 | 107.5° | 105.2° |
| C9 | N8 | C7 | 132.0° | 127.4° |
| N8 | C9 | H49 | 125.2° | 126.4° |
| N11 | N12 | N8 | 106.3° | 106.6° |
| N12 | N8 | C7 | 120.4° | 127.4° |
| N8 | C7 | C2 | 119.0° | 120.1° |
| N8 | C7 | C6 | 121.0° | 120.1° |
| C7 | C2 | C3 | 120.5° | 120.1° |
| C2 | C7 | C6 | 120.0° | 119.8° |
| C7 | C2 | H46 | 119.7° | 120.0° |
| C2 | C3 | C4 | 119.3° | 120.5° |
| C3 | C2 | H46 | 119.8° | 119.9° |
| C2 | C3 | H47 | 120.4° | 119.8° |
| C7 | C6 | C13 | 123.3° | 120.3° |
| C7 | C6 | C5 | 118.9° | 119.6° |
| C24 | N23 | C22 | 107.4° | 107.3° |
| N23 | C24 | C25 | 105.7° | 106.7° |
| N23 | C24 | H61 | 127.1° | 126.7° |
| C24 | N23 | H60 | 126.3° | 126.3° |
| N23 | C22 | C17 | 123.9° | 126.6° |
| N23 | C22 | N26 | 111.6° | 109.1° |
| C22 | N23 | H60 | 126.3° | 126.4° |
| C3 | C4 | C5 | 121.5° | 120.3° |
| C3 | C4 | CL1 | 119.3° | 119.9° |
| C4 | C3 | H47 | 120.4° | 119.8° |
| C19 | C18 | C17 | 113.3° | 110.0° |
| C18 | C19 | C20 | 117.2° | 109.7° |
| C19 | C18 | H53 | 108.5° | 109.4° |
| C19 | C18 | H54 | 108.5° | 109.4° |
| C18 | C19 | H56 | 107.5° | 109.4° |
| C18 | C19 | H55 | 107.5° | 109.5° |
| C18 | C17 | N21 | 113.9° | 109.5° |
| C18 | C17 | C22 | 109.6° | 109.3° |
| C17 | C18 | H53 | 108.5° | 109.4° |
| C17 | C18 | H54 | 108.5° | 109.4° |
| C18 | C17 | H52 | 105.5° | 109.5° |
| C24 | C25 | N26 | 109.7° | 107.9° |
| C24 | C25 | C27 | 133.6° | 128.7° |
| C25 | C24 | H61 | 127.1° | 126.7° |
| C13 | C6 | C5 | 117.8° | 120.2° |
| C6 | C13 | C14 | 123.9° | 120.0° |
| C6 | C13 | H50 | 118.0° | 120.0° |
| C6 | C5 | C4 | 119.8° | 119.8° |
| C6 | C5 | H48 | 120.1° | 120.1° |
| C19 | C20 | C38 | 115.4° | 110.0° |
| C20 | C19 | H56 | 107.5° | 109.4° |
| C20 | C19 | H55 | 107.5° | 109.4° |
| C19 | C20 | H58 | 108.0° | 109.4° |
| C19 | C20 | H57 | 108.0° | 109.3° |
| C13 | C14 | C15 | 129.4° | 120.0° |
| C14 | C13 | H50 | 118.1° | 120.0° |
| C13 | C14 | H51 | 115.3° | 120.0° |
| C17 | N21 | C15 | 118.3° | 120.0° |
| N21 | C17 | C22 | 114.7° | 109.6° |
| N21 | C17 | H52 | 106.3° | 109.5° |
| C17 | N21 | H59 | 120.9° | 120.0° |
| N21 | C15 | C14 | 116.3° | 120.0° |
| N21 | C15 | O16 | 121.6° | 120.0° |
| C15 | N21 | H59 | 120.8° | 120.0° |
| O42 | C41 | C39 | 123.2° | 120.0° |
| O42 | C41 | O43 | 124.5° | 120.0° |
| C5 | C4 | CL1 | 119.2° | 119.8° |
| C4 | C5 | H48 | 120.1° | 120.1° |
| C17 | C22 | N26 | 123.7° | 124.3° |
| C22 | C17 | H52 | 105.9° | 109.5° |
| C22 | N26 | C25 | 105.5° | 109.1° |
| N26 | C25 | C27 | 116.5° | 123.4° |
| C25 | C27 | C28 | 119.2° | 122.3° |
| C25 | C27 | C32 | 121.3° | 117.6° |
| C14 | C15 | O16 | 122.0° | 120.0° |
| C15 | C14 | H51 | 115.3° | 120.0° |
| C20 | C38 | C39 | 116.1° | 109.2° |
| C38 | C20 | H58 | 108.0° | 109.4° |
| C38 | C20 | H57 | 108.0° | 109.4° |
| C20 | C38 | H70 | 107.8° | 109.6° |
| C20 | C38 | H69 | 107.8° | 109.5° |
| C39 | C41 | O43 | 112.3° | 120.0° |
| C41 | C39 | C38 | 110.9° | 109.7° |
| C41 | C39 | N40 | 113.6° | 109.7° |
| C41 | C39 | H71 | 106.4° | 109.9° |
| C41 | O43 | C45 | 117.6° | 117.1° |
| C38 | C39 | N40 | 112.0° | 108.1° |
| C39 | C38 | H70 | 107.8° | 109.5° |
| C39 | C38 | H69 | 107.8° | 109.5° |
| C38 | C39 | H71 | 106.3° | 109.7° |
| C39 | N40 | C32 | 123.1° | 121.4° |
| N40 | C39 | H71 | 107.2° | 109.8° |
| C39 | N40 | H72 | 105.9° | 119.3° |
| C28 | C27 | C32 | 119.4° | 120.1° |
| C27 | C28 | C29 | 120.8° | 119.7° |
| C27 | C28 | H62 | 119.6° | 120.2° |
| C27 | C32 | N40 | 120.2° | 117.7° |
| C27 | C32 | C31 | 118.9° | 120.0° |
| C28 | C29 | C30 | 120.2° | 120.2° |
| C29 | C28 | H62 | 119.6° | 120.1° |
| C28 | C29 | H63 | 119.9° | 119.9° |
| O43 | C45 | C44 | 109.2° | 109.5° |
| O43 | C45 | H76 | 109.5° | 109.5° |
| O43 | C45 | H77 | 109.5° | 109.4° |
| C45 | C44 | H75 | 109.5° | 109.5° |
| C45 | C44 | H74 | 109.5° | 109.5° |
| C45 | C44 | H73 | 109.5° | 109.5° |
| C44 | C45 | H76 | 109.6° | 109.5° |
| C44 | C45 | H77 | 109.5° | 109.5° |
| N40 | C32 | C31 | 120.8° | 122.3° |
| C32 | N40 | H72 | 106.0° | 119.3° |
| C32 | C31 | C30 | 121.4° | 119.6° |
| C32 | C31 | H64 | 119.3° | 120.2° |
| C29 | C30 | C31 | 119.2° | 120.3° |
| C29 | C30 | N33 | 124.5° | 119.8° |
| C30 | C29 | H63 | 119.9° | 119.9° |
| C31 | C30 | N33 | 116.2° | 119.9° |
| C30 | C31 | H64 | 119.3° | 120.1° |
| C30 | N33 | C34 | 127.3° | 120.0° |
| C30 | N33 | H65 | 116.4° | 120.0° |
| O35 | C34 | N33 | 126.2° | 120.0° |
| O35 | C34 | O36 | 124.0° | 120.0° |
| N33 | C34 | O36 | 109.8° | 120.0° |
| C34 | N33 | H65 | 116.3° | 120.0° |
| C34 | O36 | C37 | 116.1° | 117.0° |
| O36 | C37 | H66 | 109.5° | 109.5° |
| O36 | C37 | H68 | 109.5° | 109.5° |
| O36 | C37 | H67 | 109.5° | 109.5° |
| H53 | C18 | H54 | 109.5° | 109.3° |
| H56 | C19 | H55 | 109.5° | 109.4° |
| H58 | C20 | H57 | 109.5° | 109.3° |
| H66 | C37 | H68 | 109.4° | 109.4° |
| H66 | C37 | H67 | 109.4° | 109.5° |
| H68 | C37 | H67 | 109.5° | 109.5° |
| H70 | C38 | H69 | 109.5° | 109.5° |
| H75 | C44 | H74 | 109.5° | 109.5° |
| H75 | C44 | H73 | 109.5° | 109.4° |
| H74 | C44 | H73 | 109.4° | 109.5° |
| H76 | C45 | H77 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C9 | N8 | H49 | 180.0° | 179.9° |
| C9 | N10 | N11 | N12 | 0.1° | 0.0° |
| N10 | C9 | N8 | N12 | 0.0° | 0.0° |
| N10 | C9 | N8 | C7 | 177.6° | 179.7° |
| N11 | N10 | C9 | N8 | 0.0° | 0.0° |
| N10 | N11 | N12 | N8 | 0.1° | 0.0° |
| N11 | N10 | C9 | H49 | 180.0° | 179.9° |
| C9 | N8 | N12 | N11 | 0.1° | 0.1° |
| C9 | N8 | N12 | C7 | 177.9° | 179.7° |
| C9 | N8 | C7 | C2 | 59.4° | 48.2° |
| C9 | N8 | C7 | C6 | 118.6° | 131.8° |
| N11 | N12 | N8 | C7 | 178.0° | 179.7° |
| N12 | N8 | C7 | C2 | 123.3° | 131.4° |
| N12 | N8 | C7 | C6 | 58.7° | 48.6° |
| N12 | N8 | C9 | H49 | 180.0° | 180.0° |
| N8 | C7 | C2 | C6 | 178.0° | 180.0° |
| N8 | C7 | C2 | C3 | 177.6° | 179.9° |
| N8 | C7 | C6 | C13 | 4.4° | 0.0° |
| N8 | C7 | C6 | C5 | 177.9° | 180.0° |
| N8 | C7 | C2 | H46 | 2.5° | 0.3° |
| C7 | N8 | C9 | H49 | 2.4° | 0.4° |
| C7 | C2 | C3 | H46 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C7 | C6 | C13 | 177.7° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C2 | C3 | H47 | 179.5° | 180.0° |
| C3 | C2 | C7 | C6 | 0.4° | 0.0° |
| C2 | C3 | C4 | H47 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | CL1 | 179.0° | 180.0° |
| C7 | C6 | C13 | C5 | 177.8° | 180.0° |
| C7 | C6 | C13 | C14 | 119.1° | 164.4° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C7 | C6 | C13 | H50 | 60.9° | 15.9° |
| C6 | C7 | C2 | H46 | 179.5° | 179.7° |
| C7 | C6 | C5 | H48 | 179.7° | 179.9° |
| C24 | N23 | C22 | H60 | 180.0° | 180.0° |
| N23 | C24 | C25 | H61 | 180.0° | 180.0° |
| C24 | N23 | C22 | C17 | 168.3° | 179.9° |
| C24 | N23 | C22 | N26 | 1.7° | 0.2° |
| N23 | C24 | C25 | N26 | 1.3° | 0.1° |
| N23 | C24 | C25 | C27 | 172.2° | 179.8° |
| N23 | C22 | C17 | C18 | 56.4° | 152.5° |
| C22 | N23 | C24 | C25 | 0.2° | 0.1° |
| N23 | C22 | C17 | N21 | 73.2° | 87.5° |
| N23 | C22 | C17 | N26 | 168.8° | 179.9° |
| N23 | C22 | N26 | C25 | 2.4° | 0.2° |
| N23 | C22 | C17 | H52 | 169.8° | 32.6° |
| C22 | N23 | C24 | H61 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | CL1 | 178.9° | 180.0° |
| C4 | C3 | C2 | H46 | 179.5° | 179.7° |
| C3 | C4 | C5 | H48 | 179.7° | 179.9° |
| C19 | C18 | C17 | H53 | 120.6° | 120.2° |
| C19 | C18 | C17 | H54 | 120.6° | 120.1° |
| C18 | C19 | C20 | H56 | 121.1° | 120.1° |
| C18 | C19 | C20 | H55 | 121.1° | 120.1° |
| C19 | C18 | C17 | N21 | 179.4° | 61.7° |
| C19 | C18 | C17 | C22 | 49.4° | 58.3° |
| C18 | C19 | C20 | C38 | 160.5° | 176.3° |
| C19 | C18 | H53 | H54 | 118.3° | 119.7° |
| C19 | C18 | C17 | H52 | 64.3° | 178.3° |
| C18 | C19 | H56 | H55 | 116.5° | 119.9° |
| C18 | C19 | C20 | H58 | 39.6° | 63.5° |
| C18 | C19 | C20 | H57 | 78.6° | 56.2° |
| C17 | C18 | C19 | C20 | 51.1° | 135.3° |
| C18 | C17 | N21 | C22 | 127.5° | 119.8° |
| C18 | C17 | N21 | H52 | 115.8° | 120.0° |
| C18 | C17 | N21 | C15 | 161.2° | 155.0° |
| C18 | C17 | C22 | H52 | 113.4° | 119.9° |
| C18 | C17 | C22 | N26 | 112.5° | 27.6° |
| C17 | C18 | H53 | H54 | 118.2° | 119.7° |
| C17 | C18 | C19 | H56 | 172.2° | 104.7° |
| C17 | C18 | C19 | H55 | 70.0° | 15.2° |
| C18 | C17 | N21 | H59 | 18.8° | 25.0° |
| C24 | C25 | N26 | C22 | 2.3° | 0.2° |
| C24 | C25 | N26 | C27 | 174.7° | 179.9° |
| C24 | C25 | C27 | C28 | 52.1° | 0.6° |
| C24 | C25 | C27 | C32 | 131.8° | 179.2° |
| C25 | C24 | N23 | H60 | 179.8° | 180.0° |
| C6 | C13 | C14 | H50 | 180.0° | 179.7° |
| C13 | C6 | C5 | C4 | 178.2° | 180.0° |
| C6 | C13 | C14 | C15 | 177.0° | 179.7° |
| C13 | C6 | C5 | H48 | 1.9° | 0.1° |
| C6 | C13 | C14 | H51 | 3.0° | 0.2° |
| C5 | C6 | C13 | C14 | 58.7° | 15.6° |
| C6 | C5 | C4 | H48 | 180.0° | 180.0° |
| C6 | C5 | C4 | CL1 | 178.6° | 180.0° |
| C5 | C6 | C13 | H50 | 121.3° | 164.2° |
| C19 | C20 | C38 | H58 | 120.9° | 120.2° |
| C19 | C20 | C38 | H57 | 120.9° | 120.1° |
| C19 | C20 | C38 | C39 | 70.7° | 100.6° |
| C20 | C19 | C18 | H53 | 171.7° | 15.1° |
| C20 | C19 | C18 | H54 | 69.5° | 104.6° |
| C20 | C19 | H56 | H55 | 116.5° | 119.9° |
| C19 | C20 | H58 | H57 | 117.3° | 119.7° |
| C19 | C20 | C38 | H70 | 168.4° | 139.5° |
| C19 | C20 | C38 | H69 | 50.3° | 19.3° |
| C13 | C14 | C15 | N21 | 11.6° | 180.0° |
| C13 | C14 | C15 | H51 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 165.0° | 0.0° |
| C17 | N21 | C15 | H59 | 180.0° | 180.0° |
| N21 | C17 | C22 | H52 | 117.0° | 120.1° |
| N21 | C17 | C22 | N26 | 117.9° | 92.4° |
| C17 | N21 | C15 | C14 | 179.6° | 180.0° |
| C17 | N21 | C15 | O16 | 3.8° | 0.0° |
| N21 | C17 | C18 | H53 | 58.9° | 178.1° |
| N21 | C17 | C18 | H54 | 60.0° | 58.5° |
| C15 | N21 | C17 | C22 | 71.3° | 85.2° |
| N21 | C15 | C14 | O16 | 176.6° | 179.9° |
| C15 | N21 | C17 | H52 | 45.5° | 34.9° |
| N21 | C15 | C14 | H51 | 168.4° | 0.0° |
| O42 | C41 | C39 | O43 | 179.7° | 179.9° |
| O42 | C41 | C39 | C38 | 79.6° | 100.0° |
| O42 | C41 | C39 | N40 | 153.2° | 18.5° |
| O42 | C41 | O43 | C45 | 3.5° | 0.1° |
| O42 | C41 | C39 | H71 | 35.5° | 139.3° |
| C5 | C4 | C3 | H47 | 179.9° | 179.9° |
| CL1 | C4 | C3 | H47 | 1.0° | 0.0° |
| CL1 | C4 | C5 | H48 | 1.4° | 0.1° |
| C17 | C22 | N26 | C25 | 167.6° | 179.8° |
| C22 | C17 | C18 | H53 | 71.2° | 61.8° |
| C22 | C17 | C18 | H54 | 169.9° | 178.5° |
| C22 | C17 | N21 | H59 | 108.7° | 94.8° |
| C17 | C22 | N23 | H60 | 11.7° | 0.1° |
| C22 | N26 | C25 | C27 | 172.5° | 179.7° |
| N26 | C22 | C17 | H52 | 1.0° | 147.5° |
| N26 | C22 | N23 | H60 | 178.3° | 179.8° |
| N26 | C25 | C27 | C28 | 134.8° | 179.6° |
| N26 | C25 | C27 | C32 | 41.3° | 0.6° |
| N26 | C25 | C24 | H61 | 178.7° | 179.9° |
| C25 | C27 | C28 | C32 | 176.2° | 179.8° |
| C25 | C27 | C28 | C29 | 174.6° | 179.6° |
| C25 | C27 | C32 | N40 | 8.8° | 0.7° |
| C25 | C27 | C32 | C31 | 173.3° | 179.5° |
| C27 | C25 | C24 | H61 | 7.8° | 0.2° |
| C25 | C27 | C28 | H62 | 5.4° | 0.4° |
| C15 | C14 | C13 | H50 | 3.0° | 0.0° |
| C14 | C15 | N21 | H59 | 0.4° | 0.0° |
| O16 | C15 | C14 | H51 | 15.0° | 179.9° |
| O16 | C15 | N21 | H59 | 176.2° | 180.0° |
| C20 | C38 | C39 | C41 | 163.7° | 89.4° |
| C20 | C38 | C39 | H70 | 121.0° | 120.0° |
| C20 | C38 | C39 | H69 | 121.0° | 120.0° |
| C20 | C38 | C39 | N40 | 68.3° | 30.2° |
| C38 | C20 | C19 | H56 | 78.4° | 56.3° |
| C38 | C20 | C19 | H55 | 39.4° | 63.6° |
| C38 | C20 | H58 | H57 | 117.3° | 119.7° |
| C20 | C38 | H70 | H69 | 117.0° | 120.2° |
| C20 | C38 | C39 | H71 | 48.4° | 149.8° |
| C41 | C39 | C38 | N40 | 128.1° | 119.6° |
| C41 | C39 | C38 | H71 | 115.2° | 120.8° |
| C41 | C39 | N40 | H71 | 117.2° | 120.8° |
| C39 | C41 | O43 | C45 | 176.8° | 179.9° |
| C41 | C39 | N40 | C32 | 62.4° | 54.8° |
| C41 | C39 | C38 | H70 | 75.4° | 30.6° |
| C41 | C39 | C38 | H69 | 42.7° | 150.6° |
| C41 | C39 | N40 | H72 | 175.7° | 125.3° |
| O43 | C41 | C39 | C38 | 100.1° | 80.1° |
| O43 | C41 | C39 | N40 | 27.1° | 161.4° |
| C41 | O43 | C45 | C44 | 168.8° | 179.9° |
| O43 | C41 | C39 | H71 | 144.8° | 40.6° |
| C41 | O43 | C45 | H76 | 71.3° | 60.0° |
| C41 | O43 | C45 | H77 | 48.8° | 59.9° |
| C38 | C39 | N40 | H71 | 116.2° | 119.6° |
| C38 | C39 | N40 | C32 | 171.0° | 174.4° |
| C39 | C38 | C20 | H58 | 50.2° | 19.6° |
| C39 | C38 | C20 | H57 | 168.4° | 139.3° |
| C39 | C38 | H70 | H69 | 117.0° | 120.1° |
| C38 | C39 | N40 | H72 | 49.1° | 5.7° |
| C39 | N40 | C32 | C27 | 69.7° | 177.4° |
| C39 | N40 | C32 | H72 | 121.9° | 179.9° |
| C39 | N40 | C32 | C31 | 108.2° | 2.8° |
| N40 | C39 | C38 | H70 | 52.7° | 150.2° |
| N40 | C39 | C38 | H69 | 170.7° | 89.8° |
| C27 | C28 | C29 | H62 | 180.0° | 180.0° |
| C28 | C27 | C32 | N40 | 175.0° | 179.6° |
| C28 | C27 | C32 | C31 | 2.9° | 0.2° |
| C27 | C28 | C29 | C30 | 1.3° | 0.0° |
| C27 | C28 | C29 | H63 | 178.7° | 180.0° |
| C32 | C27 | C28 | C29 | 1.6° | 0.1° |
| C27 | C32 | N40 | C31 | 177.8° | 179.8° |
| C27 | C32 | C31 | C30 | 1.3° | 0.2° |
| C32 | C27 | C28 | H62 | 178.4° | 179.8° |
| C27 | C32 | C31 | H64 | 178.6° | 179.8° |
| C27 | C32 | N40 | H72 | 52.2° | 2.6° |
| C28 | C29 | C30 | H63 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 2.8° | 0.1° |
| C28 | C29 | C30 | N33 | 179.1° | 179.9° |
| O43 | C45 | C44 | H76 | 119.9° | 120.0° |
| O43 | C45 | C44 | H77 | 120.0° | 120.0° |
| O43 | C45 | C44 | H75 | 180.0° | 60.0° |
| O43 | C45 | C44 | H74 | 60.0° | 60.1° |
| O43 | C45 | C44 | H73 | 60.0° | 180.0° |
| O43 | C45 | H76 | H77 | 120.1° | 119.9° |
| C45 | C44 | H75 | H74 | 120.0° | 120.0° |
| C45 | C44 | H75 | H73 | 120.0° | 120.0° |
| C45 | C44 | H74 | H73 | 120.0° | 120.0° |
| C44 | C45 | H76 | H77 | 120.1° | 120.0° |
| N40 | C32 | C31 | C30 | 176.5° | 179.6° |
| N40 | C32 | C31 | H64 | 3.5° | 0.4° |
| C32 | N40 | C39 | H71 | 54.8° | 66.0° |
| C32 | C31 | C30 | C29 | 1.5° | 0.0° |
| C32 | C31 | C30 | H64 | 180.0° | 180.0° |
| C32 | C31 | C30 | N33 | 178.0° | 180.0° |
| C31 | C32 | N40 | H72 | 130.0° | 177.2° |
| C29 | C30 | C31 | N33 | 176.5° | 180.0° |
| C29 | C30 | N33 | C34 | 12.5° | 147.8° |
| C30 | C29 | C28 | H62 | 178.7° | 180.0° |
| C29 | C30 | C31 | H64 | 178.5° | 180.0° |
| C29 | C30 | N33 | H65 | 167.5° | 32.2° |
| C31 | C30 | N33 | C34 | 163.9° | 32.2° |
| C31 | C30 | C29 | H63 | 177.1° | 179.9° |
| C31 | C30 | N33 | H65 | 16.1° | 147.8° |
| C30 | N33 | C34 | O35 | 4.2° | 5.2° |
| C30 | N33 | C34 | H65 | 180.0° | 180.0° |
| C30 | N33 | C34 | O36 | 176.5° | 174.8° |
| N33 | C30 | C29 | H63 | 0.9° | 0.1° |
| N33 | C30 | C31 | H64 | 2.0° | 0.0° |
| O35 | C34 | N33 | O36 | 179.2° | 180.0° |
| O35 | C34 | O36 | C37 | 1.5° | 0.0° |
| O35 | C34 | N33 | H65 | 175.8° | 174.8° |
| N33 | C34 | O36 | C37 | 179.2° | 180.0° |
| O36 | C34 | N33 | H65 | 3.5° | 5.2° |
| C34 | O36 | C37 | H66 | 180.0° | 60.0° |
| C34 | O36 | C37 | H68 | 60.0° | 180.0° |
| C34 | O36 | C37 | H67 | 60.0° | 60.0° |
| O36 | C37 | H66 | H68 | 120.0° | 120.0° |
| O36 | C37 | H66 | H67 | 120.0° | 120.0° |
| O36 | C37 | H68 | H67 | 120.0° | 120.0° |
| H50 | C13 | C14 | H51 | 177.0° | 180.0° |
| H53 | C18 | C17 | H52 | 175.1° | 58.1° |
| H53 | C18 | C19 | H56 | 67.3° | 135.1° |
| H53 | C18 | C19 | H55 | 50.6° | 105.0° |
| H54 | C18 | C17 | H52 | 56.3° | 61.6° |
| H54 | C18 | C19 | H56 | 51.6° | 15.5° |
| H54 | C18 | C19 | H55 | 169.4° | 135.4° |
| H52 | C17 | N21 | H59 | 134.5° | 145.1° |
| H56 | C19 | C20 | H58 | 160.7° | 176.5° |
| H56 | C19 | C20 | H57 | 42.5° | 63.9° |
| H55 | C19 | C20 | H58 | 81.4° | 56.6° |
| H55 | C19 | C20 | H57 | 160.3° | 176.3° |
| H58 | C20 | C38 | H70 | 70.8° | 100.4° |
| H58 | C20 | C38 | H69 | 171.2° | 139.5° |
| H57 | C20 | C38 | H70 | 47.5° | 19.3° |
| H57 | C20 | C38 | H69 | 70.6° | 100.8° |
| H61 | C24 | N23 | H60 | 0.2° | 0.0° |
| H46 | C2 | C3 | H47 | 0.5° | 0.4° |
| H62 | C28 | C29 | H63 | 1.3° | 0.0° |
| H66 | C37 | H68 | H67 | 119.9° | 120.0° |
| H70 | C38 | C39 | H71 | 169.4° | 90.2° |
| H69 | C38 | C39 | H71 | 72.6° | 29.9° |
| H71 | C39 | N40 | H72 | 67.0° | 113.9° |
| H75 | C44 | H74 | H73 | 120.0° | 120.0° |
| H75 | C44 | C45 | H76 | 60.1° | 180.0° |
| H75 | C44 | C45 | H77 | 60.0° | 60.0° |
| H74 | C44 | C45 | H76 | 179.9° | 60.0° |
| H74 | C44 | C45 | H77 | 60.0° | 180.0° |
| H73 | C44 | C45 | H76 | 60.0° | 60.0° |
| H73 | C44 | C45 | H77 | 179.9° | 60.0° |
