EEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C27 | doub | 1.31Å | 1.30Å | Aromatic |
| N28 | N29 | sing | 1.28Å | 1.36Å | Aromatic |
| C27 | N25 | sing | 1.35Å | 1.33Å | Aromatic |
| C46 | C44 | sing | 1.51Å | 1.50Å | |
| N29 | N30 | doub | 1.29Å | 1.29Å | Aromatic |
| N25 | N30 | sing | 1.41Å | 1.36Å | Aromatic |
| N25 | C19 | sing | 1.40Å | 1.43Å | |
| C44 | O45 | doub | 1.21Å | 1.22Å | |
| C44 | N42 | sing | 1.35Å | 1.37Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| N8 | N7 | doub | 1.28Å | 1.34Å | Aromatic |
| N8 | C9 | sing | 1.32Å | 1.32Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| CL2 | C9 | sing | 1.74Å | 1.74Å | |
| N7 | C5 | sing | 1.32Å | 1.33Å | Aromatic |
| C43 | N42 | sing | 1.47Å | 1.47Å | |
| C43 | C38 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| N42 | C41 | sing | 1.47Å | 1.48Å | |
| C24 | C26 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C38 | sing | 1.53Å | 1.55Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | doub | 1.35Å | 1.33Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | CL1 | sing | 1.74Å | 1.75Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| N3 | C32 | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.49Å | |
| C31 | C32 | sing | 1.46Å | 1.48Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | doub | 1.22Å | 1.23Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N18 | sing | 1.40Å | 1.43Å | |
| O35 | C34 | doub | 1.21Å | 1.21Å | |
| N18 | C34 | sing | 1.35Å | 1.37Å | |
| C34 | O36 | sing | 1.35Å | 1.34Å | |
| O36 | C37 | sing | 1.45Å | 1.45Å | |
| C13 | H52 | sing | 1.08Å | 1.08Å | |
| C17 | H55 | sing | 1.08Å | 1.08Å | |
| C16 | H54 | sing | 1.08Å | 1.08Å | |
| C20 | H57 | sing | 1.08Å | 1.08Å | |
| C21 | H58 | sing | 1.08Å | 1.08Å | |
| C23 | H59 | sing | 1.08Å | 1.08Å | |
| C11 | H51 | sing | 1.08Å | 1.08Å | |
| C27 | H61 | sing | 1.08Å | 1.08Å | |
| N3 | H47 | sing | 0.97Å | 1.00Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H50 | sing | 1.09Å | 1.10Å | |
| C6 | H49 | sing | 1.09Å | 1.10Å | |
| C14 | H53 | sing | 1.08Å | 1.08Å | |
| N18 | H56 | sing | 0.97Å | 1.00Å | |
| C26 | H60 | sing | 1.08Å | 1.08Å | |
| C31 | H62 | sing | 1.08Å | 1.08Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | H74 | sing | 1.09Å | 1.10Å | |
| C46 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | H77 | sing | 1.09Å | 1.10Å | |
| C46 | H76 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | N28 | N29 | 105.6° | 110.6° |
| N28 | C27 | N25 | 109.8° | 107.3° |
| N28 | C27 | H61 | 125.1° | 126.3° |
| N28 | N29 | N30 | 111.0° | 110.3° |
| C27 | N25 | N30 | 107.4° | 105.2° |
| C27 | N25 | C19 | 132.9° | 127.4° |
| N25 | C27 | H61 | 125.1° | 126.4° |
| C46 | C44 | O45 | 120.5° | 120.0° |
| C46 | C44 | N42 | 118.4° | 120.0° |
| C44 | C46 | H75 | 109.5° | 109.5° |
| C44 | C46 | H77 | 109.4° | 109.5° |
| C44 | C46 | H76 | 109.5° | 109.4° |
| N29 | N30 | N25 | 106.2° | 106.6° |
| N30 | N25 | C19 | 119.1° | 127.4° |
| N25 | C19 | C20 | 119.6° | 120.1° |
| N25 | C19 | C24 | 120.0° | 120.2° |
| O45 | C44 | N42 | 121.1° | 120.0° |
| C44 | N42 | C43 | 124.5° | 120.6° |
| C44 | N42 | C41 | 121.6° | 120.6° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C20 | C19 | C24 | 119.5° | 119.7° |
| C19 | C20 | H57 | 119.6° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.4° |
| C21 | C20 | H57 | 119.6° | 120.0° |
| C20 | C21 | H58 | 120.4° | 119.8° |
| N7 | N8 | C9 | 121.1° | 122.2° |
| N8 | N7 | C5 | 119.8° | 122.5° |
| N8 | C9 | CL2 | 115.5° | 120.1° |
| N8 | C9 | C10 | 122.5° | 119.7° |
| C19 | C24 | C26 | 123.0° | 120.1° |
| C19 | C24 | C23 | 119.2° | 119.6° |
| CL2 | C9 | C10 | 121.9° | 120.2° |
| N7 | C5 | C4 | 117.5° | 120.0° |
| N7 | C5 | C11 | 121.9° | 120.0° |
| N42 | C43 | C38 | 110.1° | 108.8° |
| C43 | N42 | C41 | 113.9° | 118.7° |
| N42 | C43 | H73 | 109.3° | 109.6° |
| N42 | C43 | H74 | 109.3° | 109.6° |
| C43 | C38 | C6 | 112.3° | 109.5° |
| C43 | C38 | C39 | 108.4° | 109.3° |
| C43 | C38 | H66 | 107.3° | 109.6° |
| C38 | C43 | H73 | 109.3° | 109.6° |
| C38 | C43 | H74 | 109.3° | 109.6° |
| C21 | C22 | C23 | 121.4° | 120.3° |
| C21 | C22 | CL1 | 119.5° | 119.9° |
| C22 | C21 | H58 | 120.4° | 119.8° |
| C9 | C10 | C11 | 116.0° | 117.7° |
| C9 | C10 | C12 | 126.1° | 121.1° |
| N42 | C41 | C40 | 113.1° | 108.7° |
| N42 | C41 | H72 | 108.6° | 109.6° |
| N42 | C41 | H71 | 108.6° | 109.7° |
| C26 | C24 | C23 | 117.9° | 120.2° |
| C24 | C26 | C31 | 123.1° | 119.9° |
| C24 | C26 | H60 | 118.4° | 120.0° |
| C24 | C23 | C22 | 120.0° | 119.9° |
| C24 | C23 | H59 | 120.0° | 120.1° |
| C38 | C6 | C4 | 114.9° | 109.5° |
| C6 | C38 | C39 | 114.3° | 109.5° |
| C38 | C6 | H50 | 108.1° | 109.5° |
| C38 | C6 | H49 | 108.1° | 109.5° |
| C6 | C38 | H66 | 107.0° | 109.5° |
| C6 | C4 | C5 | 108.7° | 109.5° |
| C6 | C4 | N3 | 115.3° | 109.5° |
| C6 | C4 | H48 | 107.5° | 109.5° |
| C4 | C6 | H50 | 108.1° | 109.4° |
| C4 | C6 | H49 | 108.1° | 109.5° |
| C26 | C31 | C32 | 128.2° | 120.0° |
| C31 | C26 | H60 | 118.4° | 120.1° |
| C26 | C31 | H62 | 115.9° | 120.1° |
| C38 | C39 | C40 | 111.4° | 109.5° |
| C39 | C38 | H66 | 107.3° | 109.5° |
| C38 | C39 | H68 | 109.0° | 109.5° |
| C38 | C39 | H67 | 109.0° | 109.5° |
| C4 | C5 | C11 | 120.2° | 120.0° |
| C5 | C4 | N3 | 108.8° | 109.5° |
| C5 | C4 | H48 | 107.8° | 109.4° |
| C5 | C11 | C10 | 118.7° | 117.9° |
| C5 | C11 | H51 | 120.7° | 121.1° |
| C23 | C22 | CL1 | 119.1° | 119.8° |
| C22 | C23 | H59 | 120.0° | 120.1° |
| C4 | N3 | C32 | 118.2° | 120.0° |
| C4 | N3 | H47 | 120.9° | 120.0° |
| N3 | C4 | H48 | 108.4° | 109.5° |
| N3 | C32 | C31 | 116.4° | 120.0° |
| N3 | C32 | O33 | 121.8° | 120.0° |
| C32 | N3 | H47 | 120.9° | 120.0° |
| C11 | C10 | C12 | 117.9° | 121.2° |
| C10 | C11 | H51 | 120.7° | 121.1° |
| C10 | C12 | C13 | 121.5° | 120.0° |
| C10 | C12 | C17 | 120.9° | 120.1° |
| C31 | C32 | O33 | 121.7° | 120.0° |
| C32 | C31 | H62 | 115.9° | 120.0° |
| C41 | C40 | C39 | 111.2° | 109.3° |
| C41 | C40 | H70 | 109.1° | 109.5° |
| C41 | C40 | H69 | 109.0° | 109.5° |
| C40 | C41 | H72 | 108.6° | 109.6° |
| C40 | C41 | H71 | 108.6° | 109.6° |
| C40 | C39 | H68 | 109.0° | 109.4° |
| C40 | C39 | H67 | 109.0° | 109.5° |
| C39 | C40 | H70 | 109.0° | 109.6° |
| C39 | C40 | H69 | 109.0° | 109.5° |
| C13 | C12 | C17 | 117.6° | 119.9° |
| C12 | C13 | C14 | 121.4° | 119.9° |
| C12 | C13 | H52 | 119.3° | 120.1° |
| C12 | C17 | C16 | 121.4° | 119.9° |
| C12 | C17 | H55 | 119.3° | 120.0° |
| C13 | C14 | C15 | 120.4° | 120.1° |
| C14 | C13 | H52 | 119.3° | 120.0° |
| C13 | C14 | H53 | 119.8° | 120.0° |
| C17 | C16 | C15 | 120.5° | 120.1° |
| C16 | C17 | H55 | 119.3° | 120.1° |
| C17 | C16 | H54 | 119.7° | 120.0° |
| C14 | C15 | C16 | 118.7° | 120.1° |
| C14 | C15 | N18 | 124.2° | 120.0° |
| C15 | C14 | H53 | 119.8° | 119.9° |
| C16 | C15 | N18 | 117.1° | 120.0° |
| C15 | C16 | H54 | 119.8° | 120.0° |
| C15 | N18 | C34 | 128.2° | 120.0° |
| C15 | N18 | H56 | 115.9° | 120.0° |
| O35 | C34 | N18 | 126.5° | 120.0° |
| O35 | C34 | O36 | 124.0° | 120.0° |
| N18 | C34 | O36 | 109.5° | 120.0° |
| C34 | N18 | H56 | 115.9° | 120.0° |
| C34 | O36 | C37 | 116.2° | 117.0° |
| O36 | C37 | H64 | 109.5° | 109.5° |
| O36 | C37 | H63 | 109.5° | 109.5° |
| O36 | C37 | H65 | 109.5° | 109.5° |
| H50 | C6 | H49 | 109.5° | 109.4° |
| H64 | C37 | H63 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H63 | C37 | H65 | 109.5° | 109.4° |
| H68 | C39 | H67 | 109.5° | 109.4° |
| H70 | C40 | H69 | 109.5° | 109.5° |
| H72 | C41 | H71 | 109.5° | 109.7° |
| H73 | C43 | H74 | 109.5° | 109.7° |
| H75 | C46 | H77 | 109.5° | 109.5° |
| H75 | C46 | H76 | 109.5° | 109.5° |
| H77 | C46 | H76 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C27 | N25 | H61 | 180.0° | 179.7° |
| C27 | N28 | N29 | N30 | 1.4° | 0.3° |
| N28 | C27 | N25 | N30 | 1.8° | 0.3° |
| N28 | C27 | N25 | C19 | 172.5° | 179.8° |
| N29 | N28 | C27 | N25 | 2.0° | 0.0° |
| N28 | N29 | N30 | N25 | 0.4° | 0.4° |
| N29 | N28 | C27 | H61 | 178.0° | 179.7° |
| C27 | N25 | N30 | N29 | 0.8° | 0.4° |
| C27 | N25 | N30 | C19 | 172.2° | 180.0° |
| C27 | N25 | C19 | C20 | 37.8° | 44.1° |
| C27 | N25 | C19 | C24 | 131.2° | 136.1° |
| C46 | C44 | O45 | N42 | 177.4° | 180.0° |
| C46 | C44 | N42 | C43 | 6.4° | 180.0° |
| C46 | C44 | N42 | C41 | 176.6° | 0.0° |
| C44 | C46 | H75 | H77 | 120.0° | 120.1° |
| C44 | C46 | H75 | H76 | 120.0° | 119.9° |
| C44 | C46 | H77 | H76 | 120.0° | 119.9° |
| N29 | N30 | N25 | C19 | 173.1° | 179.6° |
| N30 | N25 | C19 | C20 | 132.0° | 135.9° |
| N30 | N25 | C19 | C24 | 59.0° | 43.8° |
| N30 | N25 | C27 | H61 | 178.2° | 180.0° |
| N25 | C19 | C20 | C24 | 169.1° | 179.7° |
| N25 | C19 | C20 | C21 | 169.0° | 179.8° |
| N25 | C19 | C24 | C26 | 13.1° | 0.3° |
| N25 | C19 | C24 | C23 | 168.6° | 179.7° |
| N25 | C19 | C20 | H57 | 11.1° | 0.3° |
| C19 | N25 | C27 | H61 | 7.5° | 0.1° |
| O45 | C44 | N42 | C43 | 171.1° | 0.0° |
| O45 | C44 | N42 | C41 | 5.9° | 180.0° |
| O45 | C44 | C46 | H75 | 0.0° | 89.9° |
| O45 | C44 | C46 | H77 | 120.0° | 150.0° |
| O45 | C44 | C46 | H76 | 120.0° | 30.0° |
| C44 | N42 | C43 | C41 | 177.2° | 180.0° |
| C44 | N42 | C43 | C38 | 119.3° | 126.3° |
| C44 | N42 | C41 | C40 | 126.1° | 126.4° |
| C44 | N42 | C41 | H72 | 113.4° | 6.6° |
| C44 | N42 | C41 | H71 | 5.6° | 113.8° |
| C44 | N42 | C43 | H73 | 0.8° | 113.8° |
| C44 | N42 | C43 | H74 | 120.6° | 6.6° |
| N42 | C44 | C46 | H75 | 177.5° | 90.1° |
| N42 | C44 | C46 | H77 | 62.5° | 30.1° |
| N42 | C44 | C46 | H76 | 57.5° | 150.0° |
| C19 | C20 | C21 | H57 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C20 | C19 | C24 | C26 | 177.8° | 180.0° |
| C20 | C19 | C24 | C23 | 0.4° | 0.0° |
| C19 | C20 | C21 | H58 | 179.8° | 180.0° |
| C21 | C20 | C19 | C24 | 0.1° | 0.1° |
| C20 | C21 | C22 | H58 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.1° |
| C20 | C21 | C22 | CL1 | 178.3° | 180.0° |
| N7 | N8 | C9 | CL2 | 176.0° | 179.9° |
| N7 | N8 | C9 | C10 | 1.9° | 0.3° |
| N8 | N7 | C5 | C4 | 169.5° | 179.9° |
| N8 | N7 | C5 | C11 | 3.2° | 0.0° |
| N8 | C9 | CL2 | C10 | 177.9° | 179.7° |
| C9 | N8 | N7 | C5 | 0.5° | 0.0° |
| N8 | C9 | C10 | C11 | 1.6° | 0.6° |
| N8 | C9 | C10 | C12 | 179.4° | 179.7° |
| C19 | C24 | C26 | C23 | 178.3° | 180.0° |
| C19 | C24 | C26 | C31 | 117.5° | 164.6° |
| C19 | C24 | C23 | C22 | 0.3° | 0.1° |
| C24 | C19 | C20 | H57 | 179.8° | 180.0° |
| C19 | C24 | C23 | H59 | 179.7° | 180.0° |
| C19 | C24 | C26 | H60 | 62.5° | 15.5° |
| CL2 | C9 | C10 | C11 | 176.1° | 179.7° |
| CL2 | C9 | C10 | C12 | 1.7° | 0.0° |
| N7 | C5 | C4 | C6 | 60.5° | 54.9° |
| N7 | C5 | C4 | C11 | 172.8° | 179.9° |
| N7 | C5 | C4 | N3 | 65.8° | 175.0° |
| N7 | C5 | C11 | C10 | 3.4° | 0.3° |
| N7 | C5 | C11 | H51 | 176.7° | 180.0° |
| N7 | C5 | C4 | H48 | 176.8° | 65.0° |
| N42 | C43 | C38 | H73 | 120.1° | 119.8° |
| N42 | C43 | C38 | H74 | 120.1° | 119.8° |
| N42 | C43 | C38 | C6 | 172.2° | 174.6° |
| N42 | C43 | C38 | C39 | 60.6° | 54.7° |
| C43 | N42 | C41 | C40 | 51.2° | 53.6° |
| N42 | C43 | C38 | H66 | 54.9° | 65.3° |
| C43 | N42 | C41 | H72 | 69.3° | 173.4° |
| C43 | N42 | C41 | H71 | 171.7° | 66.2° |
| N42 | C43 | H73 | H74 | 119.7° | 120.4° |
| C38 | C43 | N42 | C41 | 57.9° | 53.7° |
| C43 | C38 | C6 | C39 | 123.9° | 119.8° |
| C43 | C38 | C6 | H66 | 117.5° | 120.1° |
| C43 | C38 | C6 | C4 | 178.5° | 65.2° |
| C43 | C38 | C39 | H66 | 115.6° | 120.0° |
| C43 | C38 | C39 | C40 | 58.9° | 61.4° |
| C43 | C38 | C6 | H50 | 60.7° | 174.8° |
| C43 | C38 | C6 | H49 | 57.7° | 54.8° |
| C43 | C38 | C39 | H68 | 179.1° | 178.6° |
| C43 | C38 | C39 | H67 | 61.4° | 58.7° |
| C38 | C43 | H73 | H74 | 119.7° | 120.3° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | CL1 | 178.6° | 180.0° |
| C22 | C21 | C20 | H57 | 179.8° | 180.0° |
| C21 | C22 | C23 | H59 | 179.9° | 179.9° |
| C9 | C10 | C11 | C5 | 1.0° | 0.5° |
| C9 | C10 | C11 | C12 | 178.0° | 179.7° |
| C9 | C10 | C12 | C13 | 39.9° | 50.0° |
| C9 | C10 | C12 | C17 | 139.8° | 130.0° |
| C9 | C10 | C11 | H51 | 179.1° | 179.8° |
| N42 | C41 | C40 | H72 | 120.6° | 119.8° |
| N42 | C41 | C40 | H71 | 120.5° | 119.9° |
| N42 | C41 | C40 | C39 | 47.4° | 54.6° |
| N42 | C41 | C40 | H70 | 167.7° | 65.4° |
| N42 | C41 | C40 | H69 | 72.8° | 174.6° |
| N42 | C41 | H72 | H71 | 118.3° | 120.4° |
| C41 | N42 | C43 | H73 | 178.0° | 66.2° |
| C41 | N42 | C43 | H74 | 62.1° | 173.4° |
| C24 | C26 | C31 | H60 | 180.0° | 180.0° |
| C26 | C24 | C23 | C22 | 178.0° | 179.9° |
| C24 | C26 | C31 | C32 | 177.4° | 180.0° |
| C26 | C24 | C23 | H59 | 2.0° | 0.0° |
| C24 | C26 | C31 | H62 | 2.6° | 0.0° |
| C23 | C24 | C26 | C31 | 60.8° | 15.4° |
| C24 | C23 | C22 | H59 | 180.0° | 179.9° |
| C24 | C23 | C22 | CL1 | 178.6° | 180.0° |
| C23 | C24 | C26 | H60 | 119.2° | 164.6° |
| C38 | C6 | C4 | H50 | 120.8° | 120.0° |
| C38 | C6 | C4 | H49 | 120.8° | 120.0° |
| C6 | C38 | C39 | H66 | 118.4° | 120.1° |
| C38 | C6 | C4 | C5 | 61.1° | 175.0° |
| C38 | C6 | C4 | N3 | 176.4° | 65.0° |
| C6 | C38 | C39 | C40 | 175.1° | 178.7° |
| C38 | C6 | C4 | H48 | 55.4° | 55.1° |
| C38 | C6 | H50 | H49 | 117.5° | 120.0° |
| C6 | C38 | C39 | H68 | 54.9° | 58.7° |
| C6 | C38 | C39 | H67 | 64.6° | 61.3° |
| C6 | C38 | C43 | H73 | 52.1° | 54.8° |
| C6 | C38 | C43 | H74 | 67.7° | 65.6° |
| C4 | C6 | C38 | C39 | 54.6° | 175.0° |
| C6 | C4 | C5 | N3 | 126.3° | 120.0° |
| C6 | C4 | C5 | H48 | 116.3° | 120.0° |
| C6 | C4 | C5 | C11 | 112.2° | 125.0° |
| C6 | C4 | N3 | H48 | 120.5° | 120.1° |
| C6 | C4 | N3 | C32 | 153.9° | 85.0° |
| C6 | C4 | N3 | H47 | 26.1° | 95.0° |
| C4 | C6 | H50 | H49 | 117.5° | 120.0° |
| C4 | C6 | C38 | H66 | 64.0° | 54.9° |
| C26 | C31 | C32 | N3 | 9.3° | 180.0° |
| C26 | C31 | C32 | H62 | 180.0° | 180.0° |
| C26 | C31 | C32 | O33 | 167.5° | 0.0° |
| C38 | C39 | C40 | C41 | 52.3° | 61.4° |
| C38 | C39 | C40 | H68 | 120.3° | 120.0° |
| C38 | C39 | C40 | H67 | 120.3° | 120.1° |
| C39 | C38 | C6 | H50 | 175.4° | 55.0° |
| C39 | C38 | C6 | H49 | 66.2° | 65.0° |
| C38 | C39 | H68 | H67 | 119.1° | 120.0° |
| C38 | C39 | C40 | H70 | 172.6° | 58.5° |
| C38 | C39 | C40 | H69 | 67.9° | 178.7° |
| C39 | C38 | C43 | H73 | 179.3° | 65.2° |
| C39 | C38 | C43 | H74 | 59.5° | 174.4° |
| C5 | C4 | N3 | H48 | 117.0° | 119.9° |
| C5 | C4 | N3 | C32 | 83.6° | 155.0° |
| C4 | C5 | C11 | C10 | 169.1° | 179.6° |
| C4 | C5 | C11 | H51 | 10.9° | 0.0° |
| C5 | C4 | N3 | H47 | 96.4° | 25.0° |
| C5 | C4 | C6 | H50 | 59.7° | 65.0° |
| C5 | C4 | C6 | H49 | 178.1° | 54.9° |
| C11 | C5 | C4 | N3 | 121.5° | 5.0° |
| C5 | C11 | C10 | H51 | 180.0° | 179.7° |
| C5 | C11 | C10 | C12 | 177.0° | 179.8° |
| C11 | C5 | C4 | H48 | 4.1° | 115.0° |
| C23 | C22 | C21 | H58 | 179.7° | 180.0° |
| CL1 | C22 | C21 | H58 | 1.7° | 0.1° |
| CL1 | C22 | C23 | H59 | 1.4° | 0.0° |
| C4 | N3 | C32 | H47 | 180.0° | 180.0° |
| C4 | N3 | C32 | C31 | 179.0° | 180.0° |
| C4 | N3 | C32 | O33 | 4.3° | 0.0° |
| N3 | C4 | C6 | H50 | 62.8° | 55.0° |
| N3 | C4 | C6 | H49 | 55.7° | 175.0° |
| N3 | C32 | C31 | O33 | 176.7° | 180.0° |
| C32 | N3 | C4 | H48 | 33.4° | 35.0° |
| N3 | C32 | C31 | H62 | 170.7° | 0.0° |
| C11 | C10 | C12 | C13 | 142.3° | 129.7° |
| C11 | C10 | C12 | C17 | 37.9° | 50.3° |
| C10 | C12 | C13 | C17 | 179.8° | 179.9° |
| C10 | C12 | C13 | C14 | 177.7° | 180.0° |
| C10 | C12 | C17 | C16 | 179.7° | 180.0° |
| C10 | C12 | C13 | H52 | 2.3° | 0.3° |
| C10 | C12 | C17 | H55 | 0.3° | 0.3° |
| C12 | C10 | C11 | H51 | 2.9° | 0.1° |
| C31 | C32 | N3 | H47 | 1.0° | 0.0° |
| C32 | C31 | C26 | H60 | 2.6° | 0.0° |
| C41 | C40 | C39 | H70 | 120.3° | 120.0° |
| C41 | C40 | C39 | H69 | 120.2° | 119.9° |
| C41 | C40 | C39 | H68 | 172.6° | 178.6° |
| C41 | C40 | C39 | H67 | 68.0° | 58.6° |
| C41 | C40 | H70 | H69 | 119.2° | 120.0° |
| C40 | C41 | H72 | H71 | 118.4° | 120.3° |
| O33 | C32 | N3 | H47 | 175.7° | 180.0° |
| O33 | C32 | C31 | H62 | 12.5° | 180.0° |
| C40 | C39 | C38 | H66 | 56.7° | 58.6° |
| C40 | C39 | H68 | H67 | 119.1° | 120.0° |
| C39 | C40 | H70 | H69 | 119.2° | 120.2° |
| C39 | C40 | C41 | H72 | 73.1° | 174.4° |
| C39 | C40 | C41 | H71 | 168.0° | 65.2° |
| C12 | C13 | C14 | H52 | 180.0° | 179.7° |
| C13 | C12 | C17 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 2.3° | 0.2° |
| C13 | C12 | C17 | H55 | 179.9° | 179.7° |
| C12 | C13 | C14 | H53 | 177.7° | 179.7° |
| C17 | C12 | C13 | C14 | 2.1° | 0.0° |
| C12 | C17 | C16 | H55 | 180.0° | 179.7° |
| C12 | C17 | C16 | C15 | 1.6° | 0.2° |
| C17 | C12 | C13 | H52 | 177.9° | 179.7° |
| C12 | C17 | C16 | H54 | 178.4° | 179.7° |
| C13 | C14 | C15 | H53 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.4° |
| C13 | C14 | C15 | N18 | 178.2° | 180.0° |
| C17 | C16 | C15 | C14 | 1.4° | 0.4° |
| C17 | C16 | C15 | H54 | 180.0° | 180.0° |
| C17 | C16 | C15 | N18 | 176.4° | 180.0° |
| C14 | C15 | C16 | N18 | 177.9° | 179.6° |
| C14 | C15 | N18 | C34 | 4.9° | 35.8° |
| C15 | C14 | C13 | H52 | 177.7° | 179.9° |
| C14 | C15 | C16 | H54 | 178.6° | 179.5° |
| C14 | C15 | N18 | H56 | 175.1° | 144.2° |
| C16 | C15 | N18 | C34 | 172.9° | 144.7° |
| C15 | C16 | C17 | H55 | 178.4° | 179.9° |
| C16 | C15 | C14 | H53 | 179.5° | 179.5° |
| C16 | C15 | N18 | H56 | 7.1° | 35.4° |
| C15 | N18 | C34 | O35 | 2.4° | 4.5° |
| C15 | N18 | C34 | H56 | 180.0° | 180.0° |
| C15 | N18 | C34 | O36 | 178.3° | 175.5° |
| N18 | C15 | C16 | H54 | 3.6° | 0.1° |
| N18 | C15 | C14 | H53 | 1.8° | 0.1° |
| O35 | C34 | N18 | O36 | 179.2° | 179.9° |
| O35 | C34 | O36 | C37 | 4.4° | 0.0° |
| O35 | C34 | N18 | H56 | 177.5° | 175.4° |
| N18 | C34 | O36 | C37 | 174.9° | 180.0° |
| O36 | C34 | N18 | H56 | 1.7° | 4.5° |
| C34 | O36 | C37 | H64 | 180.0° | 60.0° |
| C34 | O36 | C37 | H63 | 60.0° | 60.0° |
| C34 | O36 | C37 | H65 | 60.0° | 180.0° |
| O36 | C37 | H64 | H63 | 120.0° | 120.0° |
| O36 | C37 | H64 | H65 | 120.0° | 120.0° |
| O36 | C37 | H63 | H65 | 120.0° | 120.0° |
| H52 | C13 | C14 | H53 | 2.3° | 0.0° |
| H55 | C17 | C16 | H54 | 1.6° | 0.0° |
| H57 | C20 | C21 | H58 | 0.2° | 0.1° |
| H47 | N3 | C4 | H48 | 146.6° | 144.9° |
| H48 | C4 | C6 | H50 | 176.2° | 175.1° |
| H48 | C4 | C6 | H49 | 65.4° | 65.0° |
| H50 | C6 | C38 | H66 | 56.8° | 65.1° |
| H49 | C6 | C38 | H66 | 175.2° | 175.0° |
| H60 | C26 | C31 | H62 | 177.4° | 179.9° |
| H64 | C37 | H63 | H65 | 120.0° | 120.0° |
| H66 | C38 | C39 | H68 | 63.6° | 61.4° |
| H66 | C38 | C39 | H67 | 177.0° | 178.7° |
| H66 | C38 | C43 | H73 | 65.2° | 174.9° |
| H66 | C38 | C43 | H74 | 175.0° | 54.5° |
| H68 | C39 | C40 | H70 | 67.1° | 61.5° |
| H68 | C39 | C40 | H69 | 52.4° | 58.7° |
| H67 | C39 | C40 | H70 | 52.3° | 178.6° |
| H67 | C39 | C40 | H69 | 171.8° | 61.3° |
| H70 | C40 | C41 | H72 | 47.2° | 54.4° |
| H70 | C40 | C41 | H71 | 71.8° | 174.8° |
| H69 | C40 | C41 | H72 | 166.7° | 65.6° |
| H69 | C40 | C41 | H71 | 47.7° | 54.7° |
| H75 | C46 | H77 | H76 | 120.0° | 120.0° |
