BNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | N43 | sing | 1.47Å | 1.47Å | |
| N43 | C42 | sing | 1.47Å | 1.48Å | |
| N43 | C44 | sing | 1.47Å | 1.48Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C41 | N39 | sing | 1.47Å | 1.48Å | |
| C45 | N39 | sing | 1.47Å | 1.48Å | |
| N39 | C38 | sing | 1.35Å | 1.36Å | |
| C38 | O40 | doub | 1.22Å | 1.22Å | |
| C38 | C35 | sing | 1.47Å | 1.49Å | |
| C36 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C37 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | N31 | sing | 1.39Å | 1.39Å | |
| N31 | C27 | sing | 1.39Å | 1.40Å | |
| C27 | N28 | doub | 1.32Å | 1.32Å | |
| C27 | C26 | sing | 1.47Å | 1.47Å | |
| O29 | C26 | doub | 1.22Å | 1.22Å | |
| N28 | C23 | sing | 1.34Å | 1.35Å | |
| C26 | N25 | sing | 1.35Å | 1.36Å | |
| C23 | C1 | sing | 1.48Å | 1.50Å | |
| C23 | C24 | doub | 1.36Å | 1.37Å | |
| N25 | C24 | sing | 1.36Å | 1.37Å | |
| N25 | C30 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.40Å | 1.40Å | |
| N7 | C9 | sing | 1.35Å | 1.36Å | |
| C9 | O11 | doub | 1.22Å | 1.22Å | |
| C9 | C10 | sing | 1.48Å | 1.48Å | |
| C16 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | N17 | sing | 1.39Å | 1.41Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | N17 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N17 | C18 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| N31 | H26 | sing | 0.97Å | 1.00Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | N43 | C42 | 106.5° | 111.0° |
| C46 | N43 | C44 | 106.1° | 111.0° |
| N43 | C46 | H40 | 109.5° | 109.5° |
| N43 | C46 | H41 | 109.5° | 109.4° |
| N43 | C46 | H42 | 109.5° | 109.4° |
| C42 | N43 | C44 | 109.9° | 111.3° |
| N43 | C42 | C41 | 110.2° | 109.3° |
| N43 | C42 | H33 | 109.3° | 109.5° |
| N43 | C42 | H34 | 109.3° | 109.5° |
| N43 | C44 | C45 | 110.8° | 109.4° |
| N43 | C44 | H36 | 109.1° | 109.5° |
| N43 | C44 | H37 | 109.1° | 109.5° |
| C42 | C41 | N39 | 108.7° | 108.5° |
| C42 | C41 | H31 | 109.7° | 109.6° |
| C42 | C41 | H32 | 109.7° | 109.8° |
| C41 | C42 | H33 | 109.3° | 109.5° |
| C41 | C42 | H34 | 109.3° | 109.5° |
| C44 | C45 | N39 | 108.2° | 108.8° |
| C45 | C44 | H36 | 109.1° | 109.5° |
| C45 | C44 | H37 | 109.1° | 109.3° |
| C44 | C45 | H38 | 109.8° | 109.7° |
| C44 | C45 | H39 | 109.8° | 109.6° |
| C41 | N39 | C45 | 115.3° | 118.2° |
| C41 | N39 | C38 | 121.1° | 120.9° |
| N39 | C41 | H31 | 109.7° | 109.7° |
| N39 | C41 | H32 | 109.7° | 109.6° |
| C45 | N39 | C38 | 123.6° | 120.9° |
| N39 | C45 | H38 | 109.8° | 109.7° |
| N39 | C45 | H39 | 109.8° | 109.3° |
| N39 | C38 | O40 | 118.8° | 120.0° |
| N39 | C38 | C35 | 123.2° | 120.0° |
| O40 | C38 | C35 | 118.0° | 120.0° |
| C38 | C35 | C36 | 120.4° | 120.0° |
| C38 | C35 | C34 | 120.3° | 120.1° |
| C35 | C36 | C37 | 120.1° | 119.9° |
| C36 | C35 | C34 | 119.2° | 119.9° |
| C35 | C36 | H29 | 120.0° | 120.1° |
| C36 | C37 | C32 | 120.6° | 120.0° |
| C37 | C36 | H29 | 120.0° | 120.0° |
| C36 | C37 | H30 | 119.7° | 120.0° |
| C35 | C34 | C33 | 120.3° | 119.9° |
| C35 | C34 | H28 | 119.8° | 120.0° |
| C37 | C32 | C33 | 119.4° | 120.2° |
| C37 | C32 | N31 | 117.2° | 119.9° |
| C32 | C37 | H30 | 119.7° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.1° |
| C34 | C33 | H27 | 119.9° | 119.9° |
| C33 | C34 | H28 | 119.9° | 120.1° |
| C33 | C32 | N31 | 123.3° | 119.9° |
| C32 | C33 | H27 | 119.8° | 120.0° |
| C32 | N31 | C27 | 129.0° | 120.0° |
| C32 | N31 | H26 | 115.5° | 120.0° |
| N31 | C27 | N28 | 124.6° | 120.4° |
| N31 | C27 | C26 | 116.6° | 120.4° |
| C27 | N31 | H26 | 115.5° | 120.0° |
| N28 | C27 | C26 | 118.7° | 119.2° |
| C27 | N28 | C23 | 121.6° | 120.6° |
| C27 | C26 | O29 | 118.8° | 120.7° |
| C27 | C26 | N25 | 119.0° | 118.6° |
| O29 | C26 | N25 | 122.2° | 120.7° |
| N28 | C23 | C1 | 118.9° | 119.2° |
| N28 | C23 | C24 | 120.3° | 121.5° |
| C26 | N25 | C24 | 118.9° | 119.3° |
| C26 | N25 | C30 | 120.8° | 120.4° |
| C1 | C23 | C24 | 120.8° | 119.3° |
| C23 | C1 | C2 | 117.3° | 120.0° |
| C23 | C1 | C6 | 124.3° | 120.1° |
| C23 | C24 | N25 | 121.4° | 120.8° |
| C23 | C24 | H20 | 119.3° | 119.6° |
| C24 | N25 | C30 | 120.3° | 120.4° |
| N25 | C24 | H20 | 119.3° | 119.6° |
| N25 | C30 | H23 | 109.5° | 109.5° |
| N25 | C30 | H24 | 109.4° | 109.4° |
| N25 | C30 | H25 | 109.5° | 109.4° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C2 | C1 | C6 | 118.4° | 119.8° |
| C1 | C2 | H1 | 119.4° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.1° |
| C3 | C2 | H1 | 119.4° | 120.0° |
| C2 | C3 | H2 | 119.7° | 119.9° |
| C1 | C6 | C8 | 121.2° | 120.1° |
| C1 | C6 | C5 | 119.9° | 119.8° |
| C3 | C4 | C5 | 119.6° | 120.2° |
| C4 | C3 | H2 | 119.7° | 119.9° |
| C3 | C4 | H3 | 120.2° | 119.9° |
| C8 | C6 | C5 | 118.9° | 120.1° |
| C6 | C8 | H4 | 109.5° | 109.5° |
| C6 | C8 | H5 | 109.5° | 109.5° |
| C6 | C8 | H6 | 109.4° | 109.4° |
| C6 | C5 | C4 | 120.4° | 119.9° |
| C6 | C5 | N7 | 118.6° | 120.1° |
| C4 | C5 | N7 | 121.0° | 120.0° |
| C5 | C4 | H3 | 120.2° | 119.9° |
| C5 | N7 | C9 | 124.1° | 120.0° |
| C5 | N7 | H21 | 118.0° | 120.0° |
| N7 | C9 | O11 | 121.1° | 120.0° |
| N7 | C9 | C10 | 119.5° | 120.0° |
| C9 | N7 | H21 | 117.9° | 120.0° |
| O11 | C9 | C10 | 119.4° | 120.0° |
| C9 | C10 | C16 | 119.6° | 120.1° |
| C9 | C10 | C12 | 121.2° | 120.1° |
| C10 | C16 | C15 | 120.5° | 119.9° |
| C16 | C10 | C12 | 119.2° | 119.9° |
| C10 | C16 | H18 | 119.7° | 120.0° |
| C16 | C15 | C14 | 120.7° | 120.1° |
| C15 | C16 | H18 | 119.8° | 120.1° |
| C16 | C15 | H19 | 119.6° | 119.9° |
| C10 | C12 | C13 | 119.8° | 120.0° |
| C10 | C12 | H7 | 120.1° | 120.0° |
| C15 | C14 | C13 | 118.3° | 120.2° |
| C15 | C14 | N17 | 120.4° | 119.9° |
| C14 | C15 | H19 | 119.7° | 120.0° |
| C12 | C13 | C14 | 121.5° | 120.0° |
| C13 | C12 | H7 | 120.1° | 120.0° |
| C12 | C13 | H22 | 119.2° | 120.0° |
| C13 | C14 | N17 | 121.3° | 120.0° |
| C14 | C13 | H22 | 119.3° | 119.9° |
| C14 | N17 | C22 | 114.1° | 111.0° |
| C14 | N17 | C18 | 114.3° | 111.0° |
| C21 | C22 | N17 | 113.4° | 109.5° |
| C22 | C21 | C20 | 108.6° | 109.3° |
| C22 | C21 | H14 | 109.7° | 109.5° |
| C22 | C21 | H15 | 109.7° | 109.5° |
| C21 | C22 | H16 | 108.5° | 109.5° |
| C21 | C22 | H17 | 108.5° | 109.4° |
| C22 | N17 | C18 | 112.9° | 111.2° |
| N17 | C22 | H16 | 108.5° | 109.5° |
| N17 | C22 | H17 | 108.5° | 109.5° |
| C21 | C20 | C19 | 108.8° | 109.1° |
| C21 | C20 | H12 | 109.7° | 109.5° |
| C21 | C20 | H13 | 109.6° | 109.6° |
| C20 | C21 | H14 | 109.7° | 109.5° |
| C20 | C21 | H15 | 109.7° | 109.6° |
| N17 | C18 | C19 | 114.4° | 109.5° |
| N17 | C18 | H10 | 108.2° | 109.5° |
| N17 | C18 | H11 | 108.2° | 109.5° |
| C20 | C19 | C18 | 111.4° | 109.3° |
| C20 | C19 | H8 | 109.0° | 109.5° |
| C20 | C19 | H9 | 109.0° | 109.5° |
| C19 | C20 | H12 | 109.6° | 109.5° |
| C19 | C20 | H13 | 109.6° | 109.5° |
| C18 | C19 | H8 | 109.0° | 109.5° |
| C18 | C19 | H9 | 109.0° | 109.5° |
| C19 | C18 | H10 | 108.2° | 109.5° |
| C19 | C18 | H11 | 108.2° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H6 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.4° | 109.4° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.4° | 109.4° |
| H12 | C20 | H13 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H23 | C30 | H25 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H31 | C41 | H32 | 109.5° | 109.6° |
| H33 | C42 | H34 | 109.5° | 109.5° |
| H36 | C44 | H37 | 109.5° | 109.5° |
| H38 | C45 | H39 | 109.5° | 109.8° |
| H40 | C46 | H41 | 109.4° | 109.5° |
| H40 | C46 | H42 | 109.4° | 109.6° |
| H41 | C46 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | N43 | C42 | C44 | 114.5° | 124.1° |
| C46 | N43 | C42 | C41 | 175.3° | 172.8° |
| C46 | N43 | C44 | C45 | 176.3° | 172.9° |
| C46 | N43 | C42 | H33 | 55.2° | 52.8° |
| C46 | N43 | C42 | H34 | 64.5° | 67.3° |
| C46 | N43 | C44 | H36 | 63.5° | 52.8° |
| C46 | N43 | C44 | H37 | 56.1° | 67.3° |
| N43 | C46 | H40 | H41 | 120.0° | 120.0° |
| N43 | C46 | H40 | H42 | 120.0° | 120.0° |
| N43 | C46 | H41 | H42 | 120.0° | 119.9° |
| N43 | C42 | C41 | H33 | 120.1° | 119.9° |
| N43 | C42 | C41 | H34 | 120.1° | 120.0° |
| C42 | N43 | C44 | C45 | 61.6° | 63.0° |
| N43 | C42 | C41 | N39 | 55.7° | 53.9° |
| N43 | C42 | C41 | H31 | 175.5° | 65.9° |
| N43 | C42 | C41 | H32 | 64.2° | 173.6° |
| N43 | C42 | H33 | H34 | 119.6° | 120.1° |
| C42 | N43 | C44 | H36 | 178.2° | 176.9° |
| C42 | N43 | C44 | H37 | 58.6° | 56.9° |
| C42 | N43 | C46 | H40 | 180.0° | 60.0° |
| C42 | N43 | C46 | H41 | 60.0° | 180.0° |
| C42 | N43 | C46 | H42 | 60.0° | 60.1° |
| C44 | N43 | C42 | C41 | 60.9° | 63.1° |
| N43 | C44 | C45 | H36 | 120.2° | 120.1° |
| N43 | C44 | C45 | H37 | 120.2° | 119.9° |
| N43 | C44 | C45 | N39 | 56.4° | 53.6° |
| C44 | N43 | C42 | H33 | 59.2° | 176.9° |
| C44 | N43 | C42 | H34 | 179.0° | 56.8° |
| N43 | C44 | H36 | H37 | 119.4° | 120.0° |
| N43 | C44 | C45 | H38 | 63.4° | 173.5° |
| N43 | C44 | C45 | H39 | 176.2° | 65.9° |
| C44 | N43 | C46 | H40 | 62.9° | 64.2° |
| C44 | N43 | C46 | H41 | 177.1° | 55.7° |
| C44 | N43 | C46 | H42 | 57.1° | 175.7° |
| C42 | C41 | N39 | H31 | 119.9° | 119.7° |
| C42 | C41 | N39 | H32 | 119.9° | 119.9° |
| C42 | C41 | N39 | C45 | 54.3° | 50.9° |
| C42 | C41 | N39 | C38 | 125.5° | 128.8° |
| C42 | C41 | H31 | H32 | 120.4° | 120.5° |
| C41 | C42 | H33 | H34 | 119.7° | 120.1° |
| C44 | C45 | N39 | C41 | 54.4° | 50.8° |
| C44 | C45 | N39 | H38 | 119.8° | 119.9° |
| C44 | C45 | N39 | H39 | 119.8° | 119.6° |
| C44 | C45 | N39 | C38 | 125.4° | 128.9° |
| C45 | C44 | H36 | H37 | 119.4° | 119.9° |
| C44 | C45 | H38 | H39 | 120.6° | 120.5° |
| C41 | N39 | C45 | C38 | 179.8° | 179.7° |
| C41 | N39 | C38 | O40 | 0.1° | 4.4° |
| C41 | N39 | C38 | C35 | 179.7° | 175.5° |
| N39 | C41 | H31 | H32 | 120.3° | 120.4° |
| N39 | C41 | C42 | H33 | 64.5° | 173.8° |
| N39 | C41 | C42 | H34 | 175.8° | 66.1° |
| C41 | N39 | C45 | H38 | 65.4° | 170.8° |
| C41 | N39 | C45 | H39 | 174.2° | 68.8° |
| C45 | N39 | C38 | O40 | 179.9° | 175.9° |
| C45 | N39 | C38 | C35 | 0.1° | 4.2° |
| C45 | N39 | C41 | H31 | 174.2° | 68.8° |
| C45 | N39 | C41 | H32 | 65.5° | 170.8° |
| N39 | C45 | C44 | H36 | 176.6° | 173.6° |
| N39 | C45 | C44 | H37 | 63.8° | 66.3° |
| N39 | C45 | H38 | H39 | 120.6° | 120.1° |
| N39 | C38 | O40 | C35 | 179.8° | 179.9° |
| N39 | C38 | C35 | C36 | 63.9° | 40.6° |
| N39 | C38 | C35 | C34 | 117.5° | 139.5° |
| C38 | N39 | C41 | H31 | 5.6° | 111.5° |
| C38 | N39 | C41 | H32 | 114.7° | 9.0° |
| C38 | N39 | C45 | H38 | 114.8° | 9.0° |
| C38 | N39 | C45 | H39 | 5.6° | 111.5° |
| O40 | C38 | C35 | C36 | 115.9° | 139.5° |
| O40 | C38 | C35 | C34 | 62.7° | 40.4° |
| C38 | C35 | C36 | C34 | 178.6° | 179.9° |
| C38 | C35 | C36 | C37 | 179.7° | 179.8° |
| C38 | C35 | C34 | C33 | 179.5° | 180.0° |
| C38 | C35 | C34 | H28 | 0.5° | 0.1° |
| C38 | C35 | C36 | H29 | 0.3° | 0.1° |
| C35 | C36 | C37 | H29 | 180.0° | 179.7° |
| C35 | C36 | C37 | C32 | 0.6° | 0.6° |
| C36 | C35 | C34 | C33 | 0.8° | 0.1° |
| C36 | C35 | C34 | H28 | 179.1° | 180.0° |
| C35 | C36 | C37 | H30 | 179.3° | 179.9° |
| C37 | C36 | C35 | C34 | 1.0° | 0.4° |
| C36 | C37 | C32 | H30 | 180.0° | 179.5° |
| C36 | C37 | C32 | C33 | 0.0° | 0.5° |
| C36 | C37 | C32 | N31 | 179.8° | 179.7° |
| C35 | C34 | C33 | H28 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.3° | 0.1° |
| C35 | C34 | C33 | H27 | 179.8° | 180.0° |
| C34 | C35 | C36 | H29 | 178.9° | 180.0° |
| C37 | C32 | C33 | C34 | 0.2° | 0.3° |
| C37 | C32 | C33 | N31 | 179.8° | 179.7° |
| C37 | C32 | N31 | C27 | 177.3° | 33.3° |
| C37 | C32 | N31 | H26 | 2.7° | 146.7° |
| C37 | C32 | C33 | H27 | 179.8° | 179.8° |
| C32 | C37 | C36 | H29 | 179.3° | 179.7° |
| C34 | C33 | C32 | H27 | 180.0° | 180.0° |
| C34 | C33 | C32 | N31 | 179.6° | 180.0° |
| C33 | C32 | N31 | C27 | 2.9° | 147.0° |
| C33 | C32 | N31 | H26 | 177.1° | 33.0° |
| C32 | C33 | C34 | H28 | 179.7° | 180.0° |
| C33 | C32 | C37 | H30 | 179.9° | 180.0° |
| C32 | N31 | C27 | H26 | 180.0° | 180.0° |
| C32 | N31 | C27 | N28 | 1.5° | 0.5° |
| C32 | N31 | C27 | C26 | 178.6° | 180.0° |
| N31 | C32 | C33 | H27 | 0.4° | 0.0° |
| N31 | C32 | C37 | H30 | 0.1° | 0.2° |
| N31 | C27 | N28 | C26 | 179.9° | 179.6° |
| N31 | C27 | C26 | O29 | 0.5° | 0.2° |
| N31 | C27 | N28 | C23 | 179.6° | 180.0° |
| N31 | C27 | C26 | N25 | 179.7° | 179.8° |
| N28 | C27 | C26 | O29 | 179.6° | 179.8° |
| N28 | C27 | C26 | N25 | 0.2° | 0.2° |
| C27 | N28 | C23 | C1 | 179.1° | 179.7° |
| C27 | N28 | C23 | C24 | 0.2° | 0.5° |
| N28 | C27 | N31 | H26 | 178.5° | 179.5° |
| C27 | C26 | O29 | N25 | 179.7° | 180.0° |
| C26 | C27 | N28 | C23 | 0.3° | 0.5° |
| C27 | C26 | N25 | C24 | 0.4° | 0.0° |
| C27 | C26 | N25 | C30 | 179.6° | 180.0° |
| C26 | C27 | N31 | H26 | 1.4° | 0.0° |
| O29 | C26 | N25 | C24 | 179.8° | 180.0° |
| O29 | C26 | N25 | C30 | 0.1° | 0.0° |
| N28 | C23 | C1 | C24 | 178.8° | 179.8° |
| N28 | C23 | C24 | N25 | 0.9° | 0.3° |
| N28 | C23 | C1 | C2 | 38.4° | 123.6° |
| N28 | C23 | C1 | C6 | 141.8° | 56.8° |
| N28 | C23 | C24 | H20 | 179.1° | 179.8° |
| C26 | N25 | C24 | C23 | 1.0° | 0.1° |
| C26 | N25 | C24 | C30 | 179.9° | 179.9° |
| C26 | N25 | C24 | H20 | 179.0° | 180.0° |
| C26 | N25 | C30 | H23 | 180.0° | 90.0° |
| C26 | N25 | C30 | H24 | 60.0° | 30.0° |
| C26 | N25 | C30 | H25 | 60.0° | 150.0° |
| C1 | C23 | C24 | N25 | 179.7° | 179.9° |
| C23 | C1 | C2 | C6 | 179.8° | 179.6° |
| C23 | C1 | C2 | C3 | 180.0° | 179.7° |
| C23 | C1 | C6 | C8 | 0.5° | 0.4° |
| C23 | C1 | C6 | C5 | 179.4° | 179.7° |
| C23 | C1 | C2 | H1 | 0.1° | 0.4° |
| C1 | C23 | C24 | H20 | 0.3° | 0.0° |
| C23 | C24 | N25 | H20 | 180.0° | 179.9° |
| C23 | C24 | N25 | C30 | 179.1° | 180.0° |
| C24 | C23 | C1 | C2 | 140.5° | 56.2° |
| C24 | C23 | C1 | C6 | 39.4° | 123.4° |
| C24 | N25 | C30 | H23 | 0.1° | 89.9° |
| C24 | N25 | C30 | H24 | 120.1° | 150.1° |
| C24 | N25 | C30 | H25 | 119.9° | 30.1° |
| C30 | N25 | C24 | H20 | 0.9° | 0.1° |
| N25 | C30 | H23 | H24 | 120.0° | 120.0° |
| N25 | C30 | H23 | H25 | 120.0° | 120.0° |
| N25 | C30 | H24 | H25 | 120.0° | 120.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C2 | C1 | C6 | C8 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C1 | C2 | C3 | H2 | 179.8° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C1 | C6 | C8 | C5 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 1.0° | 0.1° |
| C1 | C6 | C5 | N7 | 179.6° | 179.9° |
| C6 | C1 | C2 | H1 | 179.9° | 180.0° |
| C1 | C6 | C8 | H4 | 89.9° | 94.6° |
| C1 | C6 | C8 | H5 | 150.1° | 145.3° |
| C1 | C6 | C8 | H6 | 30.1° | 25.4° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | N7 | 179.5° | 180.0° |
| C4 | C3 | C2 | H1 | 179.8° | 179.9° |
| C8 | C6 | C5 | C4 | 179.2° | 180.0° |
| C8 | C6 | C5 | N7 | 0.5° | 0.1° |
| C6 | C8 | H4 | H5 | 120.0° | 120.0° |
| C6 | C8 | H4 | H6 | 120.0° | 120.0° |
| C6 | C8 | H5 | H6 | 119.9° | 120.0° |
| C6 | C5 | C4 | N7 | 178.7° | 180.0° |
| C6 | C5 | N7 | C9 | 81.8° | 146.2° |
| C6 | C5 | C4 | H3 | 179.1° | 179.9° |
| C5 | C6 | C8 | H4 | 89.9° | 85.3° |
| C5 | C6 | C8 | H5 | 30.1° | 34.8° |
| C5 | C6 | C8 | H6 | 150.0° | 154.8° |
| C6 | C5 | N7 | H21 | 98.2° | 33.9° |
| C4 | C5 | N7 | C9 | 99.5° | 33.8° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C4 | C5 | N7 | H21 | 80.5° | 146.1° |
| C5 | N7 | C9 | H21 | 180.0° | 180.0° |
| C5 | N7 | C9 | O11 | 1.3° | 5.5° |
| C5 | N7 | C9 | C10 | 177.0° | 174.5° |
| N7 | C5 | C4 | H3 | 0.5° | 0.0° |
| N7 | C9 | O11 | C10 | 178.2° | 179.9° |
| N7 | C9 | C10 | C16 | 16.5° | 180.0° |
| N7 | C9 | C10 | C12 | 165.5° | 0.1° |
| O11 | C9 | C10 | C16 | 161.7° | 0.0° |
| O11 | C9 | C10 | C12 | 16.3° | 180.0° |
| O11 | C9 | N7 | H21 | 178.8° | 174.5° |
| C9 | C10 | C16 | C12 | 178.1° | 180.0° |
| C9 | C10 | C16 | C15 | 179.1° | 179.4° |
| C9 | C10 | C12 | C13 | 178.8° | 179.9° |
| C9 | C10 | C12 | H7 | 1.2° | 0.3° |
| C9 | C10 | C16 | H18 | 1.0° | 0.0° |
| C10 | C9 | N7 | H21 | 3.0° | 5.6° |
| C10 | C16 | C15 | H18 | 180.0° | 179.4° |
| C10 | C16 | C15 | C14 | 1.1° | 0.9° |
| C16 | C10 | C12 | C13 | 0.8° | 0.0° |
| C16 | C10 | C12 | H7 | 179.2° | 179.7° |
| C10 | C16 | C15 | H19 | 179.0° | 180.0° |
| C15 | C16 | C10 | C12 | 1.0° | 0.6° |
| C16 | C15 | C14 | H19 | 180.0° | 179.1° |
| C16 | C15 | C14 | C13 | 1.0° | 0.7° |
| C16 | C15 | C14 | N17 | 179.4° | 180.0° |
| C10 | C12 | C13 | H7 | 180.0° | 179.8° |
| C10 | C12 | C13 | C14 | 0.7° | 0.2° |
| C12 | C10 | C16 | H18 | 179.1° | 180.0° |
| C10 | C12 | C13 | H22 | 179.3° | 179.7° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | N17 | 178.4° | 179.3° |
| C15 | C14 | N17 | C22 | 28.6° | 179.9° |
| C15 | C14 | N17 | C18 | 160.7° | 55.8° |
| C14 | C15 | C16 | H18 | 178.9° | 179.7° |
| C15 | C14 | C13 | H22 | 179.2° | 180.0° |
| C12 | C13 | C14 | H22 | 180.0° | 179.9° |
| C12 | C13 | C14 | N17 | 179.2° | 179.5° |
| C13 | C14 | N17 | C22 | 153.0° | 0.6° |
| C13 | C14 | N17 | C18 | 20.9° | 123.5° |
| C14 | C13 | C12 | H7 | 179.3° | 180.0° |
| C13 | C14 | C15 | H19 | 179.1° | 179.8° |
| C14 | N17 | C22 | C21 | 81.4° | 174.1° |
| C14 | N17 | C22 | C18 | 132.8° | 124.1° |
| C14 | N17 | C18 | C19 | 86.1° | 174.2° |
| C14 | N17 | C18 | H10 | 34.7° | 54.2° |
| C14 | N17 | C18 | H11 | 153.2° | 65.8° |
| C14 | N17 | C22 | H16 | 39.2° | 65.8° |
| C14 | N17 | C22 | H17 | 158.0° | 54.2° |
| N17 | C14 | C15 | H19 | 0.6° | 0.9° |
| N17 | C14 | C13 | H22 | 0.8° | 0.7° |
| C21 | C22 | N17 | H16 | 120.6° | 120.0° |
| C21 | C22 | N17 | H17 | 120.6° | 120.0° |
| C22 | C21 | C20 | H14 | 119.9° | 119.9° |
| C22 | C21 | C20 | H15 | 119.9° | 120.0° |
| C21 | C22 | N17 | C18 | 51.4° | 61.8° |
| C22 | C21 | C20 | C19 | 60.1° | 57.7° |
| C22 | C21 | C20 | H12 | 59.8° | 62.2° |
| C22 | C21 | C20 | H13 | 180.0° | 177.6° |
| C22 | C21 | H14 | H15 | 120.4° | 120.1° |
| C21 | C22 | H16 | H17 | 118.2° | 120.0° |
| N17 | C22 | C21 | C20 | 58.7° | 59.2° |
| C22 | N17 | C18 | C19 | 46.6° | 61.7° |
| C22 | N17 | C18 | H10 | 167.3° | 178.2° |
| C22 | N17 | C18 | H11 | 74.1° | 58.3° |
| N17 | C22 | C21 | H14 | 178.5° | 179.1° |
| N17 | C22 | C21 | H15 | 61.2° | 60.8° |
| N17 | C22 | H16 | H17 | 118.2° | 120.0° |
| C21 | C20 | C19 | H12 | 119.9° | 119.9° |
| C21 | C20 | C19 | H13 | 119.9° | 119.9° |
| C21 | C20 | C19 | C18 | 56.6° | 57.6° |
| C21 | C20 | C19 | H8 | 176.9° | 177.6° |
| C21 | C20 | C19 | H9 | 63.7° | 62.3° |
| C21 | C20 | H12 | H13 | 120.3° | 120.2° |
| C20 | C21 | H14 | H15 | 120.4° | 120.1° |
| C20 | C21 | C22 | H16 | 179.3° | 60.8° |
| C20 | C21 | C22 | H17 | 61.9° | 179.2° |
| N17 | C18 | C19 | C20 | 50.0° | 59.2° |
| N17 | C18 | C19 | H10 | 120.7° | 120.0° |
| N17 | C18 | C19 | H11 | 120.7° | 120.0° |
| N17 | C18 | C19 | H8 | 170.2° | 179.2° |
| N17 | C18 | C19 | H9 | 70.3° | 60.8° |
| N17 | C18 | H10 | H11 | 117.7° | 120.0° |
| C18 | N17 | C22 | H16 | 171.9° | 58.3° |
| C18 | N17 | C22 | H17 | 69.2° | 178.3° |
| C20 | C19 | C18 | H8 | 120.3° | 120.0° |
| C20 | C19 | C18 | H9 | 120.3° | 120.0° |
| C20 | C19 | H8 | H9 | 119.1° | 120.1° |
| C20 | C19 | C18 | H10 | 170.7° | 179.2° |
| C20 | C19 | C18 | H11 | 70.8° | 60.8° |
| C19 | C20 | H12 | H13 | 120.3° | 120.1° |
| C19 | C20 | C21 | H14 | 180.0° | 177.6° |
| C19 | C20 | C21 | H15 | 59.7° | 62.3° |
| C18 | C19 | H8 | H9 | 119.1° | 120.0° |
| C19 | C18 | H10 | H11 | 117.8° | 120.0° |
| C18 | C19 | C20 | H12 | 63.4° | 62.3° |
| C18 | C19 | C20 | H13 | 176.4° | 177.6° |
| H1 | C2 | C3 | H2 | 0.2° | 0.0° |
| H2 | C3 | C4 | H3 | 0.3° | 0.1° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H7 | C12 | C13 | H22 | 0.7° | 0.1° |
| H8 | C19 | C18 | H10 | 69.0° | 60.8° |
| H8 | C19 | C18 | H11 | 49.5° | 59.2° |
| H8 | C19 | C20 | H12 | 56.9° | 57.7° |
| H8 | C19 | C20 | H13 | 63.3° | 62.5° |
| H9 | C19 | C18 | H10 | 50.4° | 59.2° |
| H9 | C19 | C18 | H11 | 169.0° | 179.2° |
| H9 | C19 | C20 | H12 | 176.4° | 177.8° |
| H9 | C19 | C20 | H13 | 56.1° | 57.6° |
| H12 | C20 | C21 | H14 | 60.1° | 57.7° |
| H12 | C20 | C21 | H15 | 179.6° | 177.8° |
| H13 | C20 | C21 | H14 | 60.1° | 62.5° |
| H13 | C20 | C21 | H15 | 60.1° | 57.6° |
| H14 | C21 | C22 | H16 | 60.9° | 59.1° |
| H14 | C21 | C22 | H17 | 57.9° | 60.9° |
| H15 | C21 | C22 | H16 | 59.4° | 179.2° |
| H15 | C21 | C22 | H17 | 178.2° | 59.2° |
| H18 | C16 | C15 | H19 | 1.0° | 0.6° |
| H23 | C30 | H24 | H25 | 120.0° | 120.0° |
| H27 | C33 | C34 | H28 | 0.3° | 0.0° |
| H29 | C36 | C37 | H30 | 0.7° | 0.2° |
| H31 | C41 | C42 | H33 | 55.4° | 54.0° |
| H31 | C41 | C42 | H34 | 64.4° | 174.1° |
| H32 | C41 | C42 | H33 | 175.7° | 66.5° |
| H32 | C41 | C42 | H34 | 55.9° | 53.7° |
| H36 | C44 | C45 | H38 | 56.8° | 66.4° |
| H36 | C44 | C45 | H39 | 63.6° | 54.2° |
| H37 | C44 | C45 | H38 | 176.4° | 53.6° |
| H37 | C44 | C45 | H39 | 56.0° | 174.2° |
| H40 | C46 | H41 | H42 | 119.9° | 120.1° |
