37O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N07 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.36Å | |
| C22 | N21 | sing | 1.47Å | 1.43Å | |
| C38 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N18 | sing | 1.47Å | 1.42Å | |
| O32 | C34 | sing | 1.43Å | 1.41Å | |
| O32 | C27 | sing | 1.36Å | 1.42Å | |
| N07 | C08 | sing | 1.34Å | 1.41Å | |
| N07 | C05 | sing | 1.38Å | 1.44Å | |
| C37 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | N21 | sing | 1.47Å | 1.46Å | |
| O35 | C08 | doub | 1.22Å | 1.40Å | |
| C39 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| N21 | C20 | sing | 1.47Å | 1.42Å | |
| O47 | C44 | doub | 1.21Å | 1.21Å | |
| C08 | N09 | sing | 1.34Å | 1.42Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | N04 | doub | 1.33Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.42Å | Aromatic |
| N04 | C03 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.53Å | Aromatic |
| N18 | C15 | sing | 1.40Å | 1.43Å | |
| N18 | C19 | sing | 1.47Å | 1.42Å | |
| C10 | C06 | sing | 1.51Å | 1.43Å | |
| C10 | N09 | sing | 1.48Å | 1.43Å | |
| C13 | C12 | sing | 1.39Å | 1.51Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C01 | doub | 1.37Å | 1.41Å | Aromatic |
| N09 | C25 | sing | 1.40Å | 1.45Å | |
| C03 | N11 | sing | 1.38Å | 1.44Å | |
| C03 | N02 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.43Å | |
| C12 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.53Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | N02 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.37Å | |
| C25 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.37Å | Aromatic |
| C40 | N43 | sing | 1.40Å | 1.43Å | |
| C44 | N43 | sing | 1.35Å | 1.44Å | |
| C44 | C45 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | O31 | sing | 1.36Å | 1.44Å | |
| O31 | C33 | sing | 1.43Å | 1.45Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.08Å | 1.08Å | |
| N43 | H31 | sing | 0.97Å | 1.00Å | |
| C45 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C36 | C37 | 117.9° | 109.5° |
| C36 | N07 | C08 | 122.2° | 118.5° |
| C36 | N07 | C05 | 118.8° | 118.5° |
| N07 | C36 | H25 | 107.3° | 109.5° |
| N07 | C36 | H26 | 107.3° | 109.5° |
| C36 | C37 | C38 | 119.0° | 119.9° |
| C36 | C37 | C42 | 119.9° | 119.9° |
| C37 | C36 | H25 | 107.3° | 109.5° |
| C37 | C36 | H26 | 107.3° | 109.4° |
| C23 | C22 | N21 | 119.2° | 109.4° |
| C22 | C23 | N18 | 120.7° | 109.4° |
| C23 | C22 | H11 | 107.0° | 109.5° |
| C22 | C23 | H12 | 106.6° | 109.5° |
| C23 | C22 | H39 | 107.0° | 109.5° |
| C22 | C23 | H40 | 106.6° | 109.5° |
| C22 | N21 | C24 | 119.4° | 111.0° |
| C22 | N21 | C20 | 120.1° | 110.9° |
| N21 | C22 | H11 | 107.0° | 109.5° |
| N21 | C22 | H39 | 107.0° | 109.5° |
| C37 | C38 | C39 | 119.6° | 120.0° |
| C38 | C37 | C42 | 121.1° | 120.2° |
| C37 | C38 | H27 | 120.2° | 119.9° |
| C38 | C39 | C40 | 119.6° | 119.9° |
| C39 | C38 | H27 | 120.2° | 120.0° |
| C38 | C39 | H28 | 120.2° | 120.0° |
| C23 | N18 | C15 | 117.5° | 111.0° |
| C23 | N18 | C19 | 120.3° | 110.9° |
| N18 | C23 | H12 | 106.6° | 109.4° |
| N18 | C23 | H40 | 106.6° | 109.5° |
| C34 | O32 | C27 | 115.3° | 117.0° |
| O32 | C34 | H22 | 109.5° | 109.5° |
| O32 | C34 | H23 | 109.5° | 109.5° |
| O32 | C34 | H24 | 109.5° | 109.5° |
| O32 | C27 | C26 | 118.1° | 120.0° |
| O32 | C27 | C28 | 122.2° | 120.0° |
| C08 | N07 | C05 | 118.4° | 123.0° |
| N07 | C08 | O35 | 120.5° | 118.4° |
| N07 | C08 | N09 | 117.0° | 123.3° |
| N07 | C05 | N04 | 121.9° | 121.5° |
| N07 | C05 | C06 | 119.1° | 119.8° |
| C37 | C42 | C41 | 119.1° | 120.1° |
| C37 | C42 | H30 | 120.4° | 120.0° |
| C24 | N21 | C20 | 120.4° | 111.0° |
| N21 | C24 | H13 | 109.5° | 109.5° |
| N21 | C24 | H14 | 109.5° | 109.5° |
| N21 | C24 | H15 | 109.5° | 109.4° |
| O35 | C08 | N09 | 122.5° | 118.3° |
| C39 | C40 | C41 | 119.9° | 119.9° |
| C39 | C40 | N43 | 123.2° | 120.0° |
| C40 | C39 | H28 | 120.2° | 120.1° |
| N21 | C20 | C19 | 120.6° | 109.3° |
| N21 | C20 | H10 | 106.6° | 109.5° |
| N21 | C20 | H38 | 106.6° | 109.5° |
| O47 | C44 | N43 | 121.7° | 120.0° |
| O47 | C44 | C45 | 119.7° | 120.0° |
| C08 | N09 | C10 | 116.9° | 119.1° |
| C08 | N09 | C25 | 121.4° | 120.5° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C26 | C27 | C28 | 119.8° | 120.0° |
| C27 | C26 | H16 | 120.4° | 120.0° |
| C26 | C25 | N09 | 120.4° | 120.0° |
| C26 | C25 | C30 | 121.7° | 120.0° |
| C25 | C26 | H16 | 120.4° | 120.0° |
| N04 | C05 | C06 | 119.0° | 118.6° |
| C05 | N04 | C03 | 120.4° | 120.3° |
| C05 | C06 | C10 | 116.6° | 118.2° |
| C05 | C06 | C01 | 118.4° | 119.6° |
| N04 | C03 | N11 | 122.3° | 118.9° |
| N04 | C03 | N02 | 120.9° | 122.1° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H5 | 120.0° | 120.0° |
| C13 | C14 | H6 | 119.9° | 120.0° |
| C14 | C15 | N18 | 116.4° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C15 | C14 | H6 | 119.8° | 120.1° |
| C15 | N18 | C19 | 122.1° | 111.0° |
| N18 | C15 | C16 | 123.3° | 120.0° |
| N18 | C19 | C20 | 119.1° | 109.4° |
| N18 | C19 | H9 | 107.0° | 109.5° |
| N18 | C19 | H37 | 107.0° | 109.5° |
| C06 | C10 | N09 | 113.7° | 116.6° |
| C10 | C06 | C01 | 125.0° | 122.2° |
| C06 | C10 | H2 | 108.4° | 108.0° |
| C06 | C10 | H3 | 108.4° | 108.1° |
| C10 | N09 | C25 | 116.3° | 120.4° |
| N09 | C10 | H2 | 108.4° | 108.0° |
| N09 | C10 | H3 | 108.4° | 108.0° |
| C13 | C12 | N11 | 115.9° | 120.0° |
| C13 | C12 | C17 | 120.1° | 120.0° |
| C12 | C13 | H5 | 120.0° | 120.0° |
| C15 | C16 | C17 | 119.3° | 120.0° |
| C15 | C16 | H7 | 120.3° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.1° |
| C27 | C28 | H17 | 120.0° | 120.0° |
| C06 | C01 | N02 | 118.2° | 118.6° |
| C06 | C01 | H1 | 120.9° | 120.7° |
| N09 | C25 | C30 | 117.9° | 120.0° |
| N11 | C03 | N02 | 116.8° | 118.9° |
| C03 | N11 | C12 | 127.2° | 120.0° |
| C03 | N11 | H4 | 116.4° | 120.0° |
| C03 | N02 | C01 | 123.1° | 120.8° |
| N11 | C12 | C17 | 123.9° | 120.0° |
| C12 | N11 | H4 | 116.4° | 120.0° |
| C12 | C17 | C16 | 119.8° | 120.0° |
| C12 | C17 | H8 | 120.1° | 120.0° |
| C17 | C16 | H7 | 120.3° | 120.0° |
| C16 | C17 | H8 | 120.1° | 120.0° |
| C42 | C41 | C40 | 120.7° | 119.9° |
| C42 | C41 | H29 | 119.7° | 120.0° |
| C41 | C42 | H30 | 120.5° | 120.0° |
| N02 | C01 | H1 | 120.9° | 120.7° |
| C20 | C19 | H9 | 107.0° | 109.5° |
| C19 | C20 | H10 | 106.6° | 109.5° |
| C20 | C19 | H37 | 107.0° | 109.5° |
| C19 | C20 | H38 | 106.6° | 109.4° |
| C25 | C30 | C29 | 119.7° | 120.0° |
| C25 | C30 | H18 | 120.2° | 120.1° |
| C41 | C40 | N43 | 116.8° | 120.1° |
| C40 | C41 | H29 | 119.6° | 120.0° |
| C40 | N43 | C44 | 123.3° | 120.0° |
| C40 | N43 | H31 | 118.4° | 120.0° |
| N43 | C44 | C45 | 118.6° | 120.0° |
| C44 | N43 | H31 | 118.3° | 120.0° |
| C44 | C45 | C46 | 113.4° | 109.5° |
| C44 | C45 | H32 | 108.5° | 109.5° |
| C44 | C45 | H33 | 108.5° | 109.5° |
| C28 | C29 | C30 | 119.6° | 120.0° |
| C28 | C29 | O31 | 122.9° | 120.0° |
| C29 | C28 | H17 | 120.0° | 119.9° |
| C46 | C45 | H32 | 108.5° | 109.5° |
| C46 | C45 | H33 | 108.5° | 109.5° |
| C45 | C46 | H34 | 109.5° | 109.5° |
| C45 | C46 | H35 | 109.5° | 109.5° |
| C45 | C46 | H36 | 109.4° | 109.5° |
| C30 | C29 | O31 | 117.5° | 120.0° |
| C29 | C30 | H18 | 120.1° | 120.0° |
| C29 | O31 | C33 | 116.4° | 117.0° |
| O31 | C33 | H19 | 109.5° | 109.5° |
| O31 | C33 | H20 | 109.5° | 109.5° |
| O31 | C33 | H21 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 107.8° |
| H9 | C19 | H37 | 109.5° | 109.5° |
| H10 | C20 | H38 | 109.5° | 109.5° |
| H11 | C22 | H39 | 109.4° | 109.5° |
| H12 | C23 | H40 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.4° | 109.5° |
| H19 | C33 | H20 | 109.4° | 109.5° |
| H19 | C33 | H21 | 109.4° | 109.4° |
| H20 | C33 | H21 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.4° |
| H22 | C34 | H24 | 109.5° | 109.5° |
| H23 | C34 | H24 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.5° |
| H32 | C45 | H33 | 109.5° | 109.4° |
| H34 | C46 | H35 | 109.5° | 109.4° |
| H34 | C46 | H36 | 109.5° | 109.5° |
| H35 | C46 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C36 | C37 | H25 | 121.2° | 120.0° |
| N07 | C36 | C37 | H26 | 121.2° | 120.0° |
| N07 | C36 | C37 | C38 | 116.6° | 89.7° |
| C36 | N07 | C08 | C05 | 170.7° | 179.9° |
| N07 | C36 | C37 | C42 | 65.7° | 90.0° |
| C36 | N07 | C08 | O35 | 3.6° | 0.1° |
| C36 | N07 | C08 | N09 | 177.1° | 180.0° |
| C36 | N07 | C05 | N04 | 14.9° | 0.0° |
| C36 | N07 | C05 | C06 | 164.3° | 179.7° |
| N07 | C36 | H25 | H26 | 116.2° | 120.0° |
| C36 | C37 | C38 | C42 | 177.7° | 179.7° |
| C36 | C37 | C38 | C39 | 178.8° | 180.0° |
| C37 | C36 | N07 | C08 | 64.0° | 89.9° |
| C37 | C36 | N07 | C05 | 106.6° | 90.0° |
| C36 | C37 | C42 | C41 | 178.7° | 179.7° |
| C37 | C36 | H25 | H26 | 116.2° | 120.0° |
| C36 | C37 | C38 | H27 | 1.2° | 0.0° |
| C36 | C37 | C42 | H30 | 1.3° | 0.0° |
| C23 | C22 | N21 | H11 | 121.4° | 120.0° |
| C23 | C22 | N21 | H39 | 121.4° | 120.0° |
| C22 | C23 | N18 | H12 | 121.5° | 120.0° |
| C22 | C23 | N18 | H40 | 121.6° | 120.0° |
| C23 | C22 | N21 | C24 | 180.0° | 176.8° |
| C23 | C22 | N21 | C20 | 0.2° | 59.3° |
| C22 | C23 | N18 | C15 | 179.4° | 176.8° |
| C22 | C23 | N18 | C19 | 0.4° | 59.3° |
| C23 | C22 | H11 | H39 | 115.6° | 120.0° |
| C22 | C23 | H12 | H40 | 115.0° | 120.1° |
| N21 | C22 | C23 | N18 | 0.3° | 58.4° |
| C22 | N21 | C24 | C20 | 179.8° | 123.8° |
| C22 | N21 | C20 | C19 | 0.3° | 59.3° |
| C22 | N21 | C20 | H10 | 121.2° | 179.3° |
| N21 | C22 | H11 | H39 | 115.6° | 120.1° |
| N21 | C22 | C23 | H12 | 121.3° | 178.4° |
| C22 | N21 | C24 | H13 | 180.0° | 63.8° |
| C22 | N21 | C24 | H14 | 60.0° | 56.2° |
| C22 | N21 | C24 | H15 | 60.0° | 176.2° |
| C22 | N21 | C20 | H38 | 121.9° | 60.6° |
| N21 | C22 | C23 | H40 | 121.8° | 61.5° |
| C37 | C38 | C39 | H27 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | C37 | C42 | C41 | 1.0° | 0.6° |
| C38 | C37 | C36 | H25 | 4.6° | 150.3° |
| C38 | C37 | C36 | H26 | 122.2° | 30.3° |
| C37 | C38 | C39 | H28 | 179.8° | 179.9° |
| C38 | C37 | C42 | H30 | 179.0° | 179.7° |
| C39 | C38 | C37 | C42 | 1.1° | 0.3° |
| C38 | C39 | C40 | H28 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.7° | 0.1° |
| C38 | C39 | C40 | N43 | 178.7° | 180.0° |
| C23 | N18 | C15 | C14 | 33.6° | 56.2° |
| C23 | N18 | C15 | C19 | 178.9° | 123.8° |
| C23 | N18 | C15 | C16 | 146.5° | 123.8° |
| C23 | N18 | C19 | C20 | 0.5° | 59.3° |
| C23 | N18 | C19 | H9 | 120.8° | 60.6° |
| N18 | C23 | C22 | H11 | 121.2° | 178.4° |
| N18 | C23 | H12 | H40 | 114.9° | 120.0° |
| C23 | N18 | C19 | H37 | 121.9° | 179.3° |
| N18 | C23 | C22 | H39 | 121.6° | 61.6° |
| C34 | O32 | C27 | C26 | 169.1° | 180.0° |
| C34 | O32 | C27 | C28 | 11.3° | 0.1° |
| O32 | C34 | H22 | H23 | 120.0° | 120.0° |
| O32 | C34 | H22 | H24 | 120.0° | 120.0° |
| O32 | C34 | H23 | H24 | 120.0° | 120.0° |
| O32 | C27 | C26 | C28 | 179.6° | 179.9° |
| O32 | C27 | C26 | C25 | 179.6° | 180.0° |
| O32 | C27 | C28 | C29 | 179.8° | 180.0° |
| O32 | C27 | C26 | H16 | 0.4° | 0.0° |
| O32 | C27 | C28 | H17 | 0.2° | 0.1° |
| C27 | O32 | C34 | H22 | 180.0° | 180.0° |
| C27 | O32 | C34 | H23 | 60.0° | 60.0° |
| C27 | O32 | C34 | H24 | 60.0° | 60.0° |
| N07 | C08 | O35 | N09 | 179.3° | 179.9° |
| C08 | N07 | C05 | N04 | 156.1° | 179.9° |
| C08 | N07 | C05 | C06 | 24.6° | 0.4° |
| N07 | C08 | N09 | C10 | 23.8° | 0.1° |
| N07 | C08 | N09 | C25 | 177.0° | 180.0° |
| C08 | N07 | C36 | H25 | 57.2° | 150.1° |
| C08 | N07 | C36 | H26 | 174.8° | 30.1° |
| C05 | N07 | C08 | O35 | 167.1° | 180.0° |
| C05 | N07 | C08 | N09 | 12.2° | 0.1° |
| N07 | C05 | N04 | C06 | 179.2° | 179.7° |
| N07 | C05 | N04 | C03 | 179.3° | 179.9° |
| N07 | C05 | C06 | C10 | 0.2° | 0.3° |
| N07 | C05 | C06 | C01 | 179.0° | 179.8° |
| C05 | N07 | C36 | H25 | 132.2° | 30.0° |
| C05 | N07 | C36 | H26 | 14.6° | 150.0° |
| C37 | C42 | C41 | H30 | 180.0° | 179.7° |
| C37 | C42 | C41 | C40 | 0.0° | 0.6° |
| C42 | C37 | C36 | H25 | 173.1° | 30.0° |
| C42 | C37 | C36 | H26 | 55.5° | 150.0° |
| C42 | C37 | C38 | H27 | 178.9° | 179.7° |
| C37 | C42 | C41 | H29 | 180.0° | 179.7° |
| C24 | N21 | C20 | C19 | 179.9° | 176.8° |
| C24 | N21 | C20 | H10 | 58.6° | 56.9° |
| C24 | N21 | C22 | H11 | 58.6° | 56.9° |
| N21 | C24 | H13 | H14 | 120.0° | 120.0° |
| N21 | C24 | H13 | H15 | 120.0° | 120.0° |
| N21 | C24 | H14 | H15 | 120.0° | 120.0° |
| C24 | N21 | C20 | H38 | 58.3° | 63.2° |
| C24 | N21 | C22 | H39 | 58.6° | 63.2° |
| O35 | C08 | N09 | C10 | 156.8° | 179.8° |
| O35 | C08 | N09 | C25 | 3.7° | 0.1° |
| C39 | C40 | C41 | C42 | 0.9° | 0.3° |
| C39 | C40 | C41 | N43 | 178.1° | 179.9° |
| C39 | C40 | N43 | C44 | 39.0° | 26.1° |
| C40 | C39 | C38 | H27 | 179.8° | 180.0° |
| C39 | C40 | C41 | H29 | 179.2° | 180.0° |
| C39 | C40 | N43 | H31 | 141.0° | 153.9° |
| N21 | C20 | C19 | N18 | 0.5° | 58.4° |
| N21 | C20 | C19 | H10 | 121.5° | 120.0° |
| N21 | C20 | C19 | H38 | 121.6° | 120.0° |
| N21 | C20 | C19 | H9 | 120.9° | 61.6° |
| N21 | C20 | H10 | H38 | 115.0° | 120.1° |
| C20 | N21 | C22 | H11 | 121.2° | 179.3° |
| C20 | N21 | C24 | H13 | 0.2° | 60.0° |
| C20 | N21 | C24 | H14 | 119.8° | 180.0° |
| C20 | N21 | C24 | H15 | 120.2° | 60.0° |
| N21 | C20 | C19 | H37 | 121.8° | 178.4° |
| C20 | N21 | C22 | H39 | 121.6° | 60.6° |
| O47 | C44 | N43 | C40 | 3.2° | 5.9° |
| O47 | C44 | N43 | C45 | 179.2° | 180.0° |
| O47 | C44 | C45 | C46 | 52.4° | 0.0° |
| O47 | C44 | N43 | H31 | 176.8° | 174.1° |
| O47 | C44 | C45 | H32 | 68.2° | 120.1° |
| O47 | C44 | C45 | H33 | 173.0° | 120.0° |
| C08 | N09 | C25 | C26 | 52.4° | 65.5° |
| C08 | N09 | C10 | C06 | 47.8° | 0.1° |
| C08 | N09 | C10 | C25 | 154.6° | 179.8° |
| C08 | N09 | C25 | C30 | 128.6° | 114.8° |
| C08 | N09 | C10 | H2 | 168.5° | 121.6° |
| C08 | N09 | C10 | H3 | 72.8° | 122.0° |
| C27 | C26 | C25 | H16 | 180.0° | 180.0° |
| C27 | C26 | C25 | N09 | 179.5° | 180.0° |
| C27 | C26 | C25 | C30 | 0.6° | 0.2° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H17 | 179.8° | 180.0° |
| C26 | C25 | N09 | C10 | 101.0° | 114.3° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | N09 | C30 | 179.0° | 179.7° |
| C26 | C25 | C30 | C29 | 0.9° | 0.5° |
| C26 | C25 | C30 | H18 | 179.1° | 179.7° |
| N04 | C05 | C06 | C10 | 179.5° | 180.0° |
| N04 | C05 | C06 | C01 | 0.3° | 0.5° |
| C05 | N04 | C03 | N11 | 179.9° | 180.0° |
| C05 | N04 | C03 | N02 | 1.0° | 0.0° |
| C06 | C05 | N04 | C03 | 0.1° | 0.2° |
| C05 | C06 | C10 | C01 | 179.1° | 179.4° |
| C05 | C06 | C10 | N09 | 34.8° | 0.1° |
| C05 | C06 | C01 | N02 | 0.3° | 0.5° |
| C05 | C06 | C01 | H1 | 179.7° | 179.7° |
| C05 | C06 | C10 | H2 | 155.4° | 121.8° |
| C05 | C06 | C10 | H3 | 85.8° | 121.8° |
| N04 | C03 | N11 | N02 | 179.1° | 180.0° |
| N04 | C03 | N11 | C12 | 9.2° | 175.4° |
| N04 | C03 | N02 | C01 | 1.7° | 0.0° |
| N04 | C03 | N11 | H4 | 170.8° | 4.5° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | N18 | 180.0° | 180.0° |
| C14 | C13 | C12 | H5 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | N11 | 179.5° | 180.0° |
| C14 | C13 | C12 | C17 | 1.1° | 0.3° |
| C14 | C15 | N18 | C16 | 179.9° | 180.0° |
| C14 | C15 | N18 | C19 | 145.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C15 | C14 | C13 | H5 | 179.7° | 179.9° |
| C14 | C15 | C16 | H7 | 179.8° | 180.0° |
| N18 | C15 | C16 | C17 | 179.7° | 179.8° |
| C15 | N18 | C19 | C20 | 179.4° | 176.8° |
| N18 | C15 | C14 | H6 | 0.0° | 0.1° |
| N18 | C15 | C16 | H7 | 0.3° | 0.1° |
| C15 | N18 | C19 | H9 | 58.1° | 63.3° |
| C15 | N18 | C23 | H12 | 57.8° | 56.8° |
| C15 | N18 | C19 | H37 | 59.2° | 56.8° |
| C15 | N18 | C23 | H40 | 59.0° | 63.2° |
| C19 | N18 | C15 | C16 | 34.5° | 0.0° |
| N18 | C19 | C20 | H9 | 121.4° | 120.0° |
| N18 | C19 | C20 | H37 | 121.4° | 120.0° |
| N18 | C19 | H9 | H37 | 115.7° | 120.1° |
| N18 | C19 | C20 | H10 | 121.1° | 178.4° |
| C19 | N18 | C23 | H12 | 121.1° | 179.3° |
| N18 | C19 | C20 | H38 | 122.0° | 61.6° |
| C19 | N18 | C23 | H40 | 122.0° | 60.6° |
| C06 | C10 | N09 | H2 | 120.6° | 121.8° |
| C06 | C10 | N09 | H3 | 120.6° | 121.9° |
| C06 | C10 | N09 | C25 | 157.6° | 180.0° |
| C10 | C06 | C01 | N02 | 178.8° | 180.0° |
| C10 | C06 | C01 | H1 | 1.2° | 0.3° |
| C06 | C10 | H2 | H3 | 118.1° | 116.6° |
| N09 | C10 | C06 | C01 | 146.1° | 179.5° |
| C10 | N09 | C25 | C30 | 78.1° | 65.4° |
| N09 | C10 | H2 | H3 | 118.0° | 116.5° |
| C13 | C12 | N11 | C03 | 159.9° | 35.5° |
| C13 | C12 | N11 | C17 | 178.4° | 179.7° |
| C13 | C12 | C17 | C16 | 1.4° | 0.5° |
| C13 | C12 | N11 | H4 | 20.1° | 144.5° |
| C12 | C13 | C14 | H6 | 179.7° | 179.9° |
| C13 | C12 | C17 | H8 | 178.7° | 179.7° |
| C15 | C16 | C17 | C12 | 1.0° | 0.5° |
| C15 | C16 | C17 | H7 | 180.0° | 179.8° |
| C16 | C15 | C14 | H6 | 179.9° | 180.0° |
| C15 | C16 | C17 | H8 | 179.1° | 179.8° |
| C27 | C28 | C29 | H17 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | O31 | 179.2° | 180.0° |
| C28 | C27 | C26 | H16 | 180.0° | 180.0° |
| C06 | C01 | N02 | C03 | 1.3° | 0.3° |
| C06 | C01 | N02 | H1 | 180.0° | 179.8° |
| C01 | C06 | C10 | H2 | 25.4° | 58.7° |
| C01 | C06 | C10 | H3 | 93.3° | 57.7° |
| N09 | C25 | C30 | C29 | 179.9° | 179.7° |
| C25 | N09 | C10 | H2 | 36.9° | 58.2° |
| C25 | N09 | C10 | H3 | 81.8° | 58.2° |
| N09 | C25 | C26 | H16 | 0.5° | 0.0° |
| N09 | C25 | C30 | H18 | 0.1° | 0.0° |
| C03 | N11 | C12 | H4 | 180.0° | 180.0° |
| C03 | N11 | C12 | C17 | 21.7° | 144.8° |
| N11 | C03 | N02 | C01 | 179.2° | 180.0° |
| N02 | C03 | N11 | C12 | 171.7° | 4.6° |
| C03 | N02 | C01 | H1 | 178.7° | 180.0° |
| N02 | C03 | N11 | H4 | 8.3° | 175.5° |
| N11 | C12 | C17 | C16 | 179.7° | 179.7° |
| N11 | C12 | C13 | H5 | 0.5° | 0.1° |
| N11 | C12 | C17 | H8 | 0.4° | 0.0° |
| C12 | C17 | C16 | H8 | 180.0° | 179.7° |
| C17 | C12 | N11 | H4 | 158.2° | 35.2° |
| C17 | C12 | C13 | H5 | 178.9° | 179.8° |
| C12 | C17 | C16 | H7 | 179.1° | 179.7° |
| C42 | C41 | C40 | H29 | 180.0° | 179.7° |
| C42 | C41 | C40 | N43 | 179.0° | 179.8° |
| C20 | C19 | H9 | H37 | 115.6° | 120.0° |
| C19 | C20 | H10 | H38 | 115.0° | 120.0° |
| C25 | C30 | C29 | C28 | 0.7° | 0.5° |
| C25 | C30 | C29 | H18 | 180.0° | 179.7° |
| C25 | C30 | C29 | O31 | 179.8° | 179.7° |
| C30 | C25 | C26 | H16 | 179.4° | 179.7° |
| C41 | C40 | N43 | C44 | 139.1° | 154.0° |
| C41 | C40 | C39 | H28 | 179.2° | 179.9° |
| C40 | C41 | C42 | H30 | 180.0° | 179.7° |
| C41 | C40 | N43 | H31 | 41.0° | 26.0° |
| C40 | N43 | C44 | H31 | 180.0° | 180.0° |
| C40 | N43 | C44 | C45 | 177.6° | 174.1° |
| N43 | C40 | C39 | H28 | 1.2° | 0.0° |
| N43 | C40 | C41 | H29 | 1.0° | 0.0° |
| N43 | C44 | C45 | C46 | 126.8° | 180.0° |
| N43 | C44 | C45 | H32 | 112.6° | 59.9° |
| N43 | C44 | C45 | H33 | 6.3° | 60.0° |
| C44 | C45 | C46 | H32 | 120.6° | 120.0° |
| C44 | C45 | C46 | H33 | 120.6° | 120.0° |
| C45 | C44 | N43 | H31 | 2.4° | 5.9° |
| C44 | C45 | H32 | H33 | 118.2° | 119.9° |
| C44 | C45 | C46 | H34 | 180.0° | 60.0° |
| C44 | C45 | C46 | H35 | 60.0° | 60.0° |
| C44 | C45 | C46 | H36 | 60.0° | 180.0° |
| C28 | C29 | C30 | O31 | 179.1° | 179.7° |
| C28 | C29 | O31 | C33 | 10.9° | 0.0° |
| C28 | C29 | C30 | H18 | 179.3° | 179.7° |
| C46 | C45 | H32 | H33 | 118.2° | 120.0° |
| C45 | C46 | H34 | H35 | 120.0° | 120.0° |
| C45 | C46 | H34 | H36 | 120.0° | 120.0° |
| C45 | C46 | H35 | H36 | 120.0° | 120.0° |
| C30 | C29 | O31 | C33 | 168.2° | 179.8° |
| C30 | C29 | C28 | H17 | 179.9° | 179.7° |
| O31 | C29 | C28 | H17 | 0.8° | 0.0° |
| O31 | C29 | C30 | H18 | 0.2° | 0.0° |
| C29 | O31 | C33 | H19 | 180.0° | 180.0° |
| C29 | O31 | C33 | H20 | 60.0° | 60.0° |
| C29 | O31 | C33 | H21 | 60.0° | 60.0° |
| O31 | C33 | H19 | H20 | 120.0° | 120.1° |
| O31 | C33 | H19 | H21 | 120.0° | 119.9° |
| O31 | C33 | H20 | H21 | 120.0° | 120.0° |
| H5 | C13 | C14 | H6 | 0.3° | 0.0° |
| H7 | C16 | C17 | H8 | 0.9° | 0.0° |
| H9 | C19 | C20 | H10 | 117.6° | 58.4° |
| H9 | C19 | C20 | H38 | 0.7° | 178.4° |
| H10 | C20 | C19 | H37 | 0.3° | 61.7° |
| H11 | C22 | C23 | H12 | 117.3° | 61.7° |
| H11 | C22 | C23 | H40 | 0.4° | 58.4° |
| H12 | C23 | C22 | H39 | 0.1° | 58.4° |
| H13 | C24 | H14 | H15 | 120.0° | 120.0° |
| H19 | C33 | H20 | H21 | 120.0° | 120.0° |
| H22 | C34 | H23 | H24 | 120.0° | 120.0° |
| H27 | C38 | C39 | H28 | 0.2° | 0.1° |
| H29 | C41 | C42 | H30 | 0.0° | 0.0° |
| H32 | C45 | C46 | H34 | 59.5° | 180.0° |
| H32 | C45 | C46 | H35 | 179.5° | 60.0° |
| H32 | C45 | C46 | H36 | 60.6° | 60.0° |
| H33 | C45 | C46 | H34 | 59.4° | 60.0° |
| H33 | C45 | C46 | H35 | 60.6° | 180.0° |
| H33 | C45 | C46 | H36 | 179.4° | 60.0° |
| H34 | C46 | H35 | H36 | 120.0° | 120.0° |
| H37 | C19 | C20 | H38 | 116.6° | 58.4° |
| H39 | C22 | C23 | H40 | 116.8° | 178.5° |
