V5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C47 | sing | 1.53Å | 1.58Å | |
| C46 | N08 | sing | 1.47Å | 1.40Å | |
| C47 | C05 | sing | 1.51Å | 1.55Å | |
| N08 | C07 | sing | 1.47Å | 1.37Å | |
| N08 | C09 | sing | 1.47Å | 1.29Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C26 | O25 | sing | 1.43Å | 1.42Å | |
| C05 | C06 | doub | 1.38Å | 1.32Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.46Å | Aromatic |
| C06 | C48 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| O25 | C24 | sing | 1.36Å | 1.43Å | |
| C48 | C49 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| O28 | C27 | sing | 1.36Å | 1.41Å | |
| O28 | C29 | sing | 1.43Å | 1.40Å | |
| C24 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C49 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.44Å | |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C49 | O50 | sing | 1.36Å | 1.43Å | |
| N21 | N17 | sing | 1.41Å | 1.36Å | Aromatic |
| N21 | C20 | doub | 1.32Å | 1.36Å | Aromatic |
| O34 | C33 | doub | 1.21Å | 1.19Å | |
| C30 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | N17 | sing | 1.40Å | 1.48Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.48Å | 1.58Å | |
| O02 | C01 | sing | 1.43Å | 1.42Å | |
| C31 | N32 | sing | 1.40Å | 1.48Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N17 | N18 | sing | 1.29Å | 1.34Å | Aromatic |
| C33 | N32 | sing | 1.35Å | 1.46Å | |
| C33 | C35 | sing | 1.51Å | 1.53Å | |
| C20 | N19 | sing | 1.34Å | 1.36Å | Aromatic |
| O50 | C51 | sing | 1.43Å | 1.41Å | |
| C35 | O41 | sing | 1.43Å | 1.47Å | |
| C35 | C36 | sing | 1.54Å | 1.50Å | |
| O41 | C40 | sing | 1.35Å | 1.52Å | |
| N18 | N19 | doub | 1.29Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.52Å | 1.43Å | |
| C40 | C42 | doub | 1.39Å | 1.41Å | Aromatic |
| C40 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C37 | C39 | sing | 1.47Å | 1.48Å | |
| C37 | O38 | doub | 1.21Å | 1.19Å | |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C45 | doub | 1.40Å | 1.42Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.42Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.08Å | 1.08Å | |
| C43 | H27 | sing | 1.08Å | 1.08Å | |
| C44 | H28 | sing | 1.08Å | 1.08Å | |
| C45 | H29 | sing | 1.08Å | 1.08Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C48 | H34 | sing | 1.08Å | 1.08Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| C51 | H36 | sing | 1.09Å | 1.10Å | |
| C51 | H37 | sing | 1.09Å | 1.10Å | |
| N32 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | C46 | N08 | 112.1° | 108.5° |
| C46 | C47 | C05 | 112.5° | 110.0° |
| C47 | C46 | H30 | 108.8° | 109.6° |
| C47 | C46 | H31 | 108.8° | 109.6° |
| C46 | C47 | H32 | 108.7° | 109.4° |
| C46 | C47 | H33 | 108.7° | 109.4° |
| C46 | N08 | C07 | 110.9° | 110.2° |
| C46 | N08 | C09 | 112.1° | 111.0° |
| N08 | C46 | H30 | 108.8° | 109.6° |
| N08 | C46 | H31 | 108.8° | 109.7° |
| C47 | C05 | C06 | 120.1° | 121.6° |
| C47 | C05 | C04 | 119.8° | 118.4° |
| C05 | C47 | H32 | 108.7° | 109.4° |
| C05 | C47 | H33 | 108.7° | 109.4° |
| C07 | N08 | C09 | 107.8° | 111.0° |
| N08 | C07 | C06 | 111.1° | 110.5° |
| N08 | C07 | H12 | 109.0° | 109.2° |
| N08 | C07 | H13 | 109.0° | 109.2° |
| N08 | C09 | C10 | 114.5° | 109.5° |
| N08 | C09 | H14 | 108.2° | 109.4° |
| N08 | C09 | H15 | 108.2° | 109.5° |
| C07 | C06 | C05 | 119.6° | 121.8° |
| C07 | C06 | C48 | 120.3° | 118.3° |
| C06 | C07 | H12 | 109.0° | 109.3° |
| C06 | C07 | H13 | 109.1° | 109.3° |
| C26 | O25 | C24 | 113.3° | 117.0° |
| O25 | C26 | H5 | 109.5° | 109.4° |
| O25 | C26 | H6 | 109.5° | 109.4° |
| O25 | C26 | H7 | 109.5° | 109.5° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C05 | C06 | C48 | 120.0° | 119.8° |
| C05 | C04 | C03 | 120.0° | 120.4° |
| C05 | C04 | H11 | 120.1° | 119.8° |
| C06 | C48 | C49 | 119.8° | 120.4° |
| C06 | C48 | H34 | 120.0° | 119.8° |
| C15 | C16 | C11 | 119.7° | 120.1° |
| C16 | C15 | C14 | 119.9° | 119.9° |
| C16 | C15 | H4 | 120.0° | 120.1° |
| C15 | C16 | H17 | 120.2° | 119.9° |
| C16 | C11 | C10 | 120.0° | 119.9° |
| C16 | C11 | C12 | 120.3° | 120.2° |
| C11 | C16 | H17 | 120.1° | 120.0° |
| C09 | C10 | C11 | 109.4° | 109.4° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C10 | C09 | H14 | 108.2° | 109.5° |
| C10 | C09 | H15 | 108.2° | 109.5° |
| C04 | C03 | C49 | 120.2° | 119.6° |
| C04 | C03 | O02 | 119.6° | 120.2° |
| C03 | C04 | H11 | 120.0° | 119.8° |
| C10 | C11 | C12 | 119.6° | 119.9° |
| C11 | C10 | H1 | 109.5° | 109.5° |
| C11 | C10 | H2 | 109.5° | 109.5° |
| C15 | C14 | N17 | 119.9° | 120.1° |
| C15 | C14 | C13 | 120.3° | 119.8° |
| C14 | C15 | H4 | 120.0° | 120.0° |
| O25 | C24 | C27 | 120.6° | 119.9° |
| O25 | C24 | C23 | 119.3° | 119.9° |
| C48 | C49 | C03 | 119.9° | 119.7° |
| C48 | C49 | O50 | 120.0° | 120.1° |
| C49 | C48 | H34 | 120.1° | 119.8° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C11 | C12 | H16 | 120.1° | 119.9° |
| C27 | O28 | C29 | 113.5° | 117.0° |
| O28 | C27 | C24 | 120.1° | 119.9° |
| O28 | C27 | C30 | 119.9° | 119.9° |
| O28 | C29 | H19 | 109.5° | 109.4° |
| O28 | C29 | H20 | 109.5° | 109.5° |
| O28 | C29 | H21 | 109.5° | 109.5° |
| C27 | C24 | C23 | 120.0° | 120.2° |
| C24 | C27 | C30 | 120.0° | 120.2° |
| C24 | C23 | C22 | 120.0° | 119.9° |
| C24 | C23 | H18 | 120.0° | 120.1° |
| C27 | C30 | C31 | 120.0° | 120.0° |
| C27 | C30 | H22 | 120.0° | 120.0° |
| C49 | C03 | O02 | 120.2° | 120.2° |
| C03 | C49 | O50 | 120.1° | 120.1° |
| C03 | O02 | C01 | 113.6° | 117.0° |
| C23 | C22 | C31 | 120.1° | 119.9° |
| C23 | C22 | C20 | 119.1° | 120.1° |
| C22 | C23 | H18 | 120.0° | 120.0° |
| C49 | O50 | C51 | 114.2° | 117.0° |
| N17 | N21 | C20 | 107.7° | 105.9° |
| N21 | N17 | C14 | 125.6° | 126.4° |
| N21 | N17 | N18 | 108.8° | 107.1° |
| N21 | C20 | C22 | 125.9° | 126.3° |
| N21 | C20 | N19 | 108.0° | 107.4° |
| O34 | C33 | N32 | 120.5° | 120.0° |
| O34 | C33 | C35 | 119.9° | 120.0° |
| C30 | C31 | C22 | 119.8° | 119.9° |
| C30 | C31 | N32 | 120.5° | 120.1° |
| C31 | C30 | H22 | 120.0° | 120.0° |
| N17 | C14 | C13 | 119.9° | 120.1° |
| C14 | N17 | N18 | 125.6° | 126.5° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H3 | 120.1° | 120.0° |
| C31 | C22 | C20 | 120.8° | 120.1° |
| C22 | C31 | N32 | 119.7° | 120.1° |
| C22 | C20 | N19 | 126.2° | 126.3° |
| O02 | C01 | H8 | 109.5° | 109.4° |
| O02 | C01 | H9 | 109.5° | 109.4° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| C31 | N32 | C33 | 120.9° | 120.0° |
| C31 | N32 | H39 | 119.5° | 120.0° |
| C12 | C13 | H3 | 120.1° | 120.0° |
| C13 | C12 | H16 | 120.0° | 120.0° |
| N17 | N18 | N19 | 107.7° | 109.8° |
| N32 | C33 | C35 | 119.6° | 120.0° |
| C33 | N32 | H39 | 119.5° | 120.0° |
| C33 | C35 | O41 | 119.6° | 109.4° |
| C33 | C35 | C36 | 120.1° | 109.5° |
| C33 | C35 | H23 | 93.0° | 109.5° |
| C20 | N19 | N18 | 107.9° | 109.8° |
| O50 | C51 | H35 | 109.5° | 109.5° |
| O50 | C51 | H36 | 109.5° | 109.5° |
| O50 | C51 | H37 | 109.5° | 109.5° |
| O41 | C35 | C36 | 119.4° | 109.4° |
| C35 | O41 | C40 | 112.8° | 118.7° |
| O41 | C35 | H23 | 93.2° | 109.5° |
| C35 | C36 | C37 | 118.3° | 107.1° |
| C36 | C35 | H23 | 93.1° | 109.6° |
| C35 | C36 | H24 | 107.2° | 109.9° |
| C35 | C36 | H25 | 107.2° | 109.9° |
| O41 | C40 | C42 | 119.9° | 120.0° |
| O41 | C40 | C39 | 120.3° | 120.8° |
| C36 | C37 | C39 | 119.0° | 116.5° |
| C36 | C37 | O38 | 120.4° | 121.7° |
| C37 | C36 | H24 | 107.2° | 109.9° |
| C37 | C36 | H25 | 107.2° | 109.9° |
| C42 | C40 | C39 | 119.8° | 119.2° |
| C40 | C42 | C43 | 120.0° | 120.0° |
| C40 | C42 | H26 | 120.0° | 120.0° |
| C40 | C39 | C37 | 120.8° | 119.0° |
| C40 | C39 | C45 | 120.3° | 120.3° |
| C39 | C37 | O38 | 120.6° | 121.8° |
| C37 | C39 | C45 | 118.9° | 120.7° |
| C42 | C43 | C44 | 120.2° | 120.7° |
| C43 | C42 | H26 | 120.0° | 119.9° |
| C42 | C43 | H27 | 119.9° | 119.7° |
| C39 | C45 | C44 | 119.7° | 119.6° |
| C39 | C45 | H29 | 120.2° | 120.2° |
| C43 | C44 | C45 | 120.0° | 120.2° |
| C44 | C43 | H27 | 119.9° | 119.6° |
| C43 | C44 | H28 | 120.0° | 119.9° |
| C45 | C44 | H28 | 120.0° | 119.9° |
| C44 | C45 | H29 | 120.1° | 120.2° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H5 | C26 | H7 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.3° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.4° | 109.5° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 110.0° |
| H30 | C46 | H31 | 109.5° | 109.8° |
| H32 | C47 | H33 | 109.5° | 109.3° |
| H35 | C51 | H36 | 109.5° | 109.5° |
| H35 | C51 | H37 | 109.5° | 109.5° |
| H36 | C51 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | C46 | N08 | H30 | 120.4° | 119.7° |
| C47 | C46 | N08 | H31 | 120.4° | 119.7° |
| C46 | C47 | C05 | H32 | 120.4° | 120.1° |
| C46 | C47 | C05 | H33 | 120.5° | 120.2° |
| C47 | C46 | N08 | C07 | 59.7° | 71.2° |
| C47 | C46 | N08 | C09 | 60.9° | 165.4° |
| C46 | C47 | C05 | C06 | 5.7° | 17.1° |
| C46 | C47 | C05 | C04 | 174.4° | 163.1° |
| C47 | C46 | H30 | H31 | 118.8° | 120.5° |
| C46 | C47 | H32 | H33 | 118.6° | 119.8° |
| N08 | C46 | C47 | C05 | 23.0° | 50.4° |
| C46 | N08 | C07 | C09 | 123.1° | 123.4° |
| C46 | N08 | C07 | C06 | 66.0° | 52.6° |
| C46 | N08 | C09 | C10 | 40.2° | 170.0° |
| C46 | N08 | C07 | H12 | 173.8° | 172.9° |
| C46 | N08 | C07 | H13 | 54.3° | 67.6° |
| C46 | N08 | C09 | H14 | 160.9° | 50.0° |
| C46 | N08 | C09 | H15 | 80.6° | 70.0° |
| N08 | C46 | H30 | H31 | 118.8° | 120.5° |
| N08 | C46 | C47 | H32 | 143.5° | 170.6° |
| N08 | C46 | C47 | H33 | 97.4° | 69.7° |
| C47 | C05 | C06 | C07 | 0.3° | 0.8° |
| C47 | C05 | C06 | C04 | 179.9° | 179.7° |
| C47 | C05 | C06 | C48 | 179.9° | 179.4° |
| C47 | C05 | C04 | C03 | 179.9° | 179.4° |
| C47 | C05 | C04 | H11 | 0.1° | 0.5° |
| C05 | C47 | C46 | H30 | 143.4° | 69.3° |
| C05 | C47 | C46 | H31 | 97.4° | 170.2° |
| C05 | C47 | H32 | H33 | 118.6° | 119.7° |
| N08 | C07 | C06 | H12 | 120.2° | 120.2° |
| N08 | C07 | C06 | H13 | 120.2° | 120.2° |
| N08 | C07 | C06 | C05 | 35.0° | 17.9° |
| N08 | C07 | C06 | C48 | 144.6° | 162.4° |
| C07 | N08 | C09 | C10 | 162.5° | 67.0° |
| N08 | C07 | H12 | H13 | 119.2° | 119.4° |
| C07 | N08 | C09 | H14 | 76.8° | 173.0° |
| C07 | N08 | C09 | H15 | 41.8° | 53.0° |
| C07 | N08 | C46 | H30 | 179.9° | 48.5° |
| C07 | N08 | C46 | H31 | 60.7° | 169.1° |
| C09 | N08 | C07 | C06 | 57.2° | 176.1° |
| N08 | C09 | C10 | H14 | 120.7° | 119.9° |
| N08 | C09 | C10 | H15 | 120.8° | 120.0° |
| N08 | C09 | C10 | C11 | 106.9° | 180.0° |
| N08 | C09 | C10 | H1 | 13.1° | 60.0° |
| N08 | C09 | C10 | H2 | 133.1° | 60.1° |
| C09 | N08 | C07 | H12 | 63.1° | 63.7° |
| C09 | N08 | C07 | H13 | 177.4° | 55.8° |
| N08 | C09 | H14 | H15 | 117.7° | 120.0° |
| C09 | N08 | C46 | H30 | 59.5° | 74.9° |
| C09 | N08 | C46 | H31 | 178.7° | 45.7° |
| C07 | C06 | C05 | C48 | 179.6° | 179.7° |
| C07 | C06 | C05 | C04 | 179.8° | 179.4° |
| C07 | C06 | C48 | C49 | 179.8° | 179.5° |
| C06 | C07 | H12 | H13 | 119.3° | 119.6° |
| C07 | C06 | C48 | H34 | 0.2° | 0.4° |
| C26 | O25 | C24 | C27 | 120.8° | 180.0° |
| C26 | O25 | C24 | C23 | 58.9° | 0.2° |
| O25 | C26 | H5 | H6 | 120.0° | 119.9° |
| O25 | C26 | H5 | H7 | 120.0° | 120.0° |
| O25 | C26 | H6 | H7 | 120.0° | 120.0° |
| C06 | C05 | C04 | C03 | 0.0° | 0.3° |
| C05 | C06 | C48 | C49 | 0.2° | 0.2° |
| C06 | C05 | C04 | H11 | 180.0° | 179.8° |
| C05 | C06 | C07 | H12 | 155.2° | 138.1° |
| C05 | C06 | C07 | H13 | 85.2° | 102.3° |
| C06 | C05 | C47 | H32 | 114.7° | 137.3° |
| C06 | C05 | C47 | H33 | 126.2° | 103.1° |
| C05 | C06 | C48 | H34 | 179.8° | 179.9° |
| C04 | C05 | C06 | C48 | 0.2° | 0.3° |
| C05 | C04 | C03 | H11 | 180.0° | 179.9° |
| C05 | C04 | C03 | C49 | 0.1° | 0.1° |
| C05 | C04 | C03 | O02 | 179.9° | 179.7° |
| C04 | C05 | C47 | H32 | 65.2° | 43.0° |
| C04 | C05 | C47 | H33 | 53.9° | 76.7° |
| C06 | C48 | C49 | H34 | 180.0° | 179.9° |
| C06 | C48 | C49 | C03 | 0.1° | 0.0° |
| C06 | C48 | C49 | O50 | 179.8° | 179.7° |
| C48 | C06 | C07 | H12 | 24.4° | 42.2° |
| C48 | C06 | C07 | H13 | 95.2° | 77.4° |
| C15 | C16 | C11 | H17 | 180.0° | 179.7° |
| C15 | C16 | C11 | C10 | 179.5° | 179.8° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.5° | 0.3° |
| C16 | C15 | C14 | N17 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C16 | C11 | C10 | C09 | 117.2° | 90.1° |
| C16 | C11 | C10 | C12 | 179.1° | 179.9° |
| C11 | C16 | C15 | C14 | 0.2° | 0.3° |
| C16 | C11 | C12 | C13 | 0.4° | 0.0° |
| C16 | C11 | C10 | H1 | 2.8° | 149.9° |
| C16 | C11 | C10 | H2 | 122.8° | 29.9° |
| C11 | C16 | C15 | H4 | 179.8° | 179.7° |
| C16 | C11 | C12 | H16 | 179.6° | 179.9° |
| C09 | C10 | C11 | H1 | 120.0° | 120.0° |
| C09 | C10 | C11 | H2 | 120.0° | 120.0° |
| C09 | C10 | C11 | C12 | 61.9° | 90.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C10 | C09 | H14 | H15 | 117.7° | 120.0° |
| C04 | C03 | C49 | C48 | 0.1° | 0.0° |
| C04 | C03 | C49 | O02 | 179.8° | 179.9° |
| C04 | C03 | C49 | O50 | 180.0° | 179.6° |
| C04 | C03 | O02 | C01 | 52.3° | 0.1° |
| C10 | C11 | C12 | C13 | 179.5° | 179.9° |
| C11 | C10 | H1 | H2 | 120.1° | 120.0° |
| C11 | C10 | C09 | H14 | 132.4° | 60.0° |
| C11 | C10 | C09 | H15 | 13.9° | 60.0° |
| C10 | C11 | C12 | H16 | 0.5° | 0.0° |
| C10 | C11 | C16 | H17 | 0.4° | 0.1° |
| C15 | C14 | N17 | N21 | 10.2° | 179.5° |
| C15 | C14 | N17 | C13 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.4° |
| C15 | C14 | N17 | N18 | 169.5° | 0.0° |
| C15 | C14 | C13 | H3 | 179.9° | 180.0° |
| C14 | C15 | C16 | H17 | 179.8° | 180.0° |
| O25 | C24 | C27 | O28 | 0.3° | 0.2° |
| O25 | C24 | C27 | C23 | 179.7° | 179.8° |
| O25 | C24 | C27 | C30 | 179.9° | 180.0° |
| O25 | C24 | C23 | C22 | 179.9° | 179.8° |
| C24 | O25 | C26 | H5 | 180.0° | 180.0° |
| C24 | O25 | C26 | H6 | 60.0° | 60.1° |
| C24 | O25 | C26 | H7 | 60.0° | 60.0° |
| O25 | C24 | C23 | H18 | 0.1° | 0.3° |
| C48 | C49 | C03 | O50 | 179.9° | 179.6° |
| C48 | C49 | C03 | O02 | 179.9° | 179.9° |
| C48 | C49 | O50 | C51 | 132.3° | 0.3° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 178.1° | 30.0° |
| C12 | C11 | C10 | H2 | 58.1° | 150.0° |
| C11 | C12 | C13 | H3 | 179.9° | 179.9° |
| C12 | C11 | C16 | H17 | 179.5° | 180.0° |
| O28 | C27 | C24 | C30 | 179.8° | 179.7° |
| O28 | C27 | C24 | C23 | 180.0° | 180.0° |
| O28 | C27 | C30 | C31 | 179.9° | 179.8° |
| C27 | O28 | C29 | H19 | 180.0° | 180.0° |
| C27 | O28 | C29 | H20 | 60.0° | 60.1° |
| C27 | O28 | C29 | H21 | 60.0° | 60.0° |
| O28 | C27 | C30 | H22 | 0.1° | 0.2° |
| C29 | O28 | C27 | C24 | 97.5° | 180.0° |
| C29 | O28 | C27 | C30 | 82.3° | 0.2° |
| O28 | C29 | H19 | H20 | 120.0° | 119.9° |
| O28 | C29 | H19 | H21 | 120.0° | 120.0° |
| O28 | C29 | H20 | H21 | 120.0° | 120.0° |
| C27 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C27 | C30 | C31 | 0.1° | 0.5° |
| C27 | C24 | C23 | H18 | 179.9° | 179.9° |
| C24 | C27 | C30 | H22 | 179.9° | 180.0° |
| C23 | C24 | C27 | C30 | 0.2° | 0.2° |
| C24 | C23 | C22 | H18 | 180.0° | 180.0° |
| C24 | C23 | C22 | C31 | 0.1° | 0.1° |
| C24 | C23 | C22 | C20 | 179.7° | 179.7° |
| C27 | C30 | C31 | H22 | 180.0° | 179.5° |
| C27 | C30 | C31 | C22 | 0.2° | 0.5° |
| C27 | C30 | C31 | N32 | 179.8° | 179.4° |
| C49 | C03 | O02 | C01 | 127.5° | 180.0° |
| C03 | C49 | O50 | C51 | 47.7° | 179.9° |
| C49 | C03 | C04 | H11 | 179.9° | 180.0° |
| C03 | C49 | C48 | H34 | 179.9° | 180.0° |
| O02 | C03 | C49 | O50 | 0.2° | 0.2° |
| C03 | O02 | C01 | H8 | 180.0° | 60.1° |
| C03 | O02 | C01 | H9 | 60.0° | 180.0° |
| C03 | O02 | C01 | H10 | 60.0° | 59.9° |
| O02 | C03 | C04 | H11 | 0.1° | 0.2° |
| C23 | C22 | C20 | N21 | 41.0° | 5.0° |
| C23 | C22 | C31 | C30 | 0.2° | 0.2° |
| C23 | C22 | C31 | C20 | 179.6° | 179.8° |
| C23 | C22 | C31 | N32 | 179.9° | 179.7° |
| C23 | C22 | C20 | N19 | 138.4° | 175.3° |
| O50 | C49 | C48 | H34 | 0.2° | 0.4° |
| C49 | O50 | C51 | H35 | 180.0° | 60.0° |
| C49 | O50 | C51 | H36 | 60.0° | 180.0° |
| C49 | O50 | C51 | H37 | 60.0° | 60.0° |
| N21 | N17 | C14 | N18 | 179.7° | 179.5° |
| N21 | N17 | C14 | C13 | 170.0° | 0.5° |
| N17 | N21 | C20 | C22 | 179.6° | 179.7° |
| N17 | N21 | C20 | N19 | 0.1° | 0.0° |
| N21 | N17 | N18 | N19 | 0.1° | 0.4° |
| C20 | N21 | N17 | C14 | 179.7° | 179.8° |
| N21 | C20 | C22 | C31 | 139.4° | 174.8° |
| N21 | C20 | C22 | N19 | 179.4° | 179.6° |
| C20 | N21 | N17 | N18 | 0.0° | 0.2° |
| N21 | C20 | N19 | N18 | 0.2° | 0.3° |
| O34 | C33 | N32 | C31 | 0.2° | 5.4° |
| O34 | C33 | N32 | C35 | 179.7° | 180.0° |
| O34 | C33 | C35 | O41 | 140.6° | 5.0° |
| O34 | C33 | C35 | C36 | 50.1° | 114.8° |
| O34 | C33 | C35 | H23 | 45.2° | 125.0° |
| O34 | C33 | N32 | H39 | 179.8° | 174.7° |
| C30 | C31 | C22 | N32 | 179.6° | 179.9° |
| C30 | C31 | C22 | C20 | 179.9° | 180.0° |
| C30 | C31 | N32 | C33 | 24.3° | 34.6° |
| C30 | C31 | N32 | H39 | 155.7° | 145.3° |
| N17 | C14 | C13 | C12 | 179.8° | 179.7° |
| C14 | N17 | N18 | N19 | 179.9° | 180.0° |
| N17 | C14 | C13 | H3 | 0.2° | 0.1° |
| N17 | C14 | C15 | H4 | 0.2° | 0.0° |
| C14 | C13 | C12 | H3 | 180.0° | 179.6° |
| C13 | C14 | N17 | N18 | 10.3° | 180.0° |
| C13 | C14 | C15 | H4 | 179.9° | 180.0° |
| C14 | C13 | C12 | H16 | 179.9° | 179.7° |
| C22 | C31 | N32 | C33 | 155.3° | 145.3° |
| C31 | C22 | C20 | N19 | 41.2° | 4.9° |
| C31 | C22 | C23 | H18 | 179.9° | 179.9° |
| C22 | C31 | C30 | H22 | 179.9° | 180.0° |
| C22 | C31 | N32 | H39 | 24.7° | 34.8° |
| C20 | C22 | C31 | N32 | 0.5° | 0.1° |
| C22 | C20 | N19 | N18 | 179.7° | 180.0° |
| C20 | C22 | C23 | H18 | 0.3° | 0.3° |
| O02 | C01 | H8 | H9 | 120.0° | 119.9° |
| O02 | C01 | H8 | H10 | 120.0° | 120.1° |
| O02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C31 | N32 | C33 | H39 | 180.0° | 179.9° |
| C31 | N32 | C33 | C35 | 179.6° | 174.6° |
| N32 | C31 | C30 | H22 | 0.2° | 0.1° |
| N17 | N18 | N19 | C20 | 0.2° | 0.4° |
| N32 | C33 | C35 | O41 | 39.1° | 175.0° |
| N32 | C33 | C35 | C36 | 130.1° | 65.1° |
| N32 | C33 | C35 | H23 | 134.5° | 55.0° |
| C33 | C35 | O41 | C36 | 169.3° | 119.9° |
| C33 | C35 | O41 | H23 | 95.3° | 120.0° |
| C33 | C35 | C36 | H23 | 95.3° | 120.1° |
| C33 | C35 | O41 | C40 | 134.7° | 172.6° |
| C33 | C35 | C36 | C37 | 149.4° | 178.7° |
| C33 | C35 | C36 | H24 | 89.4° | 61.9° |
| C33 | C35 | C36 | H25 | 28.1° | 59.3° |
| C35 | C33 | N32 | H39 | 0.5° | 5.4° |
| O50 | C51 | H35 | H36 | 120.0° | 120.0° |
| O50 | C51 | H35 | H37 | 120.0° | 120.0° |
| O50 | C51 | H36 | H37 | 120.0° | 120.0° |
| O41 | C35 | C36 | H23 | 95.4° | 120.0° |
| O41 | C35 | C36 | C37 | 19.9° | 58.8° |
| C35 | O41 | C40 | C42 | 154.9° | 157.8° |
| C35 | O41 | C40 | C39 | 24.9° | 22.5° |
| O41 | C35 | C36 | H24 | 101.3° | 178.2° |
| O41 | C35 | C36 | H25 | 141.2° | 60.6° |
| C36 | C35 | O41 | C40 | 34.7° | 52.7° |
| C35 | C36 | C37 | H24 | 121.2° | 119.4° |
| C35 | C36 | C37 | H25 | 121.3° | 119.4° |
| C35 | C36 | C37 | C39 | 6.8° | 40.1° |
| C35 | C36 | C37 | O38 | 173.2° | 139.9° |
| C35 | C36 | H24 | H25 | 116.0° | 121.1° |
| O41 | C40 | C42 | C39 | 179.8° | 179.7° |
| O41 | C40 | C39 | C37 | 0.1° | 0.8° |
| O41 | C40 | C42 | C43 | 179.9° | 179.4° |
| O41 | C40 | C39 | C45 | 179.9° | 179.3° |
| C40 | O41 | C35 | H23 | 130.0° | 67.4° |
| O41 | C40 | C42 | H26 | 0.1° | 0.5° |
| C36 | C37 | C39 | C40 | 16.8° | 12.1° |
| C36 | C37 | C39 | O38 | 180.0° | 180.0° |
| C36 | C37 | C39 | C45 | 163.2° | 167.9° |
| C37 | C36 | C35 | H23 | 115.3° | 61.3° |
| C37 | C36 | H24 | H25 | 116.0° | 121.2° |
| C42 | C40 | C39 | C37 | 179.9° | 179.5° |
| C40 | C42 | C43 | H26 | 180.0° | 179.9° |
| C42 | C40 | C39 | C45 | 0.1° | 0.4° |
| C40 | C42 | C43 | C44 | 0.1° | 0.1° |
| C40 | C42 | C43 | H27 | 179.9° | 179.9° |
| C40 | C39 | C37 | C45 | 180.0° | 179.9° |
| C40 | C39 | C37 | O38 | 163.2° | 167.8° |
| C39 | C40 | C42 | C43 | 0.2° | 0.3° |
| C40 | C39 | C45 | C44 | 0.0° | 0.2° |
| C39 | C40 | C42 | H26 | 179.8° | 179.8° |
| C40 | C39 | C45 | H29 | 180.0° | 179.8° |
| C37 | C39 | C45 | C44 | 180.0° | 179.7° |
| C39 | C37 | C36 | H24 | 128.0° | 159.5° |
| C39 | C37 | C36 | H25 | 114.5° | 79.3° |
| C37 | C39 | C45 | H29 | 0.0° | 0.3° |
| O38 | C37 | C39 | C45 | 16.8° | 12.1° |
| O38 | C37 | C36 | H24 | 52.0° | 20.5° |
| O38 | C37 | C36 | H25 | 65.5° | 100.8° |
| C42 | C43 | C44 | H27 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.0° | 0.1° |
| C42 | C43 | C44 | H28 | 180.0° | 179.9° |
| C39 | C45 | C44 | C43 | 0.0° | 0.0° |
| C39 | C45 | C44 | H29 | 180.0° | 180.0° |
| C39 | C45 | C44 | H28 | 180.0° | 179.9° |
| C43 | C44 | C45 | H28 | 180.0° | 180.0° |
| C44 | C43 | C42 | H26 | 179.9° | 180.0° |
| C43 | C44 | C45 | H29 | 180.0° | 180.0° |
| C45 | C44 | C43 | H27 | 180.0° | 179.9° |
| H1 | C10 | C09 | H14 | 107.6° | 60.0° |
| H1 | C10 | C09 | H15 | 133.9° | 180.0° |
| H2 | C10 | C09 | H14 | 12.4° | 180.0° |
| H2 | C10 | C09 | H15 | 106.1° | 60.0° |
| H3 | C13 | C12 | H16 | 0.1° | 0.1° |
| H4 | C15 | C16 | H17 | 0.2° | 0.0° |
| H5 | C26 | H6 | H7 | 120.0° | 120.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H19 | C29 | H20 | H21 | 120.0° | 120.1° |
| H23 | C35 | C36 | H24 | 5.9° | 58.2° |
| H23 | C35 | C36 | H25 | 123.4° | 179.4° |
| H26 | C42 | C43 | H27 | 0.1° | 0.0° |
| H27 | C43 | C44 | H28 | 0.0° | 0.1° |
| H28 | C44 | C45 | H29 | 0.0° | 0.1° |
| H30 | C46 | C47 | H32 | 96.1° | 50.8° |
| H30 | C46 | C47 | H33 | 23.0° | 170.6° |
| H31 | C46 | C47 | H32 | 23.1° | 69.7° |
| H31 | C46 | C47 | H33 | 142.2° | 50.0° |
| H35 | C51 | H36 | H37 | 120.0° | 120.0° |
