5BF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| O13 | C14 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C16 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | O08 | sing | 1.43Å | 1.41Å | |
| O08 | C07 | sing | 1.36Å | 1.36Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C01 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.46Å | 1.49Å | |
| C22 | O23 | doub | 1.21Å | 1.21Å | |
| C24 | N25 | sing | 1.37Å | 1.34Å | Aromatic |
| C05 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C28 | N25 | sing | 1.37Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.47Å | 1.46Å | |
| C04 | C32 | sing | 1.53Å | 1.53Å | |
| N31 | C29 | sing | 1.36Å | 1.38Å | |
| N31 | C32 | sing | 1.46Å | 1.47Å | |
| C29 | O30 | doub | 1.22Å | 1.21Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C33 | O34 | doub | 1.21Å | 1.32Å | |
| C33 | N35 | sing | 1.35Å | 1.27Å | |
| N35 | C36 | sing | 1.46Å | 1.45Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C36 | C39 | sing | 1.53Å | 1.51Å | |
| C37 | O38 | doub | 1.21Å | 1.22Å | |
| C39 | C40 | sing | 1.51Å | 1.49Å | |
| C45 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| N25 | H23 | sing | 0.97Å | 1.00Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| N31 | H26 | sing | 0.97Å | 1.00Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| N35 | H28 | sing | 0.97Å | 1.00Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| C42 | H34 | sing | 1.08Å | 1.08Å | |
| C43 | H35 | sing | 1.08Å | 1.08Å | |
| C44 | H36 | sing | 1.08Å | 1.08Å | |
| C45 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 104.0° | 109.4° |
| C10 | C09 | O08 | 109.6° | 109.4° |
| C10 | C09 | H7 | 109.4° | 109.5° |
| C10 | C09 | H8 | 109.4° | 109.5° |
| C09 | C10 | H9 | 110.8° | 109.5° |
| C09 | C10 | H10 | 110.8° | 109.5° |
| C10 | C11 | C12 | 104.5° | 109.3° |
| C11 | C10 | H9 | 110.8° | 109.5° |
| C11 | C10 | H10 | 110.8° | 109.5° |
| C10 | C11 | H11 | 110.7° | 109.5° |
| C10 | C11 | H12 | 110.7° | 109.5° |
| C12 | O13 | C14 | 120.3° | 117.0° |
| O13 | C12 | C11 | 101.9° | 109.8° |
| O13 | C12 | H13 | 111.3° | 109.4° |
| O13 | C12 | H14 | 111.3° | 109.4° |
| O13 | C14 | C15 | 114.3° | 120.0° |
| O13 | C14 | C17 | 124.0° | 120.1° |
| C16 | C15 | C14 | 119.7° | 119.9° |
| C15 | C16 | C19 | 120.1° | 120.1° |
| C16 | C15 | H15 | 120.1° | 120.1° |
| C15 | C16 | H16 | 120.0° | 119.9° |
| C15 | C14 | C17 | 121.7° | 119.9° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C12 | C11 | H11 | 110.7° | 109.5° |
| C12 | C11 | H12 | 110.7° | 109.5° |
| C11 | C12 | H13 | 111.3° | 109.4° |
| C11 | C12 | H14 | 111.3° | 109.4° |
| C16 | C19 | C20 | 116.4° | 119.9° |
| C16 | C19 | C18 | 120.8° | 120.1° |
| C19 | C16 | H16 | 119.9° | 120.0° |
| C14 | C17 | C18 | 118.2° | 120.0° |
| C14 | C17 | H17 | 120.9° | 120.0° |
| C09 | O08 | C07 | 122.9° | 117.5° |
| O08 | C09 | H7 | 109.4° | 109.5° |
| O08 | C09 | H8 | 109.4° | 109.5° |
| O08 | C07 | C01 | 118.6° | 120.0° |
| O08 | C07 | C06 | 121.1° | 120.2° |
| C20 | C19 | C18 | 122.8° | 120.0° |
| C19 | C20 | C21 | 107.5° | 109.3° |
| C19 | C20 | H19 | 109.9° | 109.5° |
| C19 | C20 | H20 | 110.0° | 109.5° |
| C19 | C18 | C17 | 119.5° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C17 | H17 | 120.9° | 120.0° |
| C17 | C18 | H18 | 120.3° | 120.0° |
| C01 | C07 | C06 | 120.3° | 119.9° |
| C07 | C01 | C02 | 120.2° | 120.0° |
| C07 | C01 | H1 | 119.9° | 120.0° |
| C07 | C06 | C05 | 119.7° | 119.9° |
| C07 | C06 | H6 | 120.1° | 120.0° |
| C01 | C02 | C03 | 119.7° | 120.1° |
| C02 | C01 | H1 | 119.9° | 120.0° |
| C01 | C02 | H2 | 120.1° | 120.0° |
| C20 | C21 | C22 | 109.1° | 109.9° |
| C21 | C20 | H19 | 110.0° | 109.4° |
| C21 | C20 | H20 | 110.0° | 109.4° |
| C20 | C21 | H21 | 109.6° | 109.4° |
| C20 | C21 | H22 | 109.6° | 109.4° |
| C21 | C22 | C24 | 121.3° | 120.0° |
| C21 | C22 | O23 | 120.0° | 120.0° |
| C22 | C21 | H21 | 109.6° | 109.4° |
| C22 | C21 | H22 | 109.5° | 109.4° |
| C06 | C05 | C03 | 120.0° | 120.0° |
| C06 | C05 | H5 | 120.0° | 120.0° |
| C05 | C06 | H6 | 120.1° | 120.0° |
| C02 | C03 | C05 | 119.9° | 120.2° |
| C02 | C03 | C04 | 119.8° | 119.4° |
| C03 | C02 | H2 | 120.1° | 120.0° |
| C27 | C26 | C24 | 108.0° | 107.5° |
| C26 | C27 | C28 | 105.2° | 107.4° |
| C27 | C26 | H24 | 126.0° | 126.3° |
| C26 | C27 | H25 | 127.4° | 126.3° |
| C26 | C24 | C22 | 128.6° | 126.3° |
| C26 | C24 | N25 | 108.0° | 108.1° |
| C24 | C26 | H24 | 126.0° | 126.2° |
| C27 | C28 | N25 | 110.6° | 108.3° |
| C27 | C28 | C29 | 126.8° | 126.2° |
| C28 | C27 | H25 | 127.4° | 126.3° |
| C24 | C22 | O23 | 118.7° | 120.0° |
| C22 | C24 | N25 | 123.4° | 125.6° |
| C24 | N25 | C28 | 108.2° | 108.6° |
| C24 | N25 | H23 | 125.9° | 125.7° |
| C05 | C03 | C04 | 120.3° | 120.4° |
| C03 | C05 | H5 | 120.0° | 120.0° |
| C03 | C04 | C32 | 110.7° | 110.2° |
| C03 | C04 | H3 | 109.1° | 109.3° |
| C03 | C04 | H4 | 109.2° | 109.3° |
| N25 | C28 | C29 | 122.6° | 125.5° |
| C28 | N25 | H23 | 125.9° | 125.7° |
| C28 | C29 | N31 | 119.3° | 119.6° |
| C28 | C29 | O30 | 116.8° | 120.2° |
| C04 | C32 | N31 | 109.2° | 109.8° |
| C04 | C32 | C33 | 108.4° | 109.5° |
| C32 | C04 | H3 | 109.2° | 109.4° |
| C32 | C04 | H4 | 109.2° | 109.4° |
| C04 | C32 | H27 | 110.0° | 109.4° |
| C29 | N31 | C32 | 110.1° | 115.6° |
| N31 | C29 | O30 | 124.0° | 120.2° |
| C29 | N31 | H26 | 125.0° | 122.2° |
| N31 | C32 | C33 | 107.9° | 109.3° |
| C32 | N31 | H26 | 124.9° | 122.2° |
| N31 | C32 | H27 | 110.8° | 109.4° |
| C32 | C33 | O34 | 118.8° | 120.0° |
| C32 | C33 | N35 | 119.5° | 120.0° |
| C33 | C32 | H27 | 110.5° | 109.5° |
| O34 | C33 | N35 | 121.7° | 120.0° |
| C33 | N35 | C36 | 118.8° | 120.0° |
| C33 | N35 | H28 | 120.6° | 120.0° |
| N35 | C36 | C37 | 108.6° | 109.5° |
| N35 | C36 | C39 | 110.1° | 109.4° |
| C36 | N35 | H28 | 120.6° | 120.0° |
| N35 | C36 | H29 | 111.7° | 109.5° |
| C37 | C36 | C39 | 104.5° | 109.5° |
| C36 | C37 | O38 | 119.0° | 120.0° |
| C37 | C36 | H29 | 111.0° | 109.5° |
| C36 | C37 | H30 | 120.5° | 120.0° |
| C36 | C39 | C40 | 113.1° | 109.5° |
| C39 | C36 | H29 | 110.8° | 109.5° |
| C36 | C39 | H31 | 108.6° | 109.5° |
| C36 | C39 | H32 | 108.5° | 109.4° |
| O38 | C37 | H30 | 120.5° | 120.0° |
| C39 | C40 | C45 | 117.4° | 120.0° |
| C39 | C40 | C41 | 122.3° | 120.0° |
| C40 | C39 | H31 | 108.6° | 109.5° |
| C40 | C39 | H32 | 108.6° | 109.5° |
| C40 | C45 | C44 | 120.2° | 120.0° |
| C45 | C40 | C41 | 120.3° | 120.0° |
| C40 | C45 | H37 | 119.9° | 120.0° |
| C45 | C44 | C43 | 120.0° | 120.0° |
| C45 | C44 | H36 | 120.0° | 120.0° |
| C44 | C45 | H37 | 119.9° | 120.0° |
| C40 | C41 | C42 | 119.4° | 120.0° |
| C40 | C41 | H33 | 120.3° | 119.9° |
| C44 | C43 | C42 | 120.0° | 120.0° |
| C44 | C43 | H35 | 120.0° | 120.0° |
| C43 | C44 | H36 | 120.0° | 120.0° |
| C43 | C42 | C41 | 120.2° | 120.0° |
| C43 | C42 | H34 | 119.9° | 120.0° |
| C42 | C43 | H35 | 120.0° | 120.0° |
| C42 | C41 | H33 | 120.3° | 120.1° |
| C41 | C42 | H34 | 119.9° | 120.0° |
| H3 | C04 | H4 | 109.5° | 109.3° |
| H7 | C09 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.6° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.6° |
| H21 | C21 | H22 | 109.5° | 109.3° |
| H31 | C39 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H9 | 119.1° | 120.0° |
| C09 | C10 | C11 | H10 | 119.1° | 119.9° |
| C09 | C10 | C11 | C12 | 144.8° | 172.4° |
| C10 | C09 | O08 | H7 | 120.0° | 120.0° |
| C10 | C09 | O08 | H8 | 120.0° | 120.0° |
| C10 | C09 | O08 | C07 | 100.1° | 110.6° |
| C10 | C09 | H7 | H8 | 120.0° | 120.0° |
| C09 | C10 | H9 | H10 | 122.5° | 120.0° |
| C09 | C10 | C11 | H11 | 25.6° | 52.5° |
| C09 | C10 | C11 | H12 | 96.0° | 67.6° |
| C10 | C11 | C12 | O13 | 96.8° | 152.7° |
| C10 | C11 | C12 | H11 | 119.2° | 120.0° |
| C10 | C11 | C12 | H12 | 119.2° | 119.9° |
| C11 | C10 | C09 | O08 | 96.6° | 168.2° |
| C11 | C10 | C09 | H7 | 23.4° | 71.8° |
| C11 | C10 | C09 | H8 | 143.4° | 48.2° |
| C11 | C10 | H9 | H10 | 122.5° | 120.0° |
| C10 | C11 | H11 | H12 | 122.3° | 120.1° |
| C10 | C11 | C12 | H13 | 144.5° | 32.7° |
| C10 | C11 | C12 | H14 | 22.0° | 87.2° |
| C12 | O13 | C14 | C15 | 161.0° | 52.6° |
| O13 | C12 | C11 | H13 | 118.8° | 120.1° |
| O13 | C12 | C11 | H14 | 118.8° | 120.1° |
| C12 | O13 | C14 | C17 | 18.8° | 127.8° |
| O13 | C12 | C11 | H11 | 144.0° | 87.3° |
| O13 | C12 | C11 | H12 | 22.4° | 32.8° |
| O13 | C12 | H13 | H14 | 123.5° | 119.9° |
| O13 | C14 | C15 | C16 | 179.0° | 179.3° |
| O13 | C14 | C15 | C17 | 179.8° | 179.6° |
| C14 | O13 | C12 | C11 | 102.5° | 70.5° |
| O13 | C14 | C17 | C18 | 179.6° | 179.0° |
| C14 | O13 | C12 | H13 | 16.3° | 49.6° |
| C14 | O13 | C12 | H14 | 138.7° | 169.4° |
| O13 | C14 | C15 | H15 | 1.0° | 0.7° |
| O13 | C14 | C17 | H17 | 0.4° | 1.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C16 | C19 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | C17 | 0.8° | 1.1° |
| C15 | C16 | C19 | C20 | 178.8° | 179.0° |
| C15 | C16 | C19 | C18 | 0.0° | 1.0° |
| C14 | C15 | C16 | C19 | 0.7° | 0.1° |
| C15 | C14 | C17 | C18 | 0.2° | 1.4° |
| C14 | C15 | C16 | H16 | 179.3° | 179.9° |
| C15 | C14 | C17 | H17 | 179.9° | 178.6° |
| C12 | C11 | C10 | H9 | 96.1° | 67.6° |
| C12 | C11 | C10 | H10 | 25.7° | 52.5° |
| C12 | C11 | H11 | H12 | 122.3° | 120.1° |
| C11 | C12 | H13 | H14 | 123.5° | 119.8° |
| C16 | C19 | C20 | C18 | 178.8° | 180.0° |
| C16 | C19 | C18 | C17 | 0.7° | 0.6° |
| C16 | C19 | C20 | C21 | 89.5° | 107.9° |
| C19 | C16 | C15 | H15 | 179.3° | 179.9° |
| C16 | C19 | C18 | H18 | 179.4° | 179.3° |
| C16 | C19 | C20 | H19 | 30.2° | 12.0° |
| C16 | C19 | C20 | H20 | 150.8° | 132.2° |
| C14 | C17 | C18 | C19 | 0.6° | 0.6° |
| C14 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C14 | C15 | H15 | 179.2° | 178.9° |
| C14 | C17 | C18 | H18 | 179.5° | 179.5° |
| C09 | O08 | C07 | C01 | 128.2° | 51.1° |
| C09 | O08 | C07 | C06 | 53.8° | 128.6° |
| O08 | C09 | H7 | H8 | 119.9° | 120.0° |
| O08 | C09 | C10 | H9 | 22.6° | 48.1° |
| O08 | C09 | C10 | H10 | 144.3° | 71.9° |
| O08 | C07 | C01 | C06 | 178.0° | 179.7° |
| O08 | C07 | C01 | C02 | 179.0° | 179.3° |
| O08 | C07 | C06 | C05 | 178.9° | 179.9° |
| O08 | C07 | C01 | H1 | 1.1° | 0.4° |
| O08 | C07 | C06 | H6 | 1.1° | 0.2° |
| C07 | O08 | C09 | H7 | 19.9° | 129.4° |
| C07 | O08 | C09 | H8 | 139.9° | 9.4° |
| C20 | C19 | C18 | C17 | 179.4° | 179.4° |
| C19 | C20 | C21 | H19 | 119.7° | 120.0° |
| C19 | C20 | C21 | H20 | 119.7° | 120.0° |
| C19 | C20 | C21 | C22 | 73.1° | 163.3° |
| C20 | C19 | C16 | H16 | 1.2° | 0.9° |
| C20 | C19 | C18 | H18 | 0.6° | 0.6° |
| C19 | C20 | H19 | H20 | 120.9° | 120.1° |
| C19 | C20 | C21 | H21 | 46.8° | 76.6° |
| C19 | C20 | C21 | H22 | 167.0° | 43.2° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 89.3° | 72.2° |
| C18 | C19 | C16 | H16 | 180.0° | 179.1° |
| C19 | C18 | C17 | H17 | 179.4° | 179.4° |
| C18 | C19 | C20 | H19 | 151.0° | 167.9° |
| C18 | C19 | C20 | H20 | 30.4° | 47.8° |
| C07 | C01 | C02 | H1 | 180.0° | 179.7° |
| C01 | C07 | C06 | C05 | 0.9° | 0.4° |
| C07 | C01 | C02 | C03 | 0.4° | 1.1° |
| C07 | C01 | C02 | H2 | 179.6° | 178.9° |
| C01 | C07 | C06 | H6 | 179.1° | 179.9° |
| C06 | C07 | C01 | C02 | 0.9° | 1.0° |
| C07 | C06 | C05 | H6 | 180.0° | 179.7° |
| C07 | C06 | C05 | C03 | 0.4° | 0.1° |
| C06 | C07 | C01 | H1 | 179.1° | 179.3° |
| C07 | C06 | C05 | H5 | 179.6° | 179.8° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | C05 | 0.2° | 0.6° |
| C01 | C02 | C03 | C04 | 179.8° | 179.7° |
| C20 | C21 | C22 | H21 | 119.9° | 120.1° |
| C20 | C21 | C22 | H22 | 119.9° | 120.2° |
| C20 | C21 | C22 | C24 | 104.6° | 139.9° |
| C20 | C21 | C22 | O23 | 75.4° | 40.1° |
| C21 | C20 | H19 | H20 | 120.9° | 120.0° |
| C20 | C21 | H21 | H22 | 120.2° | 119.9° |
| C21 | C22 | C24 | C26 | 4.4° | 178.4° |
| C21 | C22 | C24 | O23 | 180.0° | 180.0° |
| C21 | C22 | C24 | N25 | 177.6° | 1.0° |
| C22 | C21 | C20 | H19 | 167.2° | 43.3° |
| C22 | C21 | C20 | H20 | 46.6° | 76.8° |
| C22 | C21 | H21 | H22 | 120.2° | 119.8° |
| C06 | C05 | C03 | C02 | 0.2° | 0.0° |
| C06 | C05 | C03 | H5 | 180.0° | 179.9° |
| C06 | C05 | C03 | C04 | 179.8° | 179.8° |
| C02 | C03 | C05 | C04 | 179.6° | 179.7° |
| C02 | C03 | C04 | C32 | 99.5° | 139.3° |
| C03 | C02 | C01 | H1 | 179.6° | 179.2° |
| C02 | C03 | C04 | H3 | 140.3° | 19.1° |
| C02 | C03 | C04 | H4 | 20.6° | 100.4° |
| C02 | C03 | C05 | H5 | 179.9° | 179.9° |
| C27 | C26 | C24 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | H25 | 180.0° | 180.0° |
| C27 | C26 | C24 | C22 | 178.6° | 178.7° |
| C27 | C26 | C24 | N25 | 0.3° | 1.8° |
| C26 | C27 | C28 | N25 | 0.5° | 1.8° |
| C26 | C27 | C28 | C29 | 179.4° | 176.1° |
| C24 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C24 | C22 | N25 | 178.0° | 179.4° |
| C26 | C24 | C22 | O23 | 175.6° | 1.6° |
| C26 | C24 | N25 | C28 | 0.1° | 2.9° |
| C26 | C24 | N25 | H23 | 179.9° | 177.1° |
| C24 | C26 | C27 | H25 | 179.5° | 180.0° |
| C27 | C28 | N25 | C24 | 0.3° | 2.9° |
| C27 | C28 | N25 | C29 | 179.0° | 177.9° |
| C27 | C28 | C29 | N31 | 16.0° | 169.9° |
| C27 | C28 | C29 | O30 | 164.4° | 10.0° |
| C27 | C28 | N25 | H23 | 179.8° | 177.1° |
| C28 | C27 | C26 | H24 | 179.5° | 180.0° |
| C22 | C24 | N25 | C28 | 178.4° | 177.5° |
| C24 | C22 | C21 | H21 | 15.3° | 100.0° |
| C24 | C22 | C21 | H22 | 135.4° | 19.7° |
| C22 | C24 | N25 | H23 | 1.5° | 2.5° |
| C22 | C24 | C26 | H24 | 1.4° | 1.3° |
| O23 | C22 | C24 | N25 | 2.4° | 178.9° |
| O23 | C22 | C21 | H21 | 164.7° | 80.0° |
| O23 | C22 | C21 | H22 | 44.6° | 160.3° |
| C24 | N25 | C28 | H23 | 180.0° | 180.0° |
| C24 | N25 | C28 | C29 | 179.2° | 174.9° |
| N25 | C24 | C26 | H24 | 179.7° | 178.2° |
| C05 | C03 | C04 | C32 | 80.9° | 40.9° |
| C05 | C03 | C02 | H2 | 179.8° | 179.4° |
| C05 | C03 | C04 | H3 | 39.3° | 161.1° |
| C05 | C03 | C04 | H4 | 159.0° | 79.3° |
| C03 | C05 | C06 | H6 | 179.6° | 179.6° |
| C03 | C04 | C32 | H3 | 120.2° | 120.2° |
| C03 | C04 | C32 | H4 | 120.2° | 120.2° |
| C03 | C04 | C32 | N31 | 80.0° | 79.7° |
| C03 | C04 | C32 | C33 | 162.6° | 40.3° |
| C04 | C03 | C02 | H2 | 0.2° | 0.3° |
| C03 | C04 | H3 | H4 | 119.4° | 119.6° |
| C04 | C03 | C05 | H5 | 0.3° | 0.3° |
| C03 | C04 | C32 | H27 | 41.8° | 160.2° |
| N25 | C28 | C29 | N31 | 165.2° | 12.6° |
| N25 | C28 | C29 | O30 | 14.5° | 167.5° |
| N25 | C28 | C27 | H25 | 179.5° | 178.2° |
| C28 | C29 | N31 | O30 | 179.6° | 179.9° |
| C28 | C29 | N31 | C32 | 149.2° | 164.6° |
| C29 | C28 | N25 | H23 | 0.8° | 5.1° |
| C29 | C28 | C27 | H25 | 0.6° | 3.9° |
| C28 | C29 | N31 | H26 | 30.8° | 15.3° |
| C04 | C32 | N31 | C29 | 154.6° | 154.1° |
| C04 | C32 | N31 | C33 | 117.7° | 120.1° |
| C04 | C32 | N31 | H27 | 121.3° | 120.1° |
| C04 | C32 | C33 | H27 | 120.6° | 119.9° |
| C04 | C32 | C33 | O34 | 85.2° | 103.1° |
| C04 | C32 | C33 | N35 | 94.8° | 76.9° |
| C32 | C04 | H3 | H4 | 119.5° | 119.7° |
| C04 | C32 | N31 | H26 | 25.4° | 26.0° |
| C29 | N31 | C32 | H26 | 180.0° | 179.9° |
| C29 | N31 | C32 | C33 | 87.7° | 85.8° |
| C29 | N31 | C32 | H27 | 33.3° | 34.0° |
| C32 | N31 | C29 | O30 | 31.2° | 15.5° |
| N31 | C32 | C33 | H27 | 121.2° | 119.8° |
| N31 | C32 | C33 | O34 | 33.0° | 17.2° |
| N31 | C32 | C33 | N35 | 147.0° | 162.8° |
| N31 | C32 | C04 | H3 | 159.9° | 40.5° |
| N31 | C32 | C04 | H4 | 40.2° | 160.1° |
| O30 | C29 | N31 | H26 | 148.8° | 164.6° |
| C32 | C33 | O34 | N35 | 180.0° | 180.0° |
| C32 | C33 | N35 | C36 | 178.2° | 174.7° |
| C33 | C32 | C04 | H3 | 42.5° | 160.4° |
| C33 | C32 | C04 | H4 | 77.2° | 79.9° |
| C33 | C32 | N31 | H26 | 92.3° | 94.1° |
| C32 | C33 | N35 | H28 | 1.8° | 5.3° |
| O34 | C33 | N35 | C36 | 1.7° | 5.3° |
| O34 | C33 | C32 | H27 | 154.2° | 137.0° |
| O34 | C33 | N35 | H28 | 178.3° | 174.7° |
| C33 | N35 | C36 | H28 | 180.0° | 179.9° |
| C33 | N35 | C36 | C37 | 97.7° | 103.0° |
| C33 | N35 | C36 | C39 | 148.5° | 137.0° |
| N35 | C33 | C32 | H27 | 25.8° | 43.0° |
| C33 | N35 | C36 | H29 | 25.0° | 17.0° |
| N35 | C36 | C37 | C39 | 117.4° | 120.0° |
| N35 | C36 | C37 | H29 | 123.1° | 120.0° |
| N35 | C36 | C39 | H29 | 124.0° | 120.0° |
| N35 | C36 | C37 | O38 | 167.4° | 1.3° |
| N35 | C36 | C39 | C40 | 69.5° | 65.0° |
| N35 | C36 | C37 | H30 | 12.6° | 178.7° |
| N35 | C36 | C39 | H31 | 51.0° | 55.0° |
| N35 | C36 | C39 | H32 | 169.9° | 175.0° |
| C37 | C36 | C39 | H29 | 119.6° | 120.0° |
| C36 | C37 | O38 | H30 | 180.0° | 179.9° |
| C37 | C36 | C39 | C40 | 174.1° | 175.0° |
| C37 | C36 | N35 | H28 | 82.3° | 76.9° |
| C37 | C36 | C39 | H31 | 65.4° | 65.0° |
| C37 | C36 | C39 | H32 | 53.6° | 55.0° |
| C39 | C36 | C37 | O38 | 75.2° | 118.6° |
| C36 | C39 | C40 | H31 | 120.5° | 120.0° |
| C36 | C39 | C40 | H32 | 120.5° | 119.9° |
| C36 | C39 | C40 | C45 | 137.2° | 90.3° |
| C36 | C39 | C40 | C41 | 44.6° | 90.0° |
| C39 | C36 | N35 | H28 | 31.5° | 43.1° |
| C39 | C36 | C37 | H30 | 104.8° | 61.3° |
| C36 | C39 | H31 | H32 | 118.3° | 120.0° |
| O38 | C37 | C36 | H29 | 44.3° | 121.3° |
| C39 | C40 | C45 | C41 | 178.2° | 179.7° |
| C39 | C40 | C45 | C44 | 179.6° | 179.7° |
| C39 | C40 | C41 | C42 | 179.4° | 180.0° |
| C40 | C39 | C36 | H29 | 54.5° | 55.0° |
| C40 | C39 | H31 | H32 | 118.4° | 120.0° |
| C39 | C40 | C41 | H33 | 0.6° | 0.0° |
| C39 | C40 | C45 | H37 | 0.4° | 0.0° |
| C40 | C45 | C44 | H37 | 180.0° | 179.7° |
| C40 | C45 | C44 | C43 | 0.5° | 0.6° |
| C45 | C40 | C41 | C42 | 1.3° | 0.2° |
| C45 | C40 | C39 | H31 | 16.7° | 149.7° |
| C45 | C40 | C39 | H32 | 102.2° | 29.7° |
| C45 | C40 | C41 | H33 | 178.7° | 179.8° |
| C40 | C45 | C44 | H36 | 179.5° | 179.7° |
| C44 | C45 | C40 | C41 | 1.4° | 0.6° |
| C45 | C44 | C43 | H36 | 180.0° | 179.7° |
| C45 | C44 | C43 | C42 | 0.5° | 0.3° |
| C45 | C44 | C43 | H35 | 179.5° | 179.7° |
| C40 | C41 | C42 | C43 | 0.3° | 0.1° |
| C40 | C41 | C42 | H33 | 180.0° | 180.0° |
| C41 | C40 | C39 | H31 | 165.1° | 30.0° |
| C41 | C40 | C39 | H32 | 75.9° | 150.1° |
| C40 | C41 | C42 | H34 | 179.7° | 179.9° |
| C41 | C40 | C45 | H37 | 178.6° | 179.7° |
| C44 | C43 | C42 | H35 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 0.6° | 0.0° |
| C44 | C43 | C42 | H34 | 179.4° | 179.9° |
| C43 | C44 | C45 | H37 | 179.5° | 179.7° |
| C43 | C42 | C41 | H34 | 180.0° | 179.9° |
| C43 | C42 | C41 | H33 | 179.7° | 179.9° |
| C42 | C43 | C44 | H36 | 179.5° | 180.0° |
| C41 | C42 | C43 | H35 | 179.4° | 179.9° |
| H1 | C01 | C02 | H2 | 0.4° | 0.8° |
| H3 | C04 | C32 | H27 | 78.4° | 79.6° |
| H4 | C04 | C32 | H27 | 162.0° | 40.0° |
| H5 | C05 | C06 | H6 | 0.4° | 0.4° |
| H7 | C09 | C10 | H9 | 142.6° | 168.2° |
| H7 | C09 | C10 | H10 | 95.7° | 48.1° |
| H8 | C09 | C10 | H9 | 97.4° | 71.8° |
| H8 | C09 | C10 | H10 | 24.3° | 168.1° |
| H9 | C10 | C11 | H11 | 144.7° | 172.5° |
| H9 | C10 | C11 | H12 | 23.1° | 52.4° |
| H10 | C10 | C11 | H11 | 93.5° | 67.4° |
| H10 | C10 | C11 | H12 | 144.9° | 172.4° |
| H11 | C11 | C12 | H13 | 25.3° | 152.6° |
| H11 | C11 | C12 | H14 | 97.2° | 32.8° |
| H12 | C11 | C12 | H13 | 96.3° | 87.3° |
| H12 | C11 | C12 | H14 | 141.2° | 152.9° |
| H15 | C15 | C16 | H16 | 0.7° | 0.0° |
| H17 | C17 | C18 | H18 | 0.6° | 0.5° |
| H19 | C20 | C21 | H21 | 72.8° | 163.4° |
| H19 | C20 | C21 | H22 | 47.3° | 76.8° |
| H20 | C20 | C21 | H21 | 166.5° | 43.3° |
| H20 | C20 | C21 | H22 | 73.3° | 163.1° |
| H24 | C26 | C27 | H25 | 0.5° | 0.0° |
| H26 | N31 | C32 | H27 | 146.7° | 146.1° |
| H28 | N35 | C36 | H29 | 155.0° | 163.1° |
| H29 | C36 | C37 | H30 | 135.7° | 58.7° |
| H29 | C36 | C39 | H31 | 175.1° | 175.0° |
| H29 | C36 | C39 | H32 | 66.0° | 65.0° |
| H33 | C41 | C42 | H34 | 0.3° | 0.1° |
| H34 | C42 | C43 | H35 | 0.6° | 0.1° |
| H35 | C43 | C44 | H36 | 0.5° | 0.0° |
| H36 | C44 | C45 | H37 | 0.5° | 0.0° |
