BXJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | O03 | sing | 1.43Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| O03 | C02 | sing | 1.43Å | 1.41Å | |
| C05 | N06 | sing | 1.47Å | 1.44Å | |
| O45 | C07 | doub | 1.22Å | 1.22Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| N06 | C07 | sing | 1.35Å | 1.42Å | |
| N06 | C01 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.47Å | 1.49Å | |
| N44 | C09 | sing | 1.39Å | 1.36Å | |
| C09 | C08 | doub | 1.41Å | 1.44Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | N14 | sing | 1.39Å | 1.42Å | |
| N14 | C15 | sing | 1.38Å | 1.38Å | |
| C15 | N16 | doub | 1.30Å | 1.32Å | |
| C15 | C20 | sing | 1.48Å | 1.49Å | |
| N16 | C17 | sing | 1.47Å | 1.40Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| O21 | C20 | doub | 1.21Å | 1.22Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.34Å | 1.40Å | |
| C17 | C22 | sing | 1.51Å | 1.55Å | |
| C17 | C18 | sing | 1.51Å | 1.40Å | |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| N19 | C18 | doub | 1.30Å | 1.38Å | |
| C23 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C43 | sing | 1.51Å | 1.51Å | |
| C24 | N28 | sing | 1.40Å | 1.40Å | |
| N28 | C29 | sing | 1.35Å | 1.41Å | |
| O42 | C29 | doub | 1.22Å | 1.21Å | |
| C29 | C30 | sing | 1.47Å | 1.47Å | |
| C30 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | N36 | sing | 1.39Å | 1.42Å | |
| N36 | C41 | sing | 1.47Å | 1.48Å | |
| N36 | C37 | sing | 1.47Å | 1.48Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.08Å | 1.08Å | |
| C32 | H10 | sing | 1.08Å | 1.08Å | |
| C34 | H11 | sing | 1.08Å | 1.08Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| N14 | H34 | sing | 0.97Å | 1.00Å | |
| N28 | H35 | sing | 0.97Å | 1.00Å | |
| N44 | H36 | sing | 0.97Å | 1.00Å | |
| N44 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C04 | C05 | 111.3° | 109.2° |
| C04 | O03 | C02 | 112.6° | 114.2° |
| O03 | C04 | H16 | 109.0° | 109.5° |
| O03 | C04 | H17 | 109.0° | 109.5° |
| C04 | C05 | N06 | 111.6° | 108.3° |
| C05 | C04 | H16 | 109.0° | 109.5° |
| C05 | C04 | H17 | 109.0° | 109.5° |
| C04 | C05 | H18 | 108.9° | 109.7° |
| C04 | C05 | H19 | 109.0° | 109.7° |
| O03 | C02 | C01 | 113.0° | 109.2° |
| O03 | C02 | H14 | 108.6° | 109.5° |
| O03 | C02 | H15 | 108.6° | 109.5° |
| C05 | N06 | C07 | 128.6° | 121.0° |
| C05 | N06 | C01 | 108.7° | 118.0° |
| N06 | C05 | H18 | 109.0° | 109.7° |
| N06 | C05 | H19 | 108.9° | 109.7° |
| O45 | C07 | N06 | 117.2° | 120.0° |
| O45 | C07 | C08 | 121.4° | 120.0° |
| C02 | C01 | N06 | 109.7° | 108.4° |
| C02 | C01 | H12 | 109.4° | 109.7° |
| C02 | C01 | H13 | 109.4° | 109.7° |
| C01 | C02 | H14 | 108.6° | 109.5° |
| C01 | C02 | H15 | 108.6° | 109.5° |
| C07 | N06 | C01 | 122.6° | 121.0° |
| N06 | C07 | C08 | 121.3° | 120.0° |
| N06 | C01 | H12 | 109.4° | 109.7° |
| N06 | C01 | H13 | 109.4° | 109.6° |
| C07 | C08 | C09 | 119.8° | 120.1° |
| C07 | C08 | C13 | 127.1° | 120.2° |
| N44 | C09 | C08 | 120.5° | 120.2° |
| N44 | C09 | C10 | 120.6° | 120.2° |
| C09 | N44 | H36 | 109.5° | 120.0° |
| C09 | N44 | H37 | 109.4° | 120.0° |
| C08 | C09 | C10 | 118.9° | 119.6° |
| C09 | C08 | C13 | 113.1° | 119.7° |
| C09 | C10 | C11 | 126.6° | 119.9° |
| C09 | C10 | H8 | 116.8° | 120.1° |
| C08 | C13 | C12 | 127.1° | 120.1° |
| C08 | C13 | H5 | 116.4° | 119.9° |
| C10 | C11 | C12 | 112.6° | 120.3° |
| C10 | C11 | N14 | 125.0° | 119.9° |
| C11 | C10 | H8 | 116.7° | 120.1° |
| C13 | C12 | C11 | 121.7° | 120.4° |
| C12 | C13 | H5 | 116.5° | 119.9° |
| C13 | C12 | H6 | 119.2° | 119.8° |
| C12 | C11 | N14 | 122.3° | 119.8° |
| C11 | C12 | H6 | 119.2° | 119.8° |
| C11 | N14 | C15 | 133.7° | 120.0° |
| C11 | N14 | H34 | 113.2° | 119.9° |
| N14 | C15 | N16 | 123.7° | 119.9° |
| N14 | C15 | C20 | 115.9° | 119.8° |
| C15 | N14 | H34 | 113.2° | 120.0° |
| N16 | C15 | C20 | 120.4° | 120.3° |
| C15 | N16 | C17 | 124.5° | 118.4° |
| C15 | C20 | O21 | 127.0° | 119.1° |
| C15 | C20 | N19 | 114.6° | 121.8° |
| N16 | C17 | C22 | 118.6° | 107.7° |
| N16 | C17 | C18 | 116.1° | 118.3° |
| N16 | C17 | H2 | 90.4° | 107.6° |
| C26 | C27 | C22 | 123.3° | 120.1° |
| C27 | C26 | C25 | 121.4° | 120.1° |
| C27 | C26 | H4 | 119.3° | 120.0° |
| C26 | C27 | H7 | 118.4° | 119.9° |
| C27 | C22 | C17 | 121.0° | 119.9° |
| C27 | C22 | C23 | 113.1° | 120.1° |
| C22 | C27 | H7 | 118.3° | 119.9° |
| O21 | C20 | N19 | 118.4° | 119.1° |
| C26 | C25 | C24 | 118.3° | 119.9° |
| C26 | C25 | H3 | 120.9° | 120.0° |
| C25 | C26 | H4 | 119.3° | 119.9° |
| C20 | N19 | C18 | 122.8° | 121.7° |
| C22 | C17 | C18 | 125.2° | 107.7° |
| C17 | C22 | C23 | 125.9° | 120.0° |
| C22 | C17 | H2 | 90.4° | 107.4° |
| C17 | C18 | N19 | 121.6° | 119.5° |
| C17 | C18 | H1 | 119.2° | 120.3° |
| C18 | C17 | H2 | 90.4° | 107.7° |
| C22 | C23 | C24 | 124.9° | 120.0° |
| C22 | C23 | C43 | 118.9° | 120.0° |
| C25 | C24 | C23 | 119.0° | 119.9° |
| C25 | C24 | N28 | 122.7° | 120.1° |
| C24 | C25 | H3 | 120.9° | 120.1° |
| N19 | C18 | H1 | 119.2° | 120.3° |
| C24 | C23 | C43 | 116.2° | 120.1° |
| C23 | C24 | N28 | 118.3° | 120.1° |
| C23 | C43 | H31 | 109.5° | 109.4° |
| C23 | C43 | H32 | 109.5° | 109.4° |
| C23 | C43 | H33 | 109.5° | 109.5° |
| C24 | N28 | C29 | 124.2° | 120.0° |
| C24 | N28 | H35 | 117.9° | 120.0° |
| N28 | C29 | O42 | 119.0° | 120.0° |
| N28 | C29 | C30 | 119.6° | 120.0° |
| C29 | N28 | H35 | 117.9° | 119.9° |
| O42 | C29 | C30 | 121.3° | 120.0° |
| C29 | C30 | C35 | 122.7° | 120.1° |
| C29 | C30 | C31 | 123.6° | 120.1° |
| C35 | C30 | C31 | 113.6° | 119.9° |
| C30 | C35 | C34 | 125.1° | 119.9° |
| C30 | C35 | H20 | 117.4° | 120.0° |
| C30 | C31 | C32 | 121.8° | 119.9° |
| C30 | C31 | H9 | 119.1° | 120.1° |
| C35 | C34 | C33 | 122.4° | 120.0° |
| C35 | C34 | H11 | 118.8° | 120.0° |
| C34 | C35 | H20 | 117.5° | 120.0° |
| C31 | C32 | C33 | 124.3° | 120.1° |
| C32 | C31 | H9 | 119.1° | 120.0° |
| C31 | C32 | H10 | 117.8° | 120.0° |
| C34 | C33 | C32 | 112.8° | 120.2° |
| C34 | C33 | N36 | 122.0° | 119.9° |
| C33 | C34 | H11 | 118.8° | 120.0° |
| C32 | C33 | N36 | 125.2° | 119.9° |
| C33 | C32 | H10 | 117.9° | 120.0° |
| C33 | N36 | C41 | 119.6° | 111.0° |
| C33 | N36 | C37 | 117.9° | 111.0° |
| C41 | N36 | C37 | 105.3° | 111.2° |
| N36 | C41 | C40 | 114.2° | 109.5° |
| N36 | C41 | H29 | 108.3° | 109.4° |
| N36 | C41 | H30 | 108.2° | 109.5° |
| N36 | C37 | C38 | 114.6° | 109.5° |
| N36 | C37 | H21 | 108.2° | 109.5° |
| N36 | C37 | H22 | 108.2° | 109.5° |
| C41 | C40 | C39 | 114.4° | 109.3° |
| C41 | C40 | H27 | 108.2° | 109.5° |
| C41 | C40 | H28 | 108.2° | 109.6° |
| C40 | C41 | H29 | 108.3° | 109.5° |
| C40 | C41 | H30 | 108.3° | 109.4° |
| C40 | C39 | C38 | 113.0° | 109.1° |
| C40 | C39 | H25 | 108.6° | 109.6° |
| C40 | C39 | H26 | 108.6° | 109.5° |
| C39 | C40 | H27 | 108.2° | 109.5° |
| C39 | C40 | H28 | 108.2° | 109.5° |
| C37 | C38 | C39 | 114.9° | 109.3° |
| C38 | C37 | H21 | 108.2° | 109.5° |
| C38 | C37 | H22 | 108.2° | 109.5° |
| C37 | C38 | H23 | 108.1° | 109.5° |
| C37 | C38 | H24 | 108.1° | 109.5° |
| C39 | C38 | H23 | 108.1° | 109.5° |
| C39 | C38 | H24 | 108.1° | 109.5° |
| C38 | C39 | H25 | 108.6° | 109.5° |
| C38 | C39 | H26 | 108.6° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.7° |
| H14 | C02 | H15 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H18 | C05 | H19 | 109.5° | 109.8° |
| H21 | C37 | H22 | 109.5° | 109.4° |
| H23 | C38 | H24 | 109.5° | 109.5° |
| H25 | C39 | H26 | 109.5° | 109.6° |
| H27 | C40 | H28 | 109.5° | 109.5° |
| H29 | C41 | H30 | 109.5° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.4° |
| H31 | C43 | H33 | 109.5° | 109.5° |
| H32 | C43 | H33 | 109.5° | 109.5° |
| H36 | N44 | H37 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C04 | C05 | H16 | 120.3° | 119.9° |
| O03 | C04 | C05 | H17 | 120.3° | 120.0° |
| O03 | C04 | C05 | N06 | 55.6° | 52.3° |
| C04 | O03 | C02 | C01 | 53.7° | 62.6° |
| C04 | O03 | C02 | H14 | 174.3° | 57.3° |
| C04 | O03 | C02 | H15 | 66.8° | 177.5° |
| O03 | C04 | H16 | H17 | 119.1° | 120.1° |
| O03 | C04 | C05 | H18 | 175.9° | 172.0° |
| O03 | C04 | C05 | H19 | 64.7° | 67.4° |
| C05 | C04 | O03 | C02 | 52.2° | 62.6° |
| C04 | C05 | N06 | H18 | 120.3° | 119.7° |
| C04 | C05 | N06 | H19 | 120.3° | 119.7° |
| C04 | C05 | N06 | C07 | 120.7° | 129.5° |
| C04 | C05 | N06 | C01 | 58.0° | 50.5° |
| C05 | C04 | H16 | H17 | 119.2° | 120.1° |
| C04 | C05 | H18 | H19 | 119.0° | 120.6° |
| O03 | C02 | C01 | H14 | 120.5° | 120.0° |
| O03 | C02 | C01 | H15 | 120.5° | 119.9° |
| O03 | C02 | C01 | N06 | 56.1° | 52.4° |
| O03 | C02 | C01 | H12 | 64.0° | 67.4° |
| O03 | C02 | C01 | H13 | 176.1° | 172.1° |
| O03 | C02 | H14 | H15 | 118.4° | 120.1° |
| C02 | O03 | C04 | H16 | 68.1° | 177.4° |
| C02 | O03 | C04 | H17 | 172.5° | 57.4° |
| C05 | N06 | C07 | O45 | 0.6° | 4.2° |
| C05 | N06 | C01 | C02 | 57.5° | 50.6° |
| C05 | N06 | C07 | C01 | 178.5° | 180.0° |
| C05 | N06 | C07 | C08 | 177.9° | 175.9° |
| C05 | N06 | C01 | H12 | 62.5° | 69.2° |
| C05 | N06 | C01 | H13 | 177.5° | 170.3° |
| N06 | C05 | C04 | H16 | 64.7° | 172.2° |
| N06 | C05 | C04 | H17 | 175.9° | 67.7° |
| N06 | C05 | H18 | H19 | 119.0° | 120.6° |
| O45 | C07 | N06 | C08 | 178.5° | 179.9° |
| O45 | C07 | N06 | C01 | 179.1° | 175.8° |
| O45 | C07 | C08 | C09 | 110.4° | 54.4° |
| O45 | C07 | C08 | C13 | 71.5° | 125.2° |
| C02 | C01 | N06 | C07 | 121.3° | 129.4° |
| C02 | C01 | N06 | H12 | 120.0° | 119.8° |
| C02 | C01 | N06 | H13 | 120.0° | 119.7° |
| C02 | C01 | H12 | H13 | 119.9° | 120.5° |
| C01 | C02 | H14 | H15 | 118.4° | 120.1° |
| N06 | C07 | C08 | C09 | 68.0° | 125.7° |
| N06 | C07 | C08 | C13 | 110.1° | 54.7° |
| C07 | N06 | C01 | H12 | 118.7° | 110.8° |
| C07 | N06 | C01 | H13 | 1.2° | 9.7° |
| C07 | N06 | C05 | H18 | 0.4° | 9.8° |
| C07 | N06 | C05 | H19 | 119.0° | 110.8° |
| C01 | N06 | C07 | C08 | 0.6° | 4.1° |
| N06 | C01 | H12 | H13 | 119.9° | 120.5° |
| N06 | C01 | C02 | H14 | 176.6° | 67.6° |
| N06 | C01 | C02 | H15 | 64.5° | 172.3° |
| C01 | N06 | C05 | H18 | 178.3° | 170.2° |
| C01 | N06 | C05 | H19 | 62.3° | 69.2° |
| C07 | C08 | C09 | N44 | 1.3° | 0.1° |
| C07 | C08 | C09 | C13 | 178.4° | 179.6° |
| C07 | C08 | C09 | C10 | 179.1° | 180.0° |
| C07 | C08 | C13 | C12 | 179.1° | 180.0° |
| C07 | C08 | C13 | H5 | 0.9° | 0.2° |
| N44 | C09 | C08 | C10 | 179.6° | 179.9° |
| N44 | C09 | C08 | C13 | 179.7° | 179.5° |
| N44 | C09 | C10 | C11 | 179.4° | 179.7° |
| N44 | C09 | C10 | H8 | 0.7° | 0.3° |
| C09 | N44 | H36 | H37 | 120.0° | 180.0° |
| C08 | C09 | C10 | C11 | 1.1° | 0.2° |
| C09 | C08 | C13 | C12 | 0.9° | 0.4° |
| C09 | C08 | C13 | H5 | 179.1° | 179.8° |
| C08 | C09 | C10 | H8 | 178.9° | 179.8° |
| C08 | C09 | N44 | H36 | 180.0° | 4.9° |
| C08 | C09 | N44 | H37 | 60.0° | 175.0° |
| C10 | C09 | C08 | C13 | 0.8° | 0.4° |
| C09 | C10 | C11 | H8 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 1.2° | 0.1° |
| C09 | C10 | C11 | N14 | 179.3° | 180.0° |
| C10 | C09 | N44 | H36 | 0.4° | 175.0° |
| C10 | C09 | N44 | H37 | 120.4° | 5.1° |
| C08 | C13 | C12 | H5 | 180.0° | 179.8° |
| C08 | C13 | C12 | C11 | 1.1° | 0.2° |
| C08 | C13 | C12 | H6 | 178.9° | 179.8° |
| C10 | C11 | C12 | C13 | 1.2° | 0.1° |
| C10 | C11 | C12 | N14 | 178.2° | 179.9° |
| C10 | C11 | N14 | C15 | 166.2° | 145.3° |
| C10 | C11 | C12 | H6 | 178.8° | 180.0° |
| C10 | C11 | N14 | H34 | 13.8° | 34.7° |
| C13 | C12 | C11 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | N14 | 179.3° | 180.0° |
| C12 | C11 | N14 | C15 | 11.7° | 34.7° |
| C11 | C12 | C13 | H5 | 178.9° | 180.0° |
| C12 | C11 | C10 | H8 | 178.8° | 180.0° |
| C12 | C11 | N14 | H34 | 168.2° | 145.4° |
| C11 | N14 | C15 | H34 | 180.0° | 180.0° |
| C11 | N14 | C15 | N16 | 1.8° | 5.5° |
| C11 | N14 | C15 | C20 | 178.5° | 174.2° |
| N14 | C11 | C12 | H6 | 0.7° | 0.1° |
| N14 | C11 | C10 | H8 | 0.7° | 0.0° |
| N14 | C15 | N16 | C20 | 179.7° | 179.7° |
| N14 | C15 | N16 | C17 | 179.7° | 179.7° |
| N14 | C15 | C20 | O21 | 0.2° | 0.3° |
| N14 | C15 | C20 | N19 | 179.5° | 179.7° |
| N16 | C15 | C20 | O21 | 179.5° | 180.0° |
| N16 | C15 | C20 | N19 | 0.2° | 0.0° |
| C15 | N16 | C17 | C22 | 179.4° | 122.2° |
| C15 | N16 | C17 | C18 | 0.7° | 0.0° |
| C15 | N16 | C17 | H2 | 90.0° | 122.2° |
| N16 | C15 | N14 | H34 | 178.2° | 174.5° |
| C20 | C15 | N16 | C17 | 0.0° | 0.0° |
| C15 | C20 | O21 | N19 | 179.3° | 180.0° |
| C15 | C20 | N19 | C18 | 1.1° | 0.0° |
| C20 | C15 | N14 | H34 | 1.6° | 5.8° |
| N16 | C17 | C22 | C27 | 39.8° | 28.9° |
| N16 | C17 | C22 | C18 | 178.6° | 128.6° |
| N16 | C17 | C22 | H2 | 90.6° | 115.7° |
| N16 | C17 | C18 | H2 | 90.6° | 122.2° |
| N16 | C17 | C22 | C23 | 138.7° | 151.4° |
| N16 | C17 | C18 | N19 | 1.5° | 0.0° |
| N16 | C17 | C18 | H1 | 178.5° | 180.0° |
| C26 | C27 | C22 | H7 | 180.0° | 179.5° |
| C27 | C26 | C25 | H4 | 180.0° | 179.8° |
| C26 | C27 | C22 | C17 | 179.9° | 179.8° |
| C26 | C27 | C22 | C23 | 1.4° | 0.5° |
| C27 | C26 | C25 | C24 | 0.3° | 0.3° |
| C27 | C26 | C25 | H3 | 179.7° | 179.8° |
| C22 | C27 | C26 | C25 | 1.0° | 0.5° |
| C27 | C22 | C17 | C23 | 178.5° | 179.7° |
| C27 | C22 | C17 | C18 | 138.8° | 99.7° |
| C27 | C22 | C23 | C24 | 1.3° | 0.3° |
| C27 | C22 | C23 | C43 | 179.3° | 179.8° |
| C27 | C22 | C17 | H2 | 130.5° | 144.6° |
| C22 | C27 | C26 | H4 | 179.0° | 179.7° |
| O21 | C20 | N19 | C18 | 179.5° | 180.0° |
| C26 | C25 | C24 | H3 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.1° |
| C26 | C25 | C24 | N28 | 179.8° | 180.0° |
| C25 | C26 | C27 | H7 | 179.0° | 180.0° |
| C20 | N19 | C18 | C17 | 1.8° | 0.0° |
| C20 | N19 | C18 | H1 | 178.2° | 179.9° |
| C22 | C17 | C18 | H2 | 90.7° | 115.6° |
| C22 | C17 | C18 | N19 | 179.8° | 122.2° |
| C17 | C22 | C23 | C24 | 179.9° | 180.0° |
| C17 | C22 | C23 | C43 | 0.7° | 0.1° |
| C22 | C17 | C18 | H1 | 0.1° | 57.7° |
| C17 | C22 | C27 | H7 | 0.0° | 0.3° |
| C18 | C17 | C22 | C23 | 42.7° | 80.0° |
| C17 | C18 | N19 | H1 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.7° | 0.1° |
| C22 | C23 | C24 | C43 | 179.4° | 179.9° |
| C22 | C23 | C24 | N28 | 179.3° | 180.0° |
| C23 | C22 | C17 | H2 | 48.1° | 35.7° |
| C23 | C22 | C27 | H7 | 178.7° | 180.0° |
| C22 | C23 | C43 | H31 | 89.7° | 90.1° |
| C22 | C23 | C43 | H32 | 150.2° | 150.0° |
| C22 | C23 | C43 | H33 | 30.3° | 30.0° |
| C25 | C24 | C23 | N28 | 180.0° | 180.0° |
| C25 | C24 | C23 | C43 | 179.8° | 180.0° |
| C25 | C24 | N28 | C29 | 101.7° | 34.3° |
| C24 | C25 | C26 | H4 | 179.7° | 179.9° |
| C25 | C24 | N28 | H35 | 78.4° | 145.6° |
| N19 | C18 | C17 | H2 | 89.1° | 122.2° |
| C23 | C24 | N28 | C29 | 78.3° | 145.8° |
| C23 | C24 | C25 | H3 | 179.8° | 180.0° |
| C24 | C23 | C43 | H31 | 89.7° | 90.0° |
| C24 | C23 | C43 | H32 | 30.3° | 29.9° |
| C24 | C23 | C43 | H33 | 150.2° | 149.9° |
| C23 | C24 | N28 | H35 | 101.6° | 34.3° |
| C43 | C23 | C24 | N28 | 0.2° | 0.0° |
| C23 | C43 | H31 | H32 | 120.0° | 119.9° |
| C23 | C43 | H31 | H33 | 120.0° | 120.0° |
| C23 | C43 | H32 | H33 | 120.0° | 120.0° |
| C24 | N28 | C29 | H35 | 180.0° | 179.9° |
| C24 | N28 | C29 | O42 | 0.9° | 5.5° |
| C24 | N28 | C29 | C30 | 175.8° | 174.5° |
| N28 | C24 | C25 | H3 | 0.2° | 0.1° |
| N28 | C29 | O42 | C30 | 176.6° | 180.0° |
| N28 | C29 | C30 | C35 | 20.5° | 180.0° |
| N28 | C29 | C30 | C31 | 162.0° | 0.0° |
| O42 | C29 | C30 | C35 | 156.1° | 0.0° |
| O42 | C29 | C30 | C31 | 21.4° | 180.0° |
| O42 | C29 | N28 | H35 | 179.1° | 174.5° |
| C29 | C30 | C35 | C31 | 177.7° | 180.0° |
| C29 | C30 | C35 | C34 | 178.9° | 179.5° |
| C29 | C30 | C31 | C32 | 178.8° | 180.0° |
| C29 | C30 | C31 | H9 | 1.2° | 0.3° |
| C29 | C30 | C35 | H20 | 1.1° | 0.1° |
| C30 | C29 | N28 | H35 | 4.2° | 5.5° |
| C30 | C35 | C34 | H20 | 180.0° | 179.4° |
| C35 | C30 | C31 | C32 | 1.2° | 0.0° |
| C30 | C35 | C34 | C33 | 0.3° | 0.8° |
| C35 | C30 | C31 | H9 | 178.9° | 179.7° |
| C30 | C35 | C34 | H11 | 179.7° | 179.7° |
| C31 | C30 | C35 | C34 | 1.2° | 0.6° |
| C30 | C31 | C32 | H9 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 0.2° | 0.3° |
| C30 | C31 | C32 | H10 | 179.8° | 179.7° |
| C31 | C30 | C35 | H20 | 178.8° | 180.0° |
| C35 | C34 | C33 | H11 | 180.0° | 179.5° |
| C35 | C34 | C33 | C32 | 0.7° | 0.5° |
| C35 | C34 | C33 | N36 | 179.9° | 179.5° |
| C31 | C32 | C33 | C34 | 0.8° | 0.1° |
| C31 | C32 | C33 | H10 | 180.0° | 179.9° |
| C31 | C32 | C33 | N36 | 179.9° | 179.9° |
| C34 | C33 | C32 | N36 | 179.1° | 180.0° |
| C34 | C33 | N36 | C41 | 29.7° | 0.0° |
| C34 | C33 | N36 | C37 | 159.9° | 124.2° |
| C34 | C33 | C32 | H10 | 179.2° | 180.0° |
| C33 | C34 | C35 | H20 | 179.7° | 179.8° |
| C32 | C33 | N36 | C41 | 149.3° | 180.0° |
| C32 | C33 | N36 | C37 | 19.1° | 55.8° |
| C33 | C32 | C31 | H9 | 179.8° | 180.0° |
| C32 | C33 | C34 | H11 | 179.3° | 180.0° |
| C33 | N36 | C41 | C37 | 135.6° | 124.1° |
| C33 | N36 | C41 | C40 | 73.9° | 174.2° |
| C33 | N36 | C37 | C38 | 74.9° | 174.2° |
| N36 | C33 | C32 | H10 | 0.1° | 0.0° |
| N36 | C33 | C34 | H11 | 0.2° | 0.0° |
| C33 | N36 | C37 | H21 | 45.9° | 54.1° |
| C33 | N36 | C37 | H22 | 164.4° | 65.8° |
| C33 | N36 | C41 | H29 | 165.4° | 65.9° |
| C33 | N36 | C41 | H30 | 46.8° | 54.2° |
| N36 | C41 | C40 | H29 | 120.7° | 120.0° |
| N36 | C41 | C40 | H30 | 120.7° | 120.0° |
| N36 | C41 | C40 | C39 | 50.6° | 59.2° |
| C41 | N36 | C37 | C38 | 61.6° | 61.7° |
| C41 | N36 | C37 | H21 | 177.6° | 178.2° |
| C41 | N36 | C37 | H22 | 59.2° | 58.3° |
| N36 | C41 | C40 | H27 | 171.3° | 179.1° |
| N36 | C41 | C40 | H28 | 70.2° | 60.8° |
| N36 | C41 | H29 | H30 | 117.8° | 120.0° |
| C37 | N36 | C41 | C40 | 61.6° | 61.7° |
| N36 | C37 | C38 | H21 | 120.7° | 120.1° |
| N36 | C37 | C38 | H22 | 120.8° | 120.0° |
| N36 | C37 | C38 | C39 | 50.4° | 59.2° |
| N36 | C37 | H21 | H22 | 117.7° | 119.9° |
| N36 | C37 | C38 | H23 | 70.4° | 179.1° |
| N36 | C37 | C38 | H24 | 171.1° | 60.8° |
| C37 | N36 | C41 | H29 | 59.1° | 58.3° |
| C37 | N36 | C41 | H30 | 177.7° | 178.3° |
| C41 | C40 | C39 | H27 | 120.8° | 119.9° |
| C41 | C40 | C39 | H28 | 120.7° | 120.0° |
| C41 | C40 | C39 | C38 | 34.3° | 57.7° |
| C41 | C40 | C39 | H25 | 86.2° | 62.2° |
| C41 | C40 | C39 | H26 | 154.8° | 177.6° |
| C41 | C40 | H27 | H28 | 117.7° | 120.1° |
| C40 | C41 | H29 | H30 | 117.9° | 120.0° |
| C40 | C39 | C38 | C37 | 34.3° | 57.7° |
| C40 | C39 | C38 | H25 | 120.5° | 119.9° |
| C40 | C39 | C38 | H26 | 120.5° | 119.9° |
| C40 | C39 | C38 | H23 | 86.5° | 177.6° |
| C40 | C39 | C38 | H24 | 155.0° | 62.3° |
| C40 | C39 | H25 | H26 | 118.4° | 120.2° |
| C39 | C40 | H27 | H28 | 117.7° | 120.1° |
| C39 | C40 | C41 | H29 | 70.1° | 60.8° |
| C39 | C40 | C41 | H30 | 171.2° | 179.2° |
| C37 | C38 | C39 | H23 | 120.8° | 120.0° |
| C37 | C38 | C39 | H24 | 120.8° | 120.0° |
| C38 | C37 | H21 | H22 | 117.7° | 120.0° |
| C37 | C38 | H23 | H24 | 117.5° | 120.1° |
| C37 | C38 | C39 | H25 | 86.3° | 62.2° |
| C37 | C38 | C39 | H26 | 154.8° | 177.6° |
| C39 | C38 | C37 | H21 | 171.1° | 179.2° |
| C39 | C38 | C37 | H22 | 70.4° | 60.8° |
| C39 | C38 | H23 | H24 | 117.5° | 120.1° |
| C38 | C39 | H25 | H26 | 118.4° | 120.1° |
| C38 | C39 | C40 | H27 | 155.0° | 177.6° |
| C38 | C39 | C40 | H28 | 86.4° | 62.3° |
| H1 | C18 | C17 | H2 | 90.8° | 57.8° |
| H3 | C25 | C26 | H4 | 0.3° | 0.0° |
| H4 | C26 | C27 | H7 | 1.0° | 0.2° |
| H5 | C13 | C12 | H6 | 1.1° | 0.0° |
| H9 | C31 | C32 | H10 | 0.2° | 0.1° |
| H11 | C34 | C35 | H20 | 0.3° | 0.3° |
| H12 | C01 | C02 | H14 | 56.6° | 172.6° |
| H12 | C01 | C02 | H15 | 175.5° | 52.5° |
| H13 | C01 | C02 | H14 | 63.4° | 52.1° |
| H13 | C01 | C02 | H15 | 55.6° | 68.0° |
| H16 | C04 | C05 | H18 | 55.6° | 68.1° |
| H16 | C04 | C05 | H19 | 175.0° | 52.5° |
| H17 | C04 | C05 | H18 | 63.8° | 52.0° |
| H17 | C04 | C05 | H19 | 55.5° | 172.6° |
| H21 | C37 | C38 | H23 | 50.3° | 60.8° |
| H21 | C37 | C38 | H24 | 68.1° | 59.2° |
| H22 | C37 | C38 | H23 | 168.8° | 59.1° |
| H22 | C37 | C38 | H24 | 50.4° | 179.2° |
| H23 | C38 | C39 | H25 | 152.9° | 57.7° |
| H23 | C38 | C39 | H26 | 34.0° | 62.5° |
| H24 | C38 | C39 | H25 | 34.5° | 177.8° |
| H24 | C38 | C39 | H26 | 84.4° | 57.6° |
| H25 | C39 | C40 | H27 | 34.5° | 57.7° |
| H25 | C39 | C40 | H28 | 153.0° | 177.8° |
| H26 | C39 | C40 | H27 | 84.4° | 62.5° |
| H26 | C39 | C40 | H28 | 34.1° | 57.6° |
| H27 | C40 | C41 | H29 | 50.6° | 59.1° |
| H27 | C40 | C41 | H30 | 68.0° | 60.9° |
| H28 | C40 | C41 | H29 | 169.1° | 179.2° |
| H28 | C40 | C41 | H30 | 50.5° | 59.2° |
| H31 | C43 | H32 | H33 | 120.0° | 120.1° |
