FKT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C45 | C42 | sing | 1.51Å | 1.56Å | |
| C42 | N43 | sing | 1.34Å | 1.36Å | Aromatic |
| C42 | C41 | doub | 1.35Å | 1.40Å | Aromatic |
| N43 | C44 | doub | 1.31Å | 1.34Å | Aromatic |
| C41 | N40 | sing | 1.37Å | 1.37Å | Aromatic |
| C44 | N40 | sing | 1.36Å | 1.33Å | Aromatic |
| N40 | C36 | sing | 1.40Å | 1.46Å | |
| C36 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| F48 | C46 | sing | 1.40Å | 1.34Å | |
| C35 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| F49 | C46 | sing | 1.40Å | 1.34Å | |
| C38 | C46 | sing | 1.51Å | 1.55Å | |
| C38 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C46 | F47 | sing | 1.40Å | 1.35Å | |
| C34 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | N32 | sing | 1.40Å | 1.44Å | |
| N32 | C22 | sing | 1.35Å | 1.46Å | |
| C22 | O33 | doub | 1.22Å | 1.24Å | |
| C22 | C17 | sing | 1.48Å | 1.55Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| O19 | C15 | sing | 1.36Å | 1.43Å | |
| O19 | C20 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C20 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.51Å | 1.60Å | |
| C18 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.44Å | 1.49Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| O30 | C29 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | trip | 1.18Å | 1.19Å | |
| C29 | N25 | sing | 1.37Å | 1.49Å | |
| C11 | C07 | sing | 1.43Å | 1.54Å | |
| N25 | C23 | sing | 1.48Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | N03 | sing | 1.37Å | 1.39Å | Aromatic |
| C24 | N10 | sing | 1.48Å | 1.50Å | |
| N02 | N03 | sing | 1.40Å | 1.34Å | |
| N02 | C01 | doub | 1.31Å | 1.32Å | |
| C08 | N09 | sing | 1.33Å | 1.38Å | Aromatic |
| N03 | C04 | sing | 1.37Å | 1.31Å | Aromatic |
| N10 | C31 | sing | 1.46Å | 1.43Å | |
| N10 | C01 | sing | 1.40Å | 1.42Å | |
| C01 | C06 | sing | 1.41Å | 1.45Å | |
| N09 | C04 | doub | 1.33Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.45Å | |
| C06 | C05 | doub | 1.36Å | 1.43Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| N25 | H19 | sing | 0.97Å | 1.00Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| N32 | H25 | sing | 0.97Å | 1.00Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C44 | H30 | sing | 1.08Å | 1.08Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C45 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C42 | N43 | 126.9° | 125.8° |
| C45 | C42 | C41 | 126.5° | 125.9° |
| C42 | C45 | H31 | 109.5° | 109.4° |
| C42 | C45 | H32 | 109.5° | 109.5° |
| C42 | C45 | H33 | 109.5° | 109.5° |
| N43 | C42 | C41 | 106.6° | 108.2° |
| C42 | N43 | C44 | 108.5° | 109.3° |
| C42 | C41 | N40 | 107.0° | 106.8° |
| C42 | C41 | H29 | 126.5° | 126.5° |
| N43 | C44 | N40 | 109.8° | 108.6° |
| N43 | C44 | H30 | 125.1° | 125.7° |
| C41 | N40 | C44 | 108.1° | 107.0° |
| C41 | N40 | C36 | 125.1° | 126.4° |
| N40 | C41 | H29 | 126.5° | 126.7° |
| C44 | N40 | C36 | 126.7° | 126.5° |
| N40 | C44 | H30 | 125.1° | 125.6° |
| N40 | C36 | C37 | 119.2° | 120.0° |
| N40 | C36 | C35 | 120.9° | 120.1° |
| C37 | C36 | C35 | 119.9° | 119.9° |
| C36 | C37 | C38 | 120.0° | 120.1° |
| C36 | C37 | H27 | 120.0° | 119.9° |
| C36 | C35 | C34 | 120.5° | 119.9° |
| C36 | C35 | H26 | 119.8° | 120.0° |
| C37 | C38 | C46 | 119.0° | 119.9° |
| C37 | C38 | C39 | 120.4° | 120.1° |
| C38 | C37 | H27 | 120.0° | 120.0° |
| F48 | C46 | F49 | 109.3° | 109.5° |
| F48 | C46 | C38 | 108.3° | 109.5° |
| F48 | C46 | F47 | 110.2° | 109.5° |
| C35 | C34 | C39 | 119.1° | 119.9° |
| C35 | C34 | N32 | 117.4° | 120.0° |
| C34 | C35 | H26 | 119.8° | 120.0° |
| F49 | C46 | C38 | 109.2° | 109.5° |
| F49 | C46 | F47 | 109.3° | 109.5° |
| C46 | C38 | C39 | 120.6° | 119.9° |
| C38 | C46 | F47 | 110.6° | 109.4° |
| C38 | C39 | C34 | 120.1° | 120.1° |
| C38 | C39 | H28 | 119.9° | 120.0° |
| C39 | C34 | N32 | 123.4° | 120.0° |
| C34 | C39 | H28 | 120.0° | 120.0° |
| C34 | N32 | C22 | 123.7° | 120.0° |
| C34 | N32 | H25 | 118.1° | 120.0° |
| N32 | C22 | O33 | 120.0° | 120.0° |
| N32 | C22 | C17 | 120.5° | 120.0° |
| C22 | N32 | H25 | 118.2° | 120.0° |
| O33 | C22 | C17 | 119.3° | 120.0° |
| C22 | C17 | C16 | 116.7° | 120.0° |
| C22 | C17 | C18 | 124.0° | 120.1° |
| C17 | C16 | C15 | 120.2° | 120.2° |
| C16 | C17 | C18 | 119.2° | 119.9° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C15 | O19 | 122.7° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.1° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C17 | C18 | C21 | 123.7° | 120.1° |
| C17 | C18 | C13 | 119.9° | 119.7° |
| C15 | O19 | C20 | 107.9° | 117.2° |
| O19 | C15 | C14 | 117.1° | 119.9° |
| O19 | C20 | C26 | 113.3° | 109.5° |
| O19 | C20 | H1 | 108.5° | 109.5° |
| O19 | C20 | H2 | 108.5° | 109.5° |
| C15 | C14 | C13 | 120.4° | 120.1° |
| C15 | C14 | H15 | 119.8° | 120.0° |
| C20 | C26 | C27 | 110.4° | 109.5° |
| C26 | C20 | H1 | 108.5° | 109.5° |
| C26 | C20 | H2 | 108.5° | 109.5° |
| C20 | C26 | H8 | 109.2° | 109.4° |
| C20 | C26 | H9 | 109.2° | 109.4° |
| C26 | C27 | C28 | 113.0° | 109.5° |
| C27 | C26 | H8 | 109.2° | 109.5° |
| C27 | C26 | H9 | 109.2° | 109.5° |
| C26 | C27 | H20 | 108.6° | 109.5° |
| C26 | C27 | H21 | 108.6° | 109.4° |
| C21 | C18 | C13 | 116.3° | 120.2° |
| C18 | C21 | H3 | 109.5° | 109.5° |
| C18 | C21 | H4 | 109.5° | 109.4° |
| C18 | C21 | H5 | 109.5° | 109.5° |
| C18 | C13 | C14 | 119.9° | 120.0° |
| C18 | C13 | C12 | 122.6° | 120.2° |
| C27 | C28 | C29 | 113.0° | 109.5° |
| C27 | C28 | H10 | 108.6° | 109.5° |
| C27 | C28 | H11 | 108.6° | 109.5° |
| C28 | C27 | H20 | 108.6° | 109.5° |
| C28 | C27 | H21 | 108.6° | 109.5° |
| C14 | C13 | C12 | 117.5° | 119.8° |
| C13 | C14 | H15 | 119.8° | 120.0° |
| C13 | C12 | C11 | 179.2° | 165.1° |
| C28 | C29 | O30 | 119.2° | 120.7° |
| C28 | C29 | N25 | 121.5° | 118.6° |
| C29 | C28 | H10 | 108.6° | 109.4° |
| C29 | C28 | H11 | 108.6° | 109.5° |
| O30 | C29 | N25 | 119.4° | 120.7° |
| C12 | C11 | C07 | 178.8° | 169.8° |
| C29 | N25 | C23 | 122.3° | 115.0° |
| C29 | N25 | H19 | 118.8° | 122.5° |
| C11 | C07 | C08 | 131.2° | 126.5° |
| C11 | C07 | N03 | 122.7° | 127.0° |
| N25 | C23 | C24 | 109.4° | 108.9° |
| N25 | C23 | H17 | 109.5° | 109.6° |
| N25 | C23 | H18 | 109.5° | 109.6° |
| C23 | N25 | H19 | 118.9° | 122.5° |
| C23 | C24 | N10 | 112.4° | 108.5° |
| C23 | C24 | H6 | 108.7° | 109.6° |
| C23 | C24 | H7 | 108.7° | 109.8° |
| C24 | C23 | H17 | 109.5° | 109.5° |
| C24 | C23 | H18 | 109.5° | 109.6° |
| C08 | C07 | N03 | 106.2° | 106.5° |
| C07 | C08 | N09 | 106.1° | 108.3° |
| C07 | C08 | H14 | 127.0° | 125.8° |
| C07 | N03 | N02 | 127.4° | 133.0° |
| C07 | N03 | C04 | 110.1° | 107.0° |
| C24 | N10 | C31 | 120.2° | 121.7° |
| C24 | N10 | C01 | 119.1° | 116.6° |
| N10 | C24 | H6 | 108.8° | 109.6° |
| N10 | C24 | H7 | 108.8° | 109.6° |
| N03 | N02 | C01 | 122.7° | 120.6° |
| N02 | N03 | C04 | 122.5° | 120.0° |
| N02 | C01 | N10 | 118.6° | 119.8° |
| N02 | C01 | C06 | 120.2° | 120.9° |
| C08 | N09 | C04 | 108.8° | 109.4° |
| N09 | C08 | H14 | 127.0° | 125.9° |
| N03 | C04 | N09 | 108.9° | 108.7° |
| N03 | C04 | C05 | 120.3° | 119.4° |
| C31 | N10 | C01 | 120.6° | 121.7° |
| N10 | C31 | H22 | 109.5° | 109.4° |
| N10 | C31 | H23 | 109.5° | 109.5° |
| N10 | C31 | H24 | 109.4° | 109.5° |
| N10 | C01 | C06 | 121.2° | 119.3° |
| C01 | C06 | C05 | 116.9° | 119.9° |
| C01 | C06 | H13 | 121.5° | 120.0° |
| N09 | C04 | C05 | 130.8° | 131.9° |
| C04 | C05 | C06 | 117.2° | 119.2° |
| C04 | C05 | H12 | 121.4° | 120.4° |
| C06 | C05 | H12 | 121.4° | 120.4° |
| C05 | C06 | H13 | 121.5° | 120.0° |
| H1 | C20 | H2 | 109.5° | 109.4° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H3 | C21 | H5 | 109.4° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.7° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.6° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H22 | C31 | H23 | 109.5° | 109.5° |
| H22 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H31 | C45 | H32 | 109.4° | 109.5° |
| H31 | C45 | H33 | 109.5° | 109.5° |
| H32 | C45 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C42 | N43 | C41 | 179.8° | 179.8° |
| C45 | C42 | N43 | C44 | 179.9° | 180.0° |
| C45 | C42 | C41 | N40 | 179.8° | 179.7° |
| C45 | C42 | C41 | H29 | 0.2° | 0.2° |
| C42 | C45 | H31 | H32 | 120.0° | 120.0° |
| C42 | C45 | H31 | H33 | 120.0° | 120.0° |
| C42 | C45 | H32 | H33 | 120.0° | 120.0° |
| N43 | C42 | C41 | N40 | 0.0° | 0.1° |
| C42 | N43 | C44 | N40 | 0.2° | 0.5° |
| N43 | C42 | C41 | H29 | 180.0° | 180.0° |
| C42 | N43 | C44 | H30 | 179.8° | 180.0° |
| N43 | C42 | C45 | H31 | 0.0° | 90.0° |
| N43 | C42 | C45 | H32 | 120.0° | 150.0° |
| N43 | C42 | C45 | H33 | 120.0° | 30.0° |
| C41 | C42 | N43 | C44 | 0.1° | 0.2° |
| C42 | C41 | N40 | H29 | 180.0° | 179.9° |
| C42 | C41 | N40 | C44 | 0.1° | 0.3° |
| C42 | C41 | N40 | C36 | 179.7° | 180.0° |
| C41 | C42 | C45 | H31 | 179.8° | 89.7° |
| C41 | C42 | C45 | H32 | 59.8° | 30.3° |
| C41 | C42 | C45 | H33 | 60.2° | 150.3° |
| N43 | C44 | N40 | C41 | 0.2° | 0.5° |
| N43 | C44 | N40 | H30 | 180.0° | 179.6° |
| N43 | C44 | N40 | C36 | 179.8° | 179.8° |
| C41 | N40 | C44 | C36 | 179.6° | 179.7° |
| C41 | N40 | C36 | C37 | 76.2° | 179.9° |
| C41 | N40 | C36 | C35 | 103.2° | 0.1° |
| C41 | N40 | C44 | H30 | 179.8° | 180.0° |
| C44 | N40 | C36 | C37 | 103.3° | 0.3° |
| C44 | N40 | C36 | C35 | 77.2° | 179.7° |
| C44 | N40 | C41 | H29 | 179.9° | 179.8° |
| N40 | C36 | C37 | C35 | 179.5° | 180.0° |
| N40 | C36 | C37 | C38 | 179.5° | 179.9° |
| N40 | C36 | C35 | C34 | 179.8° | 180.0° |
| N40 | C36 | C35 | H26 | 0.2° | 0.0° |
| N40 | C36 | C37 | H27 | 0.5° | 0.0° |
| C36 | N40 | C41 | H29 | 0.3° | 0.1° |
| C36 | N40 | C44 | H30 | 0.2° | 0.3° |
| C36 | C37 | C38 | H27 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.7° | 0.0° |
| C36 | C37 | C38 | C46 | 179.9° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C37 | C36 | C35 | H26 | 179.3° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.1° |
| C36 | C35 | C34 | H26 | 180.0° | 180.0° |
| C36 | C35 | C34 | C39 | 1.2° | 0.0° |
| C36 | C35 | C34 | N32 | 178.9° | 179.8° |
| C35 | C36 | C37 | H27 | 180.0° | 180.0° |
| C37 | C38 | C46 | F48 | 43.6° | 150.1° |
| C37 | C38 | C46 | F49 | 75.3° | 30.0° |
| C37 | C38 | C46 | C39 | 180.0° | 180.0° |
| C37 | C38 | C46 | F47 | 164.4° | 90.0° |
| C37 | C38 | C39 | C34 | 0.3° | 0.0° |
| C37 | C38 | C39 | H28 | 179.7° | 179.7° |
| F48 | C46 | F49 | C38 | 118.2° | 120.0° |
| F48 | C46 | F49 | F47 | 120.7° | 120.0° |
| F48 | C46 | C38 | F47 | 120.9° | 120.0° |
| F48 | C46 | C38 | C39 | 136.4° | 30.0° |
| C35 | C34 | C39 | C38 | 1.0° | 0.0° |
| C35 | C34 | C39 | N32 | 177.5° | 179.8° |
| C35 | C34 | N32 | C22 | 153.1° | 146.7° |
| C35 | C34 | N32 | H25 | 26.9° | 33.2° |
| C35 | C34 | C39 | H28 | 179.0° | 179.7° |
| F49 | C46 | C38 | F47 | 120.3° | 120.0° |
| F49 | C46 | C38 | C39 | 104.7° | 150.0° |
| C46 | C38 | C39 | C34 | 179.6° | 180.0° |
| C46 | C38 | C37 | H27 | 0.1° | 0.1° |
| C46 | C38 | C39 | H28 | 0.4° | 0.3° |
| C39 | C38 | C46 | F47 | 15.6° | 90.0° |
| C38 | C39 | C34 | H28 | 180.0° | 179.7° |
| C38 | C39 | C34 | N32 | 178.6° | 179.8° |
| C39 | C38 | C37 | H27 | 179.8° | 180.0° |
| C39 | C34 | N32 | C22 | 24.5° | 33.0° |
| C39 | C34 | N32 | H25 | 155.6° | 147.0° |
| C39 | C34 | C35 | H26 | 178.8° | 180.0° |
| C34 | N32 | C22 | H25 | 180.0° | 180.0° |
| C34 | N32 | C22 | O33 | 1.0° | 4.8° |
| C34 | N32 | C22 | C17 | 176.2° | 175.2° |
| N32 | C34 | C35 | H26 | 1.1° | 0.2° |
| N32 | C34 | C39 | H28 | 1.4° | 0.1° |
| N32 | C22 | O33 | C17 | 175.2° | 180.0° |
| N32 | C22 | C17 | C16 | 25.7° | 6.1° |
| N32 | C22 | C17 | C18 | 157.9° | 173.8° |
| O33 | C22 | C17 | C16 | 149.4° | 174.0° |
| O33 | C22 | C17 | C18 | 26.9° | 6.2° |
| O33 | C22 | N32 | H25 | 178.9° | 175.1° |
| C22 | C17 | C16 | C18 | 176.5° | 179.9° |
| C22 | C17 | C16 | C15 | 178.5° | 179.8° |
| C22 | C17 | C18 | C21 | 3.5° | 0.1° |
| C22 | C17 | C18 | C13 | 178.4° | 180.0° |
| C22 | C17 | C16 | H16 | 1.5° | 0.1° |
| C17 | C22 | N32 | H25 | 3.8° | 4.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | O19 | 179.9° | 179.9° |
| C17 | C16 | C15 | C14 | 1.4° | 0.1° |
| C16 | C17 | C18 | C21 | 179.8° | 180.0° |
| C16 | C17 | C18 | C13 | 2.1° | 0.1° |
| C15 | C16 | C17 | C18 | 2.0° | 0.1° |
| C16 | C15 | O19 | C14 | 178.7° | 180.0° |
| C16 | C15 | O19 | C20 | 134.9° | 150.9° |
| C16 | C15 | C14 | C13 | 1.0° | 0.2° |
| C16 | C15 | C14 | H15 | 179.0° | 179.9° |
| C17 | C18 | C21 | C13 | 178.2° | 179.9° |
| C17 | C18 | C13 | C14 | 1.7° | 0.4° |
| C17 | C18 | C13 | C12 | 179.5° | 180.0° |
| C17 | C18 | C21 | H3 | 91.1° | 83.5° |
| C17 | C18 | C21 | H4 | 148.9° | 156.6° |
| C17 | C18 | C21 | H5 | 28.9° | 36.5° |
| C18 | C17 | C16 | H16 | 178.0° | 180.0° |
| C15 | O19 | C20 | C26 | 168.6° | 128.9° |
| O19 | C15 | C14 | C13 | 179.8° | 179.9° |
| C15 | O19 | C20 | H1 | 48.1° | 111.1° |
| C15 | O19 | C20 | H2 | 70.8° | 8.8° |
| O19 | C15 | C14 | H15 | 0.2° | 0.1° |
| O19 | C15 | C16 | H16 | 0.1° | 0.0° |
| C20 | O19 | C15 | C14 | 43.8° | 29.1° |
| O19 | C20 | C26 | H1 | 120.6° | 120.0° |
| O19 | C20 | C26 | H2 | 120.6° | 120.0° |
| O19 | C20 | C26 | C27 | 165.4° | 173.4° |
| O19 | C20 | H1 | H2 | 118.3° | 119.9° |
| O19 | C20 | C26 | H8 | 45.3° | 53.3° |
| O19 | C20 | C26 | H9 | 74.4° | 66.6° |
| C15 | C14 | C13 | C18 | 1.2° | 0.4° |
| C15 | C14 | C13 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 178.6° | 180.0° |
| C20 | C26 | C27 | H8 | 120.1° | 120.0° |
| C20 | C26 | C27 | H9 | 120.1° | 119.9° |
| C20 | C26 | C27 | C28 | 17.9° | 135.4° |
| C26 | C20 | H1 | H2 | 118.2° | 120.0° |
| C20 | C26 | H8 | H9 | 119.6° | 119.9° |
| C20 | C26 | C27 | H20 | 102.6° | 15.4° |
| C20 | C26 | C27 | H21 | 138.4° | 104.6° |
| C26 | C27 | C28 | H20 | 120.5° | 120.1° |
| C26 | C27 | C28 | H21 | 120.5° | 120.0° |
| C26 | C27 | C28 | C29 | 156.7° | 103.9° |
| C27 | C26 | C20 | H1 | 74.0° | 53.4° |
| C27 | C26 | C20 | H2 | 44.8° | 66.6° |
| C27 | C26 | H8 | H9 | 119.6° | 120.0° |
| C26 | C27 | C28 | H10 | 36.2° | 136.1° |
| C26 | C27 | C28 | H11 | 82.8° | 16.1° |
| C26 | C27 | H20 | H21 | 118.4° | 120.0° |
| C21 | C18 | C13 | C14 | 180.0° | 179.7° |
| C21 | C18 | C13 | C12 | 1.3° | 0.1° |
| C18 | C21 | H3 | H4 | 120.0° | 119.9° |
| C18 | C21 | H3 | H5 | 120.0° | 120.0° |
| C18 | C21 | H4 | H5 | 120.0° | 120.0° |
| C18 | C13 | C14 | C12 | 178.8° | 179.6° |
| C18 | C13 | C12 | C11 | 145.5° | 173.3° |
| C13 | C18 | C21 | H3 | 90.8° | 96.4° |
| C13 | C18 | C21 | H4 | 29.2° | 23.6° |
| C13 | C18 | C21 | H5 | 149.2° | 143.6° |
| C18 | C13 | C14 | H15 | 178.8° | 179.6° |
| C27 | C28 | C29 | H10 | 120.5° | 120.0° |
| C27 | C28 | C29 | H11 | 120.5° | 120.1° |
| C27 | C28 | C29 | O30 | 25.6° | 28.8° |
| C27 | C28 | C29 | N25 | 154.7° | 151.3° |
| C28 | C27 | C26 | H8 | 138.0° | 104.6° |
| C28 | C27 | C26 | H9 | 102.2° | 15.5° |
| C27 | C28 | H10 | H11 | 118.4° | 120.0° |
| C28 | C27 | H20 | H21 | 118.4° | 120.0° |
| C14 | C13 | C12 | C11 | 33.3° | 6.3° |
| C13 | C12 | C11 | C07 | 24.8° | 157.4° |
| C12 | C13 | C14 | H15 | 0.0° | 0.0° |
| C28 | C29 | O30 | N25 | 179.6° | 179.9° |
| C28 | C29 | N25 | C23 | 0.5° | 179.6° |
| C29 | C28 | H10 | H11 | 118.4° | 120.0° |
| C28 | C29 | N25 | H19 | 179.5° | 0.5° |
| C29 | C28 | C27 | H20 | 82.8° | 16.1° |
| C29 | C28 | C27 | H21 | 36.2° | 136.1° |
| O30 | C29 | N25 | C23 | 179.9° | 0.5° |
| O30 | C29 | C28 | H10 | 146.2° | 148.8° |
| O30 | C29 | C28 | H11 | 94.8° | 91.3° |
| O30 | C29 | N25 | H19 | 0.1° | 179.4° |
| C12 | C11 | C07 | C08 | 171.4° | 27.6° |
| C12 | C11 | C07 | N03 | 8.3° | 152.2° |
| C29 | N25 | C23 | H19 | 180.0° | 180.0° |
| C29 | N25 | C23 | C24 | 136.9° | 39.1° |
| N25 | C29 | C28 | H10 | 34.2° | 31.3° |
| N25 | C29 | C28 | H11 | 84.8° | 88.6° |
| C29 | N25 | C23 | H17 | 16.9° | 158.9° |
| C29 | N25 | C23 | H18 | 103.1° | 80.8° |
| C11 | C07 | C08 | N03 | 179.7° | 179.9° |
| C11 | C07 | N03 | N02 | 0.2° | 0.1° |
| C11 | C07 | C08 | N09 | 179.9° | 179.9° |
| C11 | C07 | N03 | C04 | 180.0° | 179.8° |
| C11 | C07 | C08 | H14 | 0.1° | 0.2° |
| N25 | C23 | C24 | H17 | 120.0° | 119.8° |
| N25 | C23 | C24 | H18 | 120.0° | 119.9° |
| N25 | C23 | C24 | N10 | 139.0° | 163.9° |
| N25 | C23 | C24 | H6 | 18.6° | 76.4° |
| N25 | C23 | C24 | H7 | 100.5° | 44.1° |
| N25 | C23 | H17 | H18 | 120.1° | 120.3° |
| C23 | C24 | N10 | H6 | 120.4° | 119.7° |
| C23 | C24 | N10 | H7 | 120.4° | 119.9° |
| C23 | C24 | N10 | C31 | 64.5° | 10.4° |
| C23 | C24 | N10 | C01 | 115.3° | 169.6° |
| C23 | C24 | H6 | H7 | 118.7° | 120.6° |
| C24 | C23 | H17 | H18 | 120.0° | 120.2° |
| C24 | C23 | N25 | H19 | 43.1° | 140.9° |
| C08 | C07 | N03 | N02 | 179.9° | 180.0° |
| C07 | C08 | N09 | H14 | 180.0° | 180.0° |
| C08 | C07 | N03 | C04 | 0.2° | 0.1° |
| C07 | C08 | N09 | C04 | 0.1° | 0.1° |
| C07 | N03 | N02 | C04 | 179.8° | 179.9° |
| C07 | N03 | N02 | C01 | 180.0° | 179.6° |
| N03 | C07 | C08 | N09 | 0.2° | 0.0° |
| C07 | N03 | C04 | N09 | 0.2° | 0.1° |
| C07 | N03 | C04 | C05 | 179.9° | 179.7° |
| N03 | C07 | C08 | H14 | 179.9° | 179.9° |
| C24 | N10 | C01 | N02 | 59.7° | 1.6° |
| C24 | N10 | C31 | C01 | 179.8° | 180.0° |
| C24 | N10 | C01 | C06 | 119.8° | 178.8° |
| N10 | C24 | H6 | H7 | 118.7° | 120.4° |
| N10 | C24 | C23 | H17 | 101.0° | 44.1° |
| N10 | C24 | C23 | H18 | 19.0° | 76.1° |
| C24 | N10 | C31 | H22 | 180.0° | 90.0° |
| C24 | N10 | C31 | H23 | 60.0° | 150.0° |
| C24 | N10 | C31 | H24 | 60.0° | 30.0° |
| N03 | N02 | C01 | N10 | 179.7° | 179.5° |
| N03 | N02 | C01 | C06 | 0.3° | 0.2° |
| N02 | N03 | C04 | N09 | 180.0° | 179.9° |
| N02 | N03 | C04 | C05 | 0.0° | 0.2° |
| C01 | N02 | N03 | C04 | 0.2° | 0.3° |
| N02 | C01 | N10 | C31 | 120.2° | 178.5° |
| N02 | C01 | N10 | C06 | 179.4° | 179.7° |
| N02 | C01 | C06 | C05 | 0.3° | 0.1° |
| N02 | C01 | C06 | H13 | 179.7° | 180.0° |
| C08 | N09 | C04 | N03 | 0.1° | 0.1° |
| C08 | N09 | C04 | C05 | 180.0° | 179.7° |
| N03 | C04 | N09 | C05 | 179.9° | 179.9° |
| N03 | C04 | C05 | C06 | 0.0° | 0.0° |
| N03 | C04 | C05 | H12 | 180.0° | 180.0° |
| C31 | N10 | C01 | C06 | 60.4° | 1.2° |
| C31 | N10 | C24 | H6 | 55.9° | 130.1° |
| C31 | N10 | C24 | H7 | 175.0° | 109.5° |
| N10 | C31 | H22 | H23 | 120.0° | 120.0° |
| N10 | C31 | H22 | H24 | 120.0° | 120.0° |
| N10 | C31 | H23 | H24 | 120.0° | 120.0° |
| N10 | C01 | C06 | C05 | 179.7° | 179.8° |
| C01 | N10 | C24 | H6 | 124.3° | 49.9° |
| C01 | N10 | C24 | H7 | 5.1° | 70.5° |
| N10 | C01 | C06 | H13 | 0.3° | 0.3° |
| C01 | N10 | C31 | H22 | 0.2° | 90.0° |
| C01 | N10 | C31 | H23 | 119.8° | 30.0° |
| C01 | N10 | C31 | H24 | 120.1° | 150.0° |
| C01 | C06 | C05 | C04 | 0.1° | 0.2° |
| C01 | C06 | C05 | H13 | 180.0° | 179.9° |
| C01 | C06 | C05 | H12 | 179.9° | 179.8° |
| N09 | C04 | C05 | C06 | 179.9° | 179.8° |
| N09 | C04 | C05 | H12 | 0.1° | 0.2° |
| C04 | N09 | C08 | H14 | 180.0° | 180.0° |
| C04 | C05 | C06 | H12 | 180.0° | 180.0° |
| C04 | C05 | C06 | H13 | 179.9° | 179.9° |
| H1 | C20 | C26 | H8 | 165.9° | 66.7° |
| H1 | C20 | C26 | H9 | 46.1° | 173.3° |
| H2 | C20 | C26 | H8 | 75.3° | 173.4° |
| H2 | C20 | C26 | H9 | 165.0° | 53.4° |
| H3 | C21 | H4 | H5 | 120.0° | 120.0° |
| H6 | C24 | C23 | H17 | 138.5° | 163.8° |
| H6 | C24 | C23 | H18 | 101.4° | 43.6° |
| H7 | C24 | C23 | H17 | 19.4° | 75.7° |
| H7 | C24 | C23 | H18 | 139.5° | 164.1° |
| H8 | C26 | C27 | H20 | 17.5° | 135.4° |
| H8 | C26 | C27 | H21 | 101.5° | 15.4° |
| H9 | C26 | C27 | H20 | 137.3° | 104.6° |
| H9 | C26 | C27 | H21 | 18.3° | 135.5° |
| H10 | C28 | C27 | H20 | 156.7° | 103.9° |
| H10 | C28 | C27 | H21 | 84.3° | 16.1° |
| H11 | C28 | C27 | H20 | 37.7° | 136.2° |
| H11 | C28 | C27 | H21 | 156.7° | 103.8° |
| H12 | C05 | C06 | H13 | 0.1° | 0.1° |
| H17 | C23 | N25 | H19 | 163.0° | 21.1° |
| H18 | C23 | N25 | H19 | 76.9° | 99.2° |
| H22 | C31 | H23 | H24 | 120.0° | 120.0° |
| H31 | C45 | H32 | H33 | 120.0° | 120.1° |
