KFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C27 | sing | 1.43Å | 1.40Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.51Å | 1.52Å | |
| N38 | C28 | sing | 1.47Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C25 | N24 | sing | 1.35Å | 1.45Å | |
| C25 | O26 | doub | 1.21Å | 1.18Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C29 | O30 | sing | 1.43Å | 1.40Å | |
| N24 | C05 | sing | 1.46Å | 1.45Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| O30 | C31 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| O07 | C06 | doub | 1.21Å | 1.18Å | |
| C06 | N08 | sing | 1.35Å | 1.46Å | |
| C34 | O37 | sing | 1.36Å | 1.40Å | |
| C34 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.46Å | 1.45Å | |
| C23 | O22 | sing | 1.45Å | 1.40Å | |
| C09 | C20 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| O22 | C20 | sing | 1.34Å | 1.40Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | O21 | doub | 1.21Å | 1.19Å | |
| C14 | N13 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.41Å | 1.37Å | Aromatic |
| N13 | C12 | sing | 1.37Å | 1.32Å | Aromatic |
| C17 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C11 | sing | 1.47Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.34Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| N08 | H31 | sing | 0.97Å | 1.00Å | |
| N24 | H32 | sing | 0.97Å | 1.00Å | |
| N38 | H33 | sing | 1.01Å | 1.00Å | |
| N38 | H34 | sing | 1.01Å | 1.00Å | |
| O37 | H36 | sing | 0.97Å | 0.95Å | |
| O39 | H37 | sing | 0.97Å | 0.95Å | |
| N13 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C27 | C28 | 109.5° | 109.5° |
| O39 | C27 | C25 | 108.6° | 109.5° |
| O39 | C27 | H24 | 111.1° | 109.5° |
| C27 | O39 | H37 | 109.5° | 114.0° |
| C28 | C27 | C25 | 109.1° | 109.5° |
| C27 | C28 | N38 | 109.3° | 109.4° |
| C27 | C28 | C29 | 110.7° | 109.4° |
| C27 | C28 | H4 | 108.7° | 109.5° |
| C28 | C27 | H24 | 109.2° | 109.5° |
| C27 | C25 | N24 | 119.7° | 120.0° |
| C27 | C25 | O26 | 120.4° | 120.0° |
| C25 | C27 | H24 | 109.3° | 109.4° |
| N38 | C28 | C29 | 109.5° | 109.4° |
| N38 | C28 | H4 | 109.8° | 109.5° |
| C28 | N38 | H33 | 109.5° | 111.0° |
| C28 | N38 | H34 | 109.5° | 111.1° |
| C28 | C29 | O30 | 107.1° | 109.4° |
| C29 | C28 | H4 | 108.8° | 109.5° |
| C28 | C29 | H25 | 110.1° | 109.4° |
| C28 | C29 | H26 | 110.1° | 109.5° |
| N24 | C25 | O26 | 119.9° | 120.0° |
| C25 | N24 | C05 | 119.8° | 120.0° |
| C25 | N24 | H32 | 120.1° | 120.0° |
| C01 | C02 | C04 | 112.2° | 109.5° |
| C01 | C02 | C03 | 111.6° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 107.4° | 109.4° |
| C02 | C04 | C05 | 110.8° | 109.5° |
| C04 | C02 | C03 | 110.6° | 109.5° |
| C04 | C02 | H8 | 107.4° | 109.5° |
| C02 | C04 | H12 | 109.1° | 109.5° |
| C02 | C04 | H13 | 109.2° | 109.5° |
| C04 | C05 | N24 | 109.7° | 109.5° |
| C04 | C05 | C06 | 108.7° | 109.5° |
| C05 | C04 | H12 | 109.1° | 109.5° |
| C05 | C04 | H13 | 109.1° | 109.5° |
| C04 | C05 | H14 | 109.7° | 109.5° |
| C29 | O30 | C31 | 115.3° | 117.0° |
| O30 | C29 | H25 | 110.0° | 109.5° |
| O30 | C29 | H26 | 110.1° | 109.5° |
| N24 | C05 | C06 | 108.0° | 109.5° |
| N24 | C05 | H14 | 110.8° | 109.4° |
| C05 | N24 | H32 | 120.1° | 120.0° |
| C35 | C36 | C31 | 120.0° | 120.0° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C36 | C35 | H29 | 120.0° | 120.0° |
| C35 | C36 | H30 | 120.0° | 119.9° |
| C36 | C31 | O30 | 120.3° | 120.0° |
| C36 | C31 | C32 | 120.1° | 120.0° |
| C31 | C36 | H30 | 120.0° | 120.0° |
| O30 | C31 | C32 | 119.6° | 120.0° |
| C03 | C02 | H8 | 107.4° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.4° |
| C05 | C06 | O07 | 119.1° | 120.0° |
| C05 | C06 | N08 | 119.9° | 120.0° |
| C06 | C05 | H14 | 109.8° | 109.5° |
| C35 | C34 | O37 | 119.8° | 120.0° |
| C35 | C34 | C33 | 119.9° | 120.0° |
| C34 | C35 | H29 | 120.0° | 120.0° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C31 | C32 | H27 | 120.1° | 119.9° |
| O07 | C06 | N08 | 121.1° | 120.0° |
| C06 | N08 | C09 | 121.1° | 120.0° |
| C06 | N08 | H31 | 119.5° | 120.0° |
| O37 | C34 | C33 | 120.3° | 120.0° |
| C34 | O37 | H36 | 109.5° | 114.0° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C34 | C33 | H28 | 119.9° | 120.0° |
| C33 | C32 | H27 | 120.1° | 120.0° |
| C32 | C33 | H28 | 119.9° | 120.0° |
| N08 | C09 | C20 | 110.3° | 109.5° |
| N08 | C09 | C10 | 108.7° | 109.4° |
| N08 | C09 | H15 | 110.8° | 109.4° |
| C09 | N08 | H31 | 119.5° | 120.0° |
| C23 | O22 | C20 | 114.6° | 117.0° |
| O22 | C23 | H21 | 109.5° | 109.4° |
| O22 | C23 | H22 | 109.4° | 109.4° |
| O22 | C23 | H23 | 109.5° | 109.4° |
| C20 | C09 | C10 | 107.4° | 109.5° |
| C09 | C20 | O22 | 119.8° | 120.0° |
| C09 | C20 | O21 | 119.1° | 120.0° |
| C20 | C09 | H15 | 109.8° | 109.5° |
| C09 | C10 | C11 | 109.6° | 109.5° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.4° |
| C10 | C09 | H15 | 109.8° | 109.5° |
| O22 | C20 | O21 | 121.1° | 120.0° |
| C18 | C19 | C14 | 119.4° | 119.8° |
| C19 | C18 | C17 | 120.9° | 120.6° |
| C19 | C18 | H19 | 119.6° | 119.7° |
| C18 | C19 | H20 | 120.3° | 120.1° |
| C19 | C14 | N13 | 131.8° | 133.5° |
| C19 | C14 | C15 | 119.8° | 119.3° |
| C14 | C19 | H20 | 120.3° | 120.1° |
| C18 | C17 | C16 | 119.8° | 120.5° |
| C18 | C17 | H3 | 120.1° | 119.8° |
| C17 | C18 | H19 | 119.5° | 119.6° |
| N13 | C14 | C15 | 108.4° | 107.2° |
| C14 | N13 | C12 | 110.3° | 109.8° |
| C14 | N13 | H16 | 124.9° | 125.1° |
| C14 | C15 | C16 | 120.7° | 119.9° |
| C14 | C15 | C11 | 106.2° | 106.0° |
| N13 | C12 | C11 | 108.2° | 109.9° |
| N13 | C12 | H17 | 125.9° | 125.1° |
| C12 | N13 | H16 | 124.8° | 125.0° |
| C17 | C16 | C15 | 119.4° | 119.8° |
| C16 | C17 | H3 | 120.1° | 119.7° |
| C17 | C16 | H18 | 120.3° | 120.1° |
| C16 | C15 | C11 | 133.1° | 134.0° |
| C15 | C16 | H18 | 120.3° | 120.1° |
| C15 | C11 | C12 | 106.9° | 107.0° |
| C15 | C11 | C10 | 125.8° | 126.5° |
| C12 | C11 | C10 | 127.3° | 126.5° |
| C11 | C12 | H17 | 125.9° | 125.0° |
| C11 | C10 | H1 | 109.4° | 109.5° |
| C11 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.4° |
| H12 | C04 | H13 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H33 | N38 | H34 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C27 | C28 | C25 | 118.7° | 120.0° |
| O39 | C27 | C28 | H24 | 121.9° | 120.0° |
| O39 | C27 | C25 | H24 | 121.4° | 120.0° |
| O39 | C27 | C28 | N38 | 28.6° | 65.0° |
| O39 | C27 | C28 | C29 | 149.3° | 55.0° |
| O39 | C27 | C25 | N24 | 143.5° | 175.0° |
| O39 | C27 | C25 | O26 | 36.9° | 5.0° |
| O39 | C27 | C28 | H4 | 91.2° | 175.0° |
| C28 | C27 | C25 | H24 | 119.3° | 119.9° |
| C27 | C28 | N38 | C29 | 121.5° | 119.9° |
| C27 | C28 | N38 | H4 | 119.2° | 120.0° |
| C27 | C28 | C29 | H4 | 119.4° | 120.0° |
| C28 | C27 | C25 | N24 | 97.2° | 65.0° |
| C28 | C27 | C25 | O26 | 82.4° | 115.0° |
| C27 | C28 | C29 | O30 | 171.8° | 175.1° |
| C27 | C28 | C29 | H25 | 68.6° | 55.1° |
| C27 | C28 | C29 | H26 | 52.2° | 64.9° |
| C27 | C28 | N38 | H33 | 180.0° | 176.1° |
| C27 | C28 | N38 | H34 | 60.0° | 60.0° |
| C28 | C27 | O39 | H37 | 103.9° | 60.0° |
| C25 | C27 | C28 | N38 | 147.3° | 55.1° |
| C25 | C27 | C28 | C29 | 92.0° | 175.0° |
| C27 | C25 | N24 | O26 | 179.6° | 180.0° |
| C27 | C25 | N24 | C05 | 179.8° | 180.0° |
| C25 | C27 | C28 | H4 | 27.5° | 65.0° |
| C27 | C25 | N24 | H32 | 0.2° | 0.1° |
| C25 | C27 | O39 | H37 | 15.1° | 60.0° |
| N38 | C28 | C29 | H4 | 120.0° | 120.0° |
| N38 | C28 | C29 | O30 | 51.2° | 65.0° |
| N38 | C28 | C27 | H24 | 93.3° | 175.0° |
| N38 | C28 | C29 | H25 | 170.8° | 175.0° |
| N38 | C28 | C29 | H26 | 68.4° | 55.0° |
| C28 | N38 | H33 | H34 | 120.0° | 124.0° |
| C28 | C29 | O30 | H25 | 119.6° | 119.9° |
| C28 | C29 | O30 | H26 | 119.6° | 120.0° |
| C28 | C29 | O30 | C31 | 178.6° | 180.0° |
| C29 | C28 | C27 | H24 | 27.4° | 65.1° |
| C28 | C29 | H25 | H26 | 121.1° | 120.0° |
| C29 | C28 | N38 | H33 | 58.5° | 64.0° |
| C29 | C28 | N38 | H34 | 61.5° | 60.0° |
| C25 | N24 | C05 | C04 | 90.3° | 85.0° |
| C25 | N24 | C05 | H32 | 180.0° | 179.9° |
| C25 | N24 | C05 | C06 | 151.4° | 155.0° |
| C25 | N24 | C05 | H14 | 31.1° | 35.0° |
| N24 | C25 | C27 | H24 | 22.2° | 55.0° |
| O26 | C25 | N24 | C05 | 0.2° | 0.0° |
| O26 | C25 | C27 | H24 | 158.3° | 125.0° |
| O26 | C25 | N24 | H32 | 179.8° | 179.9° |
| C01 | C02 | C04 | C03 | 125.3° | 120.0° |
| C01 | C02 | C04 | H8 | 117.8° | 120.0° |
| C01 | C02 | C04 | C05 | 178.0° | 175.0° |
| C01 | C02 | C03 | H8 | 117.4° | 119.9° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 180.0° | 180.0° |
| C01 | C02 | C03 | H10 | 60.0° | 59.9° |
| C01 | C02 | C03 | H11 | 60.0° | 60.0° |
| C01 | C02 | C04 | H12 | 57.8° | 65.0° |
| C01 | C02 | C04 | H13 | 61.8° | 55.0° |
| C02 | C04 | C05 | H12 | 120.2° | 120.0° |
| C02 | C04 | C05 | H13 | 120.2° | 120.0° |
| C02 | C04 | C05 | N24 | 151.8° | 65.0° |
| C04 | C02 | C03 | H8 | 116.9° | 120.0° |
| C02 | C04 | C05 | C06 | 90.3° | 175.0° |
| C04 | C02 | C01 | H5 | 180.0° | 180.0° |
| C04 | C02 | C01 | H6 | 60.0° | 60.0° |
| C04 | C02 | C01 | H7 | 60.0° | 60.0° |
| C04 | C02 | C03 | H9 | 54.4° | 60.0° |
| C04 | C02 | C03 | H10 | 65.6° | 180.0° |
| C04 | C02 | C03 | H11 | 174.4° | 60.0° |
| C02 | C04 | H12 | H13 | 119.4° | 120.0° |
| C02 | C04 | C05 | H14 | 29.8° | 55.0° |
| C04 | C05 | N24 | C06 | 118.3° | 120.0° |
| C04 | C05 | N24 | H14 | 121.3° | 120.0° |
| C05 | C04 | C02 | C03 | 56.7° | 65.0° |
| C04 | C05 | C06 | H14 | 120.1° | 120.0° |
| C04 | C05 | C06 | O07 | 104.8° | 120.0° |
| C04 | C05 | C06 | N08 | 75.0° | 60.0° |
| C05 | C04 | C02 | H8 | 60.2° | 55.0° |
| C05 | C04 | H12 | H13 | 119.4° | 120.0° |
| C04 | C05 | N24 | H32 | 89.7° | 95.1° |
| C29 | O30 | C31 | C36 | 10.6° | 0.3° |
| C29 | O30 | C31 | C32 | 169.3° | 180.0° |
| O30 | C29 | C28 | H4 | 68.8° | 55.0° |
| O30 | C29 | H25 | H26 | 121.1° | 120.1° |
| N24 | C05 | C06 | H14 | 121.0° | 120.0° |
| N24 | C05 | C06 | O07 | 14.1° | 0.0° |
| N24 | C05 | C06 | N08 | 166.0° | 180.0° |
| N24 | C05 | C04 | H12 | 88.0° | 175.0° |
| N24 | C05 | C04 | H13 | 31.6° | 55.0° |
| C35 | C36 | C31 | H30 | 180.0° | 180.0° |
| C35 | C36 | C31 | O30 | 179.7° | 179.7° |
| C36 | C35 | C34 | H29 | 180.0° | 180.0° |
| C35 | C36 | C31 | C32 | 0.1° | 0.1° |
| C36 | C35 | C34 | O37 | 179.8° | 180.0° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C36 | C31 | O30 | C32 | 179.8° | 179.7° |
| C31 | C36 | C35 | C34 | 0.2° | 0.0° |
| C36 | C31 | C32 | C33 | 0.0° | 0.1° |
| C36 | C31 | C32 | H27 | 180.0° | 180.0° |
| C31 | C36 | C35 | H29 | 179.8° | 180.0° |
| O30 | C31 | C32 | C33 | 179.8° | 179.7° |
| C31 | O30 | C29 | H25 | 59.0° | 60.0° |
| C31 | O30 | C29 | H26 | 61.8° | 60.0° |
| O30 | C31 | C32 | H27 | 0.2° | 0.3° |
| O30 | C31 | C36 | H30 | 0.3° | 0.3° |
| C03 | C02 | C01 | H5 | 55.3° | 60.0° |
| C03 | C02 | C01 | H6 | 64.7° | 180.0° |
| C03 | C02 | C01 | H7 | 175.3° | 60.1° |
| C02 | C03 | H9 | H10 | 120.0° | 120.1° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 119.9° |
| C03 | C02 | C04 | H12 | 176.9° | 55.0° |
| C03 | C02 | C04 | H13 | 63.5° | 175.0° |
| C05 | C06 | O07 | N08 | 179.8° | 180.0° |
| C05 | C06 | N08 | C09 | 179.9° | 180.0° |
| C06 | C05 | C04 | H12 | 29.9° | 55.0° |
| C06 | C05 | C04 | H13 | 149.5° | 65.0° |
| C05 | C06 | N08 | H31 | 0.1° | 0.0° |
| C06 | C05 | N24 | H32 | 28.6° | 24.9° |
| C35 | C34 | O37 | C33 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.1° | 0.0° |
| C35 | C34 | C33 | H28 | 179.9° | 180.0° |
| C34 | C35 | C36 | H30 | 179.7° | 180.0° |
| C35 | C34 | O37 | H36 | 180.0° | 90.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H27 | 180.0° | 179.9° |
| C31 | C32 | C33 | H28 | 180.0° | 180.0° |
| C32 | C31 | C36 | H30 | 179.8° | 180.0° |
| O07 | C06 | N08 | C09 | 0.0° | 0.1° |
| O07 | C06 | C05 | H14 | 135.1° | 119.9° |
| O07 | C06 | N08 | H31 | 179.9° | 180.0° |
| C06 | N08 | C09 | H31 | 180.0° | 179.9° |
| C06 | N08 | C09 | C20 | 142.0° | 85.0° |
| C06 | N08 | C09 | C10 | 100.5° | 155.0° |
| N08 | C06 | C05 | H14 | 45.1° | 60.0° |
| C06 | N08 | C09 | H15 | 20.3° | 35.1° |
| O37 | C34 | C33 | C32 | 179.9° | 180.0° |
| O37 | C34 | C33 | H28 | 0.1° | 0.0° |
| O37 | C34 | C35 | H29 | 0.2° | 0.1° |
| C34 | C33 | C32 | H28 | 180.0° | 180.0° |
| C34 | C33 | C32 | H27 | 180.0° | 180.0° |
| C33 | C34 | C35 | H29 | 179.8° | 180.0° |
| C33 | C34 | O37 | H36 | 0.0° | 90.0° |
| N08 | C09 | C20 | C10 | 118.3° | 120.0° |
| N08 | C09 | C20 | H15 | 122.3° | 120.0° |
| N08 | C09 | C10 | H15 | 121.4° | 119.9° |
| N08 | C09 | C20 | O22 | 123.0° | 180.0° |
| N08 | C09 | C20 | O21 | 57.4° | 0.0° |
| N08 | C09 | C10 | C11 | 87.6° | 65.0° |
| N08 | C09 | C10 | H1 | 32.5° | 55.0° |
| N08 | C09 | C10 | H2 | 152.4° | 175.0° |
| C23 | O22 | C20 | C09 | 150.5° | 180.0° |
| C23 | O22 | C20 | O21 | 29.9° | 0.0° |
| O22 | C23 | H21 | H22 | 120.0° | 119.9° |
| O22 | C23 | H21 | H23 | 120.0° | 120.0° |
| O22 | C23 | H22 | H23 | 120.0° | 119.9° |
| C20 | C09 | C10 | H15 | 119.3° | 120.1° |
| C09 | C20 | O22 | O21 | 179.6° | 180.0° |
| C20 | C09 | C10 | C11 | 153.1° | 175.0° |
| C20 | C09 | C10 | H1 | 86.9° | 65.0° |
| C20 | C09 | C10 | H2 | 33.1° | 55.0° |
| C20 | C09 | N08 | H31 | 38.0° | 95.0° |
| C10 | C09 | C20 | O22 | 118.7° | 60.0° |
| C10 | C09 | C20 | O21 | 61.0° | 120.0° |
| C09 | C10 | C11 | C15 | 102.8° | 85.0° |
| C09 | C10 | C11 | C12 | 76.6° | 94.9° |
| C09 | C10 | C11 | H1 | 120.0° | 120.1° |
| C09 | C10 | C11 | H2 | 120.0° | 119.9° |
| C09 | C10 | H1 | H2 | 120.0° | 119.9° |
| C10 | C09 | N08 | H31 | 79.5° | 25.0° |
| O22 | C20 | C09 | H15 | 0.7° | 60.0° |
| C20 | O22 | C23 | H21 | 180.0° | 180.0° |
| C20 | O22 | C23 | H22 | 60.0° | 60.0° |
| C20 | O22 | C23 | H23 | 60.0° | 60.0° |
| C18 | C19 | C14 | H20 | 180.0° | 179.2° |
| C19 | C18 | C17 | H19 | 180.0° | 179.1° |
| C18 | C19 | C14 | N13 | 179.8° | 180.0° |
| C18 | C19 | C14 | C15 | 0.1° | 0.5° |
| C19 | C18 | C17 | C16 | 0.4° | 0.9° |
| C19 | C18 | C17 | H3 | 179.5° | 179.7° |
| C14 | C19 | C18 | C17 | 0.3° | 0.8° |
| C19 | C14 | N13 | C15 | 179.9° | 179.5° |
| C19 | C14 | N13 | C12 | 179.9° | 180.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C19 | C14 | C15 | C11 | 179.7° | 179.9° |
| C14 | C19 | C18 | H19 | 179.7° | 179.9° |
| C19 | C14 | N13 | H16 | 0.1° | 0.5° |
| C18 | C17 | C16 | H3 | 180.0° | 179.4° |
| C18 | C17 | C16 | C15 | 0.3° | 0.7° |
| C18 | C17 | C16 | H18 | 179.7° | 179.4° |
| C17 | C18 | C19 | H20 | 179.6° | 180.0° |
| O21 | C20 | C09 | H15 | 179.7° | 120.0° |
| C14 | N13 | C12 | H16 | 180.0° | 179.6° |
| N13 | C14 | C15 | C16 | 180.0° | 179.9° |
| N13 | C14 | C15 | C11 | 0.4° | 0.5° |
| C14 | N13 | C12 | C11 | 0.1° | 0.2° |
| C14 | N13 | C12 | H17 | 179.8° | 179.7° |
| N13 | C14 | C19 | H20 | 0.2° | 0.8° |
| C15 | C14 | N13 | C12 | 0.2° | 0.4° |
| C14 | C15 | C16 | C17 | 0.0° | 0.4° |
| C14 | C15 | C16 | C11 | 179.4° | 179.5° |
| C14 | C15 | C11 | C12 | 0.5° | 0.4° |
| C14 | C15 | C11 | C10 | 180.0° | 179.7° |
| C14 | C15 | C16 | H18 | 180.0° | 179.7° |
| C15 | C14 | C19 | H20 | 179.9° | 179.7° |
| C15 | C14 | N13 | H16 | 179.8° | 180.0° |
| N13 | C12 | C11 | C15 | 0.4° | 0.1° |
| N13 | C12 | C11 | H17 | 180.0° | 179.9° |
| N13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C17 | C16 | C15 | H18 | 180.0° | 179.9° |
| C17 | C16 | C15 | C11 | 179.4° | 179.9° |
| C16 | C17 | C18 | H19 | 179.6° | 180.0° |
| C16 | C15 | C11 | C12 | 180.0° | 179.9° |
| C16 | C15 | C11 | C10 | 0.5° | 0.2° |
| C15 | C16 | C17 | H3 | 179.7° | 180.0° |
| C15 | C11 | C12 | C10 | 179.5° | 179.9° |
| C15 | C11 | C10 | H1 | 17.2° | 35.1° |
| C15 | C11 | C10 | H2 | 137.2° | 155.1° |
| C15 | C11 | C12 | H17 | 179.6° | 180.0° |
| C11 | C15 | C16 | H18 | 0.6° | 0.2° |
| C12 | C11 | C10 | H1 | 163.3° | 145.0° |
| C12 | C11 | C10 | H2 | 43.4° | 25.0° |
| C11 | C12 | N13 | H16 | 179.9° | 179.8° |
| C11 | C10 | H1 | H2 | 119.9° | 120.0° |
| C11 | C10 | C09 | H15 | 33.8° | 54.9° |
| C10 | C11 | C12 | H17 | 0.1° | 0.1° |
| H1 | C10 | C09 | H15 | 153.8° | 175.0° |
| H2 | C10 | C09 | H15 | 86.2° | 65.1° |
| H3 | C17 | C16 | H18 | 0.3° | 0.1° |
| H3 | C17 | C18 | H19 | 0.5° | 0.6° |
| H4 | C28 | C27 | H24 | 146.9° | 55.0° |
| H4 | C28 | C29 | H25 | 50.8° | 65.0° |
| H4 | C28 | C29 | H26 | 171.6° | 175.0° |
| H4 | C28 | N38 | H33 | 60.8° | 56.0° |
| H4 | C28 | N38 | H34 | 179.2° | 180.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 62.2° | 60.0° |
| H6 | C01 | C02 | H8 | 177.8° | 60.0° |
| H7 | C01 | C02 | H8 | 57.8° | 180.0° |
| H8 | C02 | C03 | H9 | 62.6° | 60.0° |
| H8 | C02 | C03 | H10 | 177.4° | 60.0° |
| H8 | C02 | C03 | H11 | 57.5° | 180.0° |
| H8 | C02 | C04 | H12 | 60.0° | 175.0° |
| H8 | C02 | C04 | H13 | 179.6° | 65.0° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
| H12 | C04 | C05 | H14 | 150.0° | 65.0° |
| H13 | C04 | C05 | H14 | 90.4° | 175.0° |
| H14 | C05 | N24 | H32 | 148.9° | 144.9° |
| H15 | C09 | N08 | H31 | 159.7° | 145.0° |
| H17 | C12 | N13 | H16 | 0.1° | 0.1° |
| H19 | C18 | C19 | H20 | 0.4° | 0.9° |
| H21 | C23 | H22 | H23 | 120.0° | 120.1° |
| H24 | C27 | O39 | H37 | 135.3° | 180.0° |
| H27 | C32 | C33 | H28 | 0.0° | 0.0° |
| H29 | C35 | C36 | H30 | 0.3° | 0.0° |
