UK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| N15 | C16 | sing | 1.36Å | 1.34Å | Aromatic |
| N15 | C14 | doub | 1.30Å | 1.32Å | Aromatic |
| C16 | C24 | doub | 1.41Å | 1.38Å | Aromatic |
| O21 | C20 | doub | 1.22Å | 1.26Å | |
| C19 | C20 | sing | 1.47Å | 1.53Å | |
| C19 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | O22 | sing | 1.35Å | 1.26Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C14 | N25 | sing | 1.36Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| N12 | C31 | sing | 1.47Å | 1.49Å | |
| N25 | C26 | sing | 1.47Å | 1.46Å | |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| C29 | O30 | sing | 1.43Å | 1.43Å | |
| C29 | C28 | sing | 1.53Å | 1.45Å | |
| C09 | C32 | sing | 1.53Å | 1.49Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| O30 | C27 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.42Å | |
| C08 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | N07 | sing | 1.32Å | 1.32Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| N07 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | O05 | sing | 1.36Å | 1.41Å | |
| F01 | C02 | sing | 1.35Å | 1.36Å | |
| O05 | C04 | sing | 1.43Å | 1.40Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C38 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.43Å | 1.53Å | |
| C39 | N40 | trip | 1.14Å | 1.13Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| O22 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C17 | C18 | C19 | 120.1° | 120.5° |
| C18 | C17 | H14 | 120.0° | 120.0° |
| C17 | C18 | H15 | 119.9° | 119.7° |
| C17 | C16 | N15 | 133.0° | 133.4° |
| C17 | C16 | C24 | 120.1° | 119.7° |
| C16 | C17 | H14 | 120.0° | 119.9° |
| C18 | C19 | C20 | 119.7° | 119.9° |
| C18 | C19 | C23 | 119.9° | 120.1° |
| C19 | C18 | H15 | 119.9° | 119.7° |
| C16 | N15 | C14 | 108.6° | 109.7° |
| N15 | C16 | C24 | 106.9° | 106.9° |
| N15 | C14 | C13 | 124.8° | 124.9° |
| N15 | C14 | N25 | 109.2° | 110.1° |
| C16 | C24 | C23 | 119.8° | 120.0° |
| C16 | C24 | N25 | 106.9° | 106.0° |
| O21 | C20 | C19 | 119.8° | 120.0° |
| O21 | C20 | O22 | 120.0° | 120.0° |
| C20 | C19 | C23 | 120.3° | 119.9° |
| C19 | C20 | O22 | 120.1° | 120.0° |
| C19 | C23 | C24 | 120.1° | 119.5° |
| C19 | C23 | H19 | 120.0° | 120.2° |
| C20 | O22 | H31 | 109.5° | 117.0° |
| C13 | C14 | N25 | 126.0° | 124.9° |
| C14 | C13 | N12 | 115.3° | 109.5° |
| C14 | C13 | H8 | 108.0° | 109.5° |
| C14 | C13 | H9 | 108.0° | 109.5° |
| C14 | N25 | C24 | 108.4° | 107.3° |
| C14 | N25 | C26 | 126.2° | 126.3° |
| C23 | C24 | N25 | 133.3° | 134.0° |
| C24 | C23 | H19 | 120.0° | 120.3° |
| C24 | N25 | C26 | 125.5° | 126.4° |
| C13 | N12 | C11 | 113.4° | 111.0° |
| C13 | N12 | C31 | 108.3° | 111.0° |
| N12 | C13 | H8 | 108.0° | 109.5° |
| N12 | C13 | H9 | 108.0° | 109.5° |
| N12 | C11 | C10 | 111.1° | 109.5° |
| C11 | N12 | C31 | 109.3° | 111.2° |
| N12 | C11 | H10 | 109.1° | 109.4° |
| N12 | C11 | H11 | 109.1° | 109.5° |
| C11 | C10 | C09 | 115.6° | 109.3° |
| C10 | C11 | H10 | 109.0° | 109.5° |
| C10 | C11 | H11 | 109.1° | 109.5° |
| C11 | C10 | H12 | 107.9° | 109.5° |
| C11 | C10 | H13 | 107.9° | 109.5° |
| N12 | C31 | C32 | 111.9° | 109.5° |
| N12 | C31 | H20 | 108.9° | 109.5° |
| N12 | C31 | H21 | 108.8° | 109.4° |
| N25 | C26 | C27 | 111.9° | 109.4° |
| N25 | C26 | H6 | 108.9° | 109.5° |
| N25 | C26 | H7 | 108.8° | 109.5° |
| C10 | C09 | C32 | 116.5° | 109.1° |
| C10 | C09 | C08 | 120.2° | 109.5° |
| C09 | C10 | H12 | 107.9° | 109.5° |
| C09 | C10 | H13 | 107.9° | 109.5° |
| C10 | C09 | H18 | 108.9° | 109.5° |
| O30 | C29 | C28 | 89.9° | 88.5° |
| C29 | O30 | C27 | 89.6° | 88.3° |
| O30 | C29 | H1 | 114.1° | 113.4° |
| O30 | C29 | H2 | 114.1° | 113.5° |
| C29 | C28 | C27 | 89.8° | 81.2° |
| C28 | C29 | H1 | 114.1° | 113.4° |
| C28 | C29 | H2 | 114.1° | 113.4° |
| C29 | C28 | H3 | 114.1° | 114.6° |
| C29 | C28 | H4 | 114.2° | 114.6° |
| C32 | C09 | C08 | 92.4° | 109.5° |
| C09 | C32 | C31 | 115.2° | 109.3° |
| C32 | C09 | H18 | 109.0° | 109.5° |
| C09 | C32 | H22 | 108.0° | 109.5° |
| C09 | C32 | H23 | 108.0° | 109.5° |
| C09 | C08 | C33 | 120.1° | 119.6° |
| C09 | C08 | N07 | 119.4° | 119.6° |
| C08 | C09 | H18 | 108.6° | 109.6° |
| O30 | C27 | C26 | 114.1° | 113.4° |
| O30 | C27 | C28 | 89.8° | 88.4° |
| O30 | C27 | H5 | 112.6° | 113.5° |
| C32 | C31 | H20 | 108.9° | 109.5° |
| C32 | C31 | H21 | 108.9° | 109.5° |
| C31 | C32 | H22 | 108.0° | 109.5° |
| C31 | C32 | H23 | 108.0° | 109.5° |
| C26 | C27 | C28 | 113.6° | 113.4° |
| C26 | C27 | H5 | 112.0° | 112.7° |
| C27 | C26 | H6 | 108.9° | 109.5° |
| C27 | C26 | H7 | 108.9° | 109.5° |
| C27 | C28 | H3 | 114.1° | 114.5° |
| C27 | C28 | H4 | 114.1° | 114.5° |
| C28 | C27 | H5 | 113.0° | 113.4° |
| C33 | C08 | N07 | 120.5° | 120.8° |
| C08 | C33 | C34 | 118.3° | 119.3° |
| C08 | C33 | H24 | 120.8° | 120.3° |
| C08 | N07 | C06 | 122.8° | 121.6° |
| C33 | C34 | C35 | 119.5° | 118.5° |
| C34 | C33 | H24 | 120.8° | 120.3° |
| C33 | C34 | H25 | 120.2° | 120.8° |
| N07 | C06 | C35 | 120.1° | 120.6° |
| N07 | C06 | O05 | 120.1° | 119.7° |
| C34 | C35 | C06 | 118.7° | 119.1° |
| C35 | C34 | H25 | 120.2° | 120.8° |
| C34 | C35 | H26 | 120.6° | 120.4° |
| C35 | C06 | O05 | 119.8° | 119.7° |
| C06 | C35 | H26 | 120.6° | 120.4° |
| C06 | O05 | C04 | 115.2° | 117.0° |
| F01 | C02 | C03 | 120.0° | 119.9° |
| F01 | C02 | C41 | 119.8° | 120.0° |
| O05 | C04 | C03 | 111.1° | 109.5° |
| O05 | C04 | H16 | 109.1° | 109.4° |
| O05 | C04 | H17 | 109.1° | 109.5° |
| C04 | C03 | C02 | 119.1° | 119.9° |
| C04 | C03 | C36 | 121.2° | 119.9° |
| C03 | C04 | H16 | 109.1° | 109.5° |
| C03 | C04 | H17 | 109.1° | 109.5° |
| C03 | C02 | C41 | 120.2° | 120.1° |
| C02 | C03 | C36 | 119.7° | 120.3° |
| C02 | C41 | C38 | 120.0° | 119.8° |
| C02 | C41 | H29 | 120.0° | 120.1° |
| C03 | C36 | C37 | 120.1° | 120.2° |
| C03 | C36 | H27 | 119.9° | 119.9° |
| C41 | C38 | C37 | 120.1° | 119.7° |
| C41 | C38 | C39 | 119.8° | 120.1° |
| C38 | C41 | H29 | 120.0° | 120.1° |
| C36 | C37 | C38 | 120.0° | 119.9° |
| C37 | C36 | H27 | 120.0° | 119.8° |
| C36 | C37 | H28 | 120.0° | 120.1° |
| C37 | C38 | C39 | 120.2° | 120.1° |
| C38 | C37 | H28 | 120.0° | 120.0° |
| C38 | C39 | N40 | 179.9° | 180.0° |
| H1 | C29 | H2 | 109.5° | 112.6° |
| H3 | C28 | H4 | 109.5° | 113.6° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.4° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.4° |
| H22 | C32 | H23 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | N15 | 180.0° | 180.0° |
| C18 | C17 | C16 | C24 | 0.0° | 0.0° |
| C17 | C18 | C19 | C20 | 179.7° | 179.9° |
| C17 | C18 | C19 | C23 | 0.0° | 0.1° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | N15 | C24 | 179.9° | 180.0° |
| C17 | C16 | N15 | C14 | 179.8° | 179.8° |
| C17 | C16 | C24 | C23 | 0.1° | 0.0° |
| C17 | C16 | C24 | N25 | 179.7° | 180.0° |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 13.9° | 180.0° |
| C18 | C19 | C20 | C23 | 179.7° | 180.0° |
| C18 | C19 | C20 | O22 | 166.0° | 0.0° |
| C18 | C19 | C23 | C24 | 0.1° | 0.1° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | C23 | H19 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 179.4° | 180.0° |
| C16 | N15 | C14 | N25 | 0.6° | 0.2° |
| N15 | C16 | C24 | C23 | 180.0° | 180.0° |
| N15 | C16 | C24 | N25 | 0.2° | 0.0° |
| N15 | C16 | C17 | H14 | 0.1° | 0.1° |
| C14 | N15 | C16 | C24 | 0.3° | 0.1° |
| N15 | C14 | C13 | N25 | 178.5° | 179.8° |
| N15 | C14 | N25 | C24 | 0.8° | 0.2° |
| N15 | C14 | C13 | N12 | 95.3° | 89.7° |
| N15 | C14 | N25 | C26 | 179.9° | 179.7° |
| N15 | C14 | C13 | H8 | 25.6° | 30.3° |
| N15 | C14 | C13 | H9 | 143.9° | 150.2° |
| C16 | C24 | C23 | C19 | 0.1° | 0.1° |
| C16 | C24 | N25 | C14 | 0.6° | 0.1° |
| C16 | C24 | C23 | N25 | 179.8° | 180.0° |
| C16 | C24 | N25 | C26 | 179.7° | 179.8° |
| C24 | C16 | C17 | H14 | 180.0° | 180.0° |
| C16 | C24 | C23 | H19 | 179.9° | 179.9° |
| O21 | C20 | C19 | O22 | 179.8° | 180.0° |
| O21 | C20 | C19 | C23 | 166.4° | 0.0° |
| O21 | C20 | O22 | H31 | 0.0° | 0.1° |
| C20 | C19 | C23 | C24 | 179.8° | 179.9° |
| C20 | C19 | C18 | H15 | 0.3° | 0.0° |
| C20 | C19 | C23 | H19 | 0.2° | 0.1° |
| C19 | C20 | O22 | H31 | 179.8° | 180.0° |
| C23 | C19 | C20 | O22 | 13.8° | 180.0° |
| C19 | C23 | C24 | H19 | 180.0° | 179.9° |
| C19 | C23 | C24 | N25 | 179.7° | 179.9° |
| C23 | C19 | C18 | H15 | 180.0° | 180.0° |
| C13 | C14 | N25 | C24 | 179.5° | 180.0° |
| C14 | C13 | N12 | H8 | 120.8° | 120.0° |
| C14 | C13 | N12 | H9 | 120.9° | 120.0° |
| C14 | C13 | N12 | C11 | 4.7° | 170.0° |
| C14 | C13 | N12 | C31 | 116.8° | 65.8° |
| C13 | C14 | N25 | C26 | 1.4° | 0.1° |
| C14 | C13 | H8 | H9 | 117.3° | 120.0° |
| C14 | N25 | C24 | C23 | 179.6° | 179.9° |
| C14 | N25 | C24 | C26 | 179.1° | 180.0° |
| N25 | C14 | C13 | N12 | 86.2° | 90.0° |
| C14 | N25 | C26 | C27 | 85.5° | 90.0° |
| C14 | N25 | C26 | H6 | 154.1° | 30.0° |
| C14 | N25 | C26 | H7 | 34.8° | 150.0° |
| N25 | C14 | C13 | H8 | 152.9° | 149.9° |
| N25 | C14 | C13 | H9 | 34.6° | 30.0° |
| C23 | C24 | N25 | C26 | 0.5° | 0.2° |
| C24 | N25 | C26 | C27 | 95.5° | 90.0° |
| C24 | N25 | C26 | H6 | 24.9° | 150.0° |
| C24 | N25 | C26 | H7 | 144.1° | 29.9° |
| N25 | C24 | C23 | H19 | 0.3° | 0.1° |
| C13 | N12 | C11 | C31 | 120.9° | 124.1° |
| C13 | N12 | C11 | C10 | 177.1° | 62.4° |
| C13 | N12 | C31 | C32 | 175.2° | 62.4° |
| N12 | C13 | H8 | H9 | 117.3° | 120.0° |
| C13 | N12 | C11 | H10 | 62.7° | 177.6° |
| C13 | N12 | C11 | H11 | 56.9° | 57.7° |
| C13 | N12 | C31 | H20 | 54.8° | 57.7° |
| C13 | N12 | C31 | H21 | 64.5° | 177.6° |
| N12 | C11 | C10 | H10 | 120.2° | 120.0° |
| N12 | C11 | C10 | H11 | 120.2° | 120.0° |
| N12 | C11 | C10 | C09 | 16.1° | 59.2° |
| C11 | N12 | C31 | C32 | 60.9° | 61.7° |
| C11 | N12 | C13 | H8 | 116.2° | 70.0° |
| C11 | N12 | C13 | H9 | 125.5° | 50.0° |
| N12 | C11 | H10 | H11 | 119.3° | 120.0° |
| N12 | C11 | C10 | H12 | 137.0° | 60.8° |
| N12 | C11 | C10 | H13 | 104.8° | 179.1° |
| C11 | N12 | C31 | H20 | 178.7° | 178.2° |
| C11 | N12 | C31 | H21 | 59.5° | 58.3° |
| C10 | C11 | N12 | C31 | 62.0° | 61.7° |
| C11 | C10 | C09 | H12 | 120.9° | 120.0° |
| C11 | C10 | C09 | H13 | 120.9° | 120.0° |
| C11 | C10 | C09 | C32 | 30.6° | 57.6° |
| C11 | C10 | C09 | C08 | 140.7° | 177.5° |
| C10 | C11 | H10 | H11 | 119.3° | 120.0° |
| C11 | C10 | H12 | H13 | 117.2° | 120.1° |
| C11 | C10 | C09 | H18 | 93.1° | 62.2° |
| N12 | C31 | C32 | C09 | 13.3° | 59.1° |
| N12 | C31 | C32 | H20 | 120.4° | 120.1° |
| N12 | C31 | C32 | H21 | 120.3° | 120.0° |
| C31 | N12 | C13 | H8 | 122.4° | 54.2° |
| C31 | N12 | C13 | H9 | 4.1° | 174.2° |
| C31 | N12 | C11 | H10 | 58.2° | 58.3° |
| C31 | N12 | C11 | H11 | 177.7° | 178.3° |
| N12 | C31 | H20 | H21 | 118.9° | 119.9° |
| N12 | C31 | C32 | H22 | 134.1° | 60.8° |
| N12 | C31 | C32 | H23 | 107.5° | 179.1° |
| N25 | C26 | C27 | O30 | 34.9° | 86.1° |
| N25 | C26 | C27 | H6 | 120.4° | 120.0° |
| N25 | C26 | C27 | H7 | 120.3° | 120.0° |
| N25 | C26 | C27 | C28 | 66.2° | 175.0° |
| N25 | C26 | C27 | H5 | 164.2° | 44.5° |
| N25 | C26 | H6 | H7 | 118.8° | 120.0° |
| C10 | C09 | C32 | C08 | 125.7° | 119.9° |
| C10 | C09 | C32 | H18 | 123.7° | 119.9° |
| C10 | C09 | C08 | H18 | 126.3° | 120.2° |
| C10 | C09 | C32 | C31 | 32.0° | 57.6° |
| C10 | C09 | C08 | C33 | 4.8° | 85.0° |
| C10 | C09 | C08 | N07 | 175.0° | 95.3° |
| C09 | C10 | C11 | H10 | 104.1° | 60.8° |
| C09 | C10 | C11 | H11 | 136.4° | 179.2° |
| C09 | C10 | H12 | H13 | 117.3° | 120.0° |
| C10 | C09 | C32 | H22 | 88.9° | 62.3° |
| C10 | C09 | C32 | H23 | 152.8° | 177.6° |
| O30 | C29 | C28 | H1 | 116.5° | 114.9° |
| O30 | C29 | C28 | H2 | 116.5° | 115.0° |
| C29 | O30 | C27 | C26 | 123.0° | 143.0° |
| O30 | C29 | C28 | C27 | 7.0° | 26.5° |
| O30 | C29 | H1 | H2 | 129.3° | 130.6° |
| O30 | C29 | C28 | H3 | 123.6° | 139.6° |
| O30 | C29 | C28 | H4 | 109.5° | 86.5° |
| C29 | O30 | C27 | H5 | 107.9° | 86.7° |
| C29 | C28 | C27 | C26 | 123.3° | 141.4° |
| C29 | C28 | C27 | H3 | 116.5° | 113.1° |
| C29 | C28 | C27 | H4 | 116.6° | 113.1° |
| C28 | C29 | H1 | H2 | 129.3° | 130.5° |
| C29 | C28 | H3 | H4 | 129.3° | 134.4° |
| C29 | C28 | C27 | H5 | 107.6° | 88.4° |
| C32 | C09 | C08 | H18 | 111.0° | 120.2° |
| C09 | C32 | C31 | H22 | 120.8° | 119.9° |
| C09 | C32 | C31 | H23 | 120.8° | 119.9° |
| C32 | C09 | C08 | C33 | 117.9° | 34.6° |
| C32 | C09 | C08 | N07 | 62.2° | 145.1° |
| C32 | C09 | C10 | H12 | 90.3° | 62.3° |
| C32 | C09 | C10 | H13 | 151.5° | 177.6° |
| C09 | C32 | C31 | H20 | 133.7° | 179.2° |
| C09 | C32 | C31 | H21 | 107.0° | 60.8° |
| C09 | C32 | H22 | H23 | 117.4° | 120.1° |
| C08 | C09 | C32 | C31 | 157.6° | 177.5° |
| C09 | C08 | C33 | N07 | 179.9° | 179.7° |
| C09 | C08 | C33 | C34 | 180.0° | 180.0° |
| C09 | C08 | N07 | C06 | 179.8° | 179.7° |
| C08 | C09 | C10 | H12 | 19.8° | 57.6° |
| C08 | C09 | C10 | H13 | 98.4° | 62.5° |
| C08 | C09 | C32 | H22 | 36.8° | 57.6° |
| C08 | C09 | C32 | H23 | 81.5° | 62.5° |
| C09 | C08 | C33 | H24 | 0.0° | 0.3° |
| O30 | C27 | C26 | C28 | 101.1° | 98.9° |
| O30 | C27 | C26 | H5 | 129.4° | 130.6° |
| O30 | C27 | C28 | H5 | 114.5° | 114.9° |
| C27 | O30 | C29 | H1 | 109.6° | 143.1° |
| C27 | O30 | C29 | H2 | 123.4° | 86.7° |
| O30 | C27 | C28 | H3 | 123.4° | 139.6° |
| O30 | C27 | C28 | H4 | 109.6° | 86.6° |
| O30 | C27 | C26 | H6 | 155.2° | 153.9° |
| O30 | C27 | C26 | H7 | 85.5° | 33.9° |
| C31 | C32 | C09 | H18 | 91.7° | 62.2° |
| C32 | C31 | H20 | H21 | 118.9° | 120.0° |
| C31 | C32 | H22 | H23 | 117.4° | 120.1° |
| C26 | C27 | C28 | H5 | 129.1° | 130.1° |
| C26 | C27 | C28 | H3 | 120.2° | 105.4° |
| C26 | C27 | C28 | H4 | 6.7° | 28.3° |
| C27 | C26 | H6 | H7 | 118.9° | 120.0° |
| C27 | C28 | C29 | H1 | 109.5° | 141.4° |
| C27 | C28 | C29 | H2 | 123.6° | 88.5° |
| C27 | C28 | H3 | H4 | 129.3° | 134.2° |
| C28 | C27 | C26 | H6 | 54.2° | 55.0° |
| C28 | C27 | C26 | H7 | 173.5° | 65.0° |
| C08 | C33 | C34 | H24 | 180.0° | 179.7° |
| C33 | C08 | N07 | C06 | 0.3° | 0.0° |
| C08 | C33 | C34 | C35 | 0.0° | 0.5° |
| C33 | C08 | C09 | H18 | 131.1° | 154.8° |
| C08 | C33 | C34 | H25 | 180.0° | 179.9° |
| N07 | C08 | C33 | C34 | 0.1° | 0.3° |
| C08 | N07 | C06 | C35 | 0.4° | 0.0° |
| C08 | N07 | C06 | O05 | 179.8° | 179.7° |
| N07 | C08 | C09 | H18 | 48.8° | 24.9° |
| N07 | C08 | C33 | H24 | 179.9° | 180.0° |
| C33 | C34 | C35 | H25 | 180.0° | 179.6° |
| C33 | C34 | C35 | C06 | 0.1° | 0.5° |
| C33 | C34 | C35 | H26 | 179.9° | 179.5° |
| N07 | C06 | C35 | C34 | 0.2° | 0.3° |
| N07 | C06 | C35 | O05 | 179.8° | 179.7° |
| N07 | C06 | O05 | C04 | 30.1° | 0.3° |
| N07 | C06 | C35 | H26 | 179.8° | 179.8° |
| C34 | C35 | C06 | H26 | 180.0° | 180.0° |
| C34 | C35 | C06 | O05 | 180.0° | 180.0° |
| C35 | C34 | C33 | H24 | 180.0° | 179.8° |
| C35 | C06 | O05 | C04 | 150.1° | 180.0° |
| C06 | C35 | C34 | H25 | 179.9° | 180.0° |
| C06 | O05 | C04 | C03 | 64.7° | 180.0° |
| C06 | O05 | C04 | H16 | 175.0° | 60.0° |
| C06 | O05 | C04 | H17 | 55.5° | 60.0° |
| O05 | C06 | C35 | H26 | 0.0° | 0.1° |
| F01 | C02 | C03 | C04 | 0.1° | 0.3° |
| F01 | C02 | C03 | C41 | 179.9° | 179.7° |
| F01 | C02 | C03 | C36 | 179.8° | 179.7° |
| F01 | C02 | C41 | C38 | 179.9° | 179.7° |
| F01 | C02 | C41 | H29 | 0.1° | 0.3° |
| O05 | C04 | C03 | H16 | 120.2° | 120.0° |
| O05 | C04 | C03 | H17 | 120.3° | 120.0° |
| O05 | C04 | C03 | C02 | 149.4° | 180.0° |
| O05 | C04 | C03 | C36 | 31.0° | 0.1° |
| O05 | C04 | H16 | H17 | 119.3° | 119.9° |
| C04 | C03 | C02 | C36 | 179.6° | 180.0° |
| C04 | C03 | C02 | C41 | 179.9° | 180.0° |
| C04 | C03 | C36 | C37 | 179.9° | 180.0° |
| C03 | C04 | H16 | H17 | 119.3° | 120.1° |
| C04 | C03 | C36 | H27 | 0.1° | 0.1° |
| C03 | C02 | C41 | C38 | 0.1° | 0.0° |
| C02 | C03 | C36 | C37 | 0.4° | 0.0° |
| C02 | C03 | C04 | H16 | 90.4° | 60.0° |
| C02 | C03 | C04 | H17 | 29.1° | 60.0° |
| C02 | C03 | C36 | H27 | 179.6° | 180.0° |
| C03 | C02 | C41 | H29 | 179.9° | 180.0° |
| C41 | C02 | C03 | C36 | 0.3° | 0.0° |
| C02 | C41 | C38 | H29 | 180.0° | 180.0° |
| C02 | C41 | C38 | C37 | 0.1° | 0.0° |
| C02 | C41 | C38 | C39 | 180.0° | 180.0° |
| C03 | C36 | C37 | H27 | 180.0° | 179.9° |
| C03 | C36 | C37 | C38 | 0.4° | 0.1° |
| C36 | C03 | C04 | H16 | 89.3° | 120.0° |
| C36 | C03 | C04 | H17 | 151.2° | 120.0° |
| C03 | C36 | C37 | H28 | 179.6° | 180.0° |
| C41 | C38 | C37 | C36 | 0.2° | 0.1° |
| C41 | C38 | C37 | C39 | 179.9° | 180.0° |
| C41 | C38 | C39 | N40 | 172.6° | 143.8° |
| C41 | C38 | C37 | H28 | 179.8° | 180.0° |
| C36 | C37 | C38 | H28 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 179.8° | 179.9° |
| C37 | C38 | C39 | N40 | 7.4° | 36.2° |
| C38 | C37 | C36 | H27 | 179.6° | 180.0° |
| C37 | C38 | C41 | H29 | 179.9° | 180.0° |
| C39 | C38 | C37 | H28 | 0.1° | 0.0° |
| C39 | C38 | C41 | H29 | 0.0° | 0.0° |
| H1 | C29 | C28 | H3 | 7.1° | 105.5° |
| H1 | C29 | C28 | H4 | 134.0° | 28.4° |
| H2 | C29 | C28 | H3 | 119.9° | 24.6° |
| H2 | C29 | C28 | H4 | 7.0° | 158.5° |
| H3 | C28 | C27 | H5 | 8.9° | 24.7° |
| H4 | C28 | C27 | H5 | 135.8° | 158.5° |
| H5 | C27 | C26 | H6 | 75.4° | 75.4° |
| H5 | C27 | C26 | H7 | 43.9° | 164.5° |
| H10 | C11 | C10 | H12 | 16.8° | 179.2° |
| H10 | C11 | C10 | H13 | 135.0° | 59.1° |
| H11 | C11 | C10 | H12 | 102.7° | 59.2° |
| H11 | C11 | C10 | H13 | 15.5° | 60.8° |
| H12 | C10 | C09 | H18 | 146.0° | 177.8° |
| H13 | C10 | C09 | H18 | 27.7° | 57.8° |
| H14 | C17 | C18 | H15 | 0.0° | 0.1° |
| H18 | C09 | C32 | H22 | 147.4° | 177.8° |
| H18 | C09 | C32 | H23 | 29.1° | 57.7° |
| H20 | C31 | C32 | H22 | 105.5° | 59.3° |
| H20 | C31 | C32 | H23 | 12.9° | 60.9° |
| H21 | C31 | C32 | H22 | 13.8° | 179.3° |
| H21 | C31 | C32 | H23 | 132.1° | 59.1° |
| H24 | C33 | C34 | H25 | 0.0° | 0.2° |
| H25 | C34 | C35 | H26 | 0.1° | 0.0° |
| H27 | C36 | C37 | H28 | 0.4° | 0.1° |
