OF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F03 | C02 | sing | 1.40Å | 1.37Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | C40 | sing | 1.53Å | 1.53Å | |
| C02 | F01 | sing | 1.40Å | 1.36Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C39 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| F11 | C10 | sing | 1.40Å | 1.36Å | |
| C09 | C10 | sing | 1.55Å | 1.36Å | |
| C09 | N08 | sing | 1.47Å | 1.62Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | F12 | sing | 1.40Å | 1.36Å | |
| C10 | C13 | sing | 1.55Å | 1.54Å | |
| C24 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | N08 | sing | 1.35Å | 1.45Å | |
| C07 | O38 | doub | 1.21Å | 1.19Å | |
| N08 | C14 | sing | 1.47Å | 1.33Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.57Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| O26 | C25 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| N16 | C15 | sing | 1.35Å | 1.45Å | |
| N16 | C17 | sing | 1.46Å | 1.44Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | O37 | doub | 1.21Å | 1.20Å | |
| C17 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.51Å | 1.53Å | |
| N28 | C27 | sing | 1.35Å | 1.46Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C27 | O36 | doub | 1.21Å | 1.21Å | |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | N35 | doub | 1.32Å | 1.33Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| N35 | C34 | sing | 1.32Å | 1.32Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| N16 | H30 | sing | 0.97Å | 1.00Å | |
| N28 | H31 | sing | 0.97Å | 1.00Å | |
| O26 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F03 | C02 | C04 | 109.8° | 109.5° |
| F03 | C02 | C40 | 108.6° | 109.5° |
| F03 | C02 | F01 | 108.5° | 109.5° |
| C04 | C02 | C40 | 111.8° | 109.5° |
| C04 | C02 | F01 | 108.3° | 109.5° |
| C02 | C04 | C05 | 111.7° | 109.5° |
| C02 | C04 | H8 | 108.9° | 109.5° |
| C02 | C04 | H9 | 108.9° | 109.5° |
| C40 | C02 | F01 | 109.8° | 109.5° |
| C02 | C40 | C39 | 113.2° | 109.4° |
| C02 | C40 | H28 | 108.6° | 109.5° |
| C02 | C40 | H29 | 108.6° | 109.5° |
| C04 | C05 | C06 | 113.1° | 109.5° |
| C05 | C04 | H8 | 108.9° | 109.5° |
| C05 | C04 | H9 | 108.9° | 109.5° |
| C04 | C05 | H10 | 108.5° | 109.4° |
| C04 | C05 | H11 | 108.5° | 109.5° |
| C40 | C39 | C06 | 113.0° | 109.4° |
| C40 | C39 | H26 | 108.6° | 109.5° |
| C40 | C39 | H27 | 108.6° | 109.4° |
| C39 | C40 | H28 | 108.5° | 109.5° |
| C39 | C40 | H29 | 108.5° | 109.5° |
| C05 | C06 | C39 | 112.7° | 109.5° |
| C05 | C06 | C07 | 107.0° | 109.5° |
| C06 | C05 | H10 | 108.6° | 109.5° |
| C06 | C05 | H11 | 108.6° | 109.5° |
| C05 | C06 | H12 | 109.3° | 109.5° |
| C39 | C06 | C07 | 108.9° | 109.5° |
| C39 | C06 | H12 | 109.5° | 109.5° |
| C06 | C39 | H26 | 108.6° | 109.5° |
| C06 | C39 | H27 | 108.6° | 109.4° |
| C06 | C07 | N08 | 119.5° | 120.0° |
| C06 | C07 | O38 | 121.0° | 120.0° |
| C07 | C06 | H12 | 109.3° | 109.4° |
| F11 | C10 | C09 | 109.3° | 111.0° |
| F11 | C10 | F12 | 113.6° | 110.9° |
| F11 | C10 | C13 | 108.8° | 111.0° |
| C10 | C09 | N08 | 106.6° | 104.9° |
| C09 | C10 | F12 | 108.7° | 111.0° |
| C09 | C10 | C13 | 109.3° | 101.6° |
| C10 | C09 | H13 | 110.2° | 110.4° |
| C10 | C09 | H14 | 110.2° | 110.4° |
| C09 | N08 | C07 | 125.1° | 125.7° |
| C09 | N08 | C14 | 108.1° | 108.7° |
| N08 | C09 | H13 | 110.2° | 110.4° |
| N08 | C09 | H14 | 110.2° | 110.4° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C23 | C24 | C19 | 119.6° | 120.0° |
| C23 | C24 | H7 | 120.2° | 120.0° |
| C24 | C23 | H18 | 120.2° | 120.0° |
| C23 | C22 | C21 | 120.6° | 120.0° |
| C23 | C22 | H6 | 119.7° | 120.0° |
| C22 | C23 | H18 | 120.2° | 120.0° |
| F12 | C10 | C13 | 107.0° | 111.0° |
| C10 | C13 | C14 | 102.8° | 103.0° |
| C10 | C13 | H1 | 111.1° | 110.7° |
| C10 | C13 | H2 | 111.1° | 110.7° |
| C24 | C19 | C18 | 119.4° | 120.0° |
| C24 | C19 | C20 | 120.8° | 120.0° |
| C19 | C24 | H7 | 120.2° | 119.9° |
| N08 | C07 | O38 | 119.4° | 120.0° |
| C07 | N08 | C14 | 126.8° | 125.7° |
| N08 | C14 | C13 | 106.9° | 107.3° |
| N08 | C14 | C15 | 108.7° | 109.8° |
| N08 | C14 | H15 | 112.2° | 110.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H5 | 120.0° | 120.0° |
| C21 | C22 | H6 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.8° | 120.0° |
| C19 | C18 | C17 | 112.2° | 109.5° |
| C19 | C18 | H16 | 108.8° | 109.5° |
| C19 | C18 | H17 | 108.8° | 109.5° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | H4 | 120.3° | 120.0° |
| C13 | C14 | C15 | 111.2° | 109.9° |
| C14 | C13 | H1 | 111.1° | 110.8° |
| C14 | C13 | H2 | 111.1° | 110.7° |
| C13 | C14 | H15 | 108.7° | 109.9° |
| C18 | C17 | N16 | 111.2° | 109.5° |
| C18 | C17 | C25 | 111.0° | 109.5° |
| C18 | C17 | H3 | 109.8° | 109.4° |
| C17 | C18 | H16 | 108.8° | 109.5° |
| C17 | C18 | H17 | 108.8° | 109.4° |
| O26 | C25 | C17 | 108.7° | 109.5° |
| O26 | C25 | C27 | 107.4° | 109.5° |
| O26 | C25 | H19 | 110.1° | 109.5° |
| C25 | O26 | H32 | 109.5° | 114.0° |
| C14 | C15 | N16 | 116.9° | 120.0° |
| C14 | C15 | O37 | 122.4° | 120.1° |
| C15 | C14 | H15 | 109.1° | 109.9° |
| C15 | N16 | C17 | 120.0° | 120.0° |
| N16 | C15 | O37 | 120.7° | 120.0° |
| C15 | N16 | H30 | 120.0° | 120.0° |
| N16 | C17 | C25 | 104.1° | 109.5° |
| N16 | C17 | H3 | 110.9° | 109.5° |
| C17 | N16 | H30 | 120.0° | 120.0° |
| C21 | C20 | H4 | 120.4° | 120.0° |
| C20 | C21 | H5 | 120.0° | 120.0° |
| C17 | C25 | C27 | 113.9° | 109.5° |
| C25 | C17 | H3 | 109.8° | 109.4° |
| C17 | C25 | H19 | 108.4° | 109.5° |
| C25 | C27 | N28 | 117.6° | 120.0° |
| C25 | C27 | O36 | 121.1° | 120.0° |
| C27 | C25 | H19 | 108.3° | 109.5° |
| C27 | N28 | C29 | 121.1° | 120.0° |
| N28 | C27 | O36 | 121.3° | 120.0° |
| C27 | N28 | H31 | 119.4° | 120.0° |
| N28 | C29 | C30 | 125.0° | 109.5° |
| N28 | C29 | H20 | 105.5° | 109.5° |
| N28 | C29 | H21 | 105.5° | 109.5° |
| C29 | N28 | H31 | 119.5° | 120.0° |
| C32 | C31 | C30 | 117.4° | 119.1° |
| C31 | C32 | C33 | 119.4° | 118.4° |
| C32 | C31 | H22 | 121.3° | 120.4° |
| C31 | C32 | H23 | 120.3° | 120.8° |
| C31 | C30 | C29 | 122.2° | 119.6° |
| C31 | C30 | N35 | 121.8° | 120.8° |
| C30 | C31 | H22 | 121.3° | 120.5° |
| C29 | C30 | N35 | 116.0° | 119.6° |
| C30 | C29 | H20 | 105.4° | 109.4° |
| C30 | C29 | H21 | 105.5° | 109.5° |
| C32 | C33 | C34 | 119.9° | 119.2° |
| C33 | C32 | H23 | 120.3° | 120.8° |
| C32 | C33 | H24 | 120.1° | 120.4° |
| C30 | N35 | C34 | 122.4° | 121.7° |
| C33 | C34 | N35 | 119.2° | 120.8° |
| C34 | C33 | H24 | 120.1° | 120.4° |
| C33 | C34 | H25 | 120.4° | 119.7° |
| N35 | C34 | H25 | 120.4° | 119.6° |
| H1 | C13 | H2 | 109.5° | 110.7° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H13 | C09 | H14 | 109.5° | 110.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.4° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.5° |
| H28 | C40 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F03 | C02 | C04 | C40 | 120.5° | 120.0° |
| F03 | C02 | C04 | F01 | 118.4° | 120.0° |
| F03 | C02 | C40 | F01 | 118.5° | 120.0° |
| F03 | C02 | C04 | C05 | 173.9° | 180.0° |
| F03 | C02 | C40 | C39 | 173.5° | 180.0° |
| F03 | C02 | C04 | H8 | 65.8° | 60.0° |
| F03 | C02 | C04 | H9 | 53.6° | 60.0° |
| F03 | C02 | C40 | H28 | 53.0° | 60.0° |
| F03 | C02 | C40 | H29 | 66.0° | 60.0° |
| C04 | C02 | C40 | F01 | 120.3° | 120.0° |
| C02 | C04 | C05 | H8 | 120.3° | 120.0° |
| C02 | C04 | C05 | H9 | 120.3° | 120.0° |
| C04 | C02 | C40 | C39 | 52.3° | 60.1° |
| C02 | C04 | C05 | C06 | 53.0° | 60.0° |
| C02 | C04 | H8 | H9 | 119.0° | 120.0° |
| C02 | C04 | C05 | H10 | 67.6° | 60.0° |
| C02 | C04 | C05 | H11 | 173.5° | 180.0° |
| C04 | C02 | C40 | H28 | 68.3° | 60.0° |
| C04 | C02 | C40 | H29 | 172.8° | 180.0° |
| C40 | C02 | C04 | C05 | 53.3° | 60.0° |
| C02 | C40 | C39 | H28 | 120.6° | 120.0° |
| C02 | C40 | C39 | H29 | 120.5° | 120.0° |
| C02 | C40 | C39 | C06 | 50.2° | 60.1° |
| C40 | C02 | C04 | H8 | 173.7° | 180.0° |
| C40 | C02 | C04 | H9 | 67.0° | 60.0° |
| C02 | C40 | C39 | H26 | 170.7° | 60.0° |
| C02 | C40 | C39 | H27 | 70.4° | 180.0° |
| C02 | C40 | H28 | H29 | 118.4° | 120.0° |
| F01 | C02 | C04 | C05 | 67.8° | 60.0° |
| F01 | C02 | C40 | C39 | 68.0° | 59.9° |
| F01 | C02 | C04 | H8 | 52.5° | 60.0° |
| F01 | C02 | C04 | H9 | 171.9° | 180.0° |
| F01 | C02 | C40 | H28 | 171.5° | 180.0° |
| F01 | C02 | C40 | H29 | 52.5° | 60.0° |
| C04 | C05 | C06 | H10 | 120.5° | 120.0° |
| C04 | C05 | C06 | H11 | 120.5° | 120.0° |
| C04 | C05 | C06 | C39 | 50.8° | 60.0° |
| C04 | C05 | C06 | C07 | 170.5° | 180.0° |
| C05 | C04 | H8 | H9 | 118.9° | 120.0° |
| C04 | C05 | H10 | H11 | 118.3° | 120.0° |
| C04 | C05 | C06 | H12 | 71.2° | 60.1° |
| C40 | C39 | C06 | C05 | 48.9° | 60.0° |
| C40 | C39 | C06 | H26 | 120.5° | 120.1° |
| C40 | C39 | C06 | H27 | 120.5° | 119.9° |
| C40 | C39 | C06 | C07 | 167.5° | 180.0° |
| C40 | C39 | C06 | H12 | 73.0° | 60.0° |
| C40 | C39 | H26 | H27 | 118.4° | 120.0° |
| C39 | C40 | H28 | H29 | 118.3° | 120.0° |
| C05 | C06 | C39 | C07 | 118.6° | 120.0° |
| C05 | C06 | C39 | H12 | 121.9° | 120.0° |
| C05 | C06 | C07 | H12 | 118.3° | 120.0° |
| C05 | C06 | C07 | N08 | 89.4° | 180.0° |
| C05 | C06 | C07 | O38 | 89.7° | 0.0° |
| C06 | C05 | C04 | H8 | 173.3° | 180.0° |
| C06 | C05 | C04 | H9 | 67.4° | 60.0° |
| C06 | C05 | H10 | H11 | 118.4° | 120.0° |
| C05 | C06 | C39 | H26 | 169.4° | 60.0° |
| C05 | C06 | C39 | H27 | 71.6° | 180.0° |
| C39 | C06 | C07 | H12 | 119.6° | 120.0° |
| C39 | C06 | C07 | N08 | 148.5° | 60.0° |
| C39 | C06 | C07 | O38 | 32.4° | 120.0° |
| C39 | C06 | C05 | H10 | 69.8° | 60.0° |
| C39 | C06 | C05 | H11 | 171.3° | 180.0° |
| C06 | C39 | H26 | H27 | 118.5° | 120.0° |
| C06 | C39 | C40 | H28 | 70.4° | 60.0° |
| C06 | C39 | C40 | H29 | 170.7° | 180.0° |
| C06 | C07 | N08 | C09 | 0.5° | 4.3° |
| C06 | C07 | N08 | O38 | 179.1° | 179.9° |
| C06 | C07 | N08 | C14 | 179.0° | 175.8° |
| C07 | C06 | C05 | H10 | 50.0° | 60.0° |
| C07 | C06 | C05 | H11 | 69.0° | 60.0° |
| C07 | C06 | C39 | H26 | 72.0° | 60.0° |
| C07 | C06 | C39 | H27 | 47.0° | 60.0° |
| F11 | C10 | C09 | F12 | 124.5° | 123.9° |
| F11 | C10 | C09 | C13 | 119.0° | 118.1° |
| F11 | C10 | C09 | N08 | 124.9° | 155.1° |
| F11 | C10 | F12 | C13 | 120.1° | 123.9° |
| F11 | C10 | C13 | C14 | 137.6° | 153.6° |
| F11 | C10 | C13 | H1 | 103.5° | 88.0° |
| F11 | C10 | C13 | H2 | 18.6° | 35.2° |
| F11 | C10 | C09 | H13 | 5.3° | 36.2° |
| F11 | C10 | C09 | H14 | 115.6° | 86.1° |
| C10 | C09 | N08 | H13 | 119.5° | 118.9° |
| C10 | C09 | N08 | H14 | 119.6° | 118.9° |
| C09 | C10 | F12 | C13 | 118.0° | 112.2° |
| C10 | C09 | N08 | C07 | 169.2° | 155.9° |
| C10 | C09 | N08 | C14 | 11.2° | 24.1° |
| C09 | C10 | C13 | C14 | 18.2° | 35.5° |
| C09 | C10 | C13 | H1 | 137.2° | 153.9° |
| C09 | C10 | C13 | H2 | 100.7° | 82.9° |
| C10 | C09 | H13 | H14 | 121.3° | 122.3° |
| N08 | C09 | C10 | F12 | 110.6° | 81.0° |
| N08 | C09 | C10 | C13 | 5.9° | 37.0° |
| C09 | N08 | C07 | C14 | 179.5° | 179.9° |
| C09 | N08 | C07 | O38 | 179.6° | 175.8° |
| C09 | N08 | C14 | C13 | 22.4° | 1.1° |
| C09 | N08 | C14 | C15 | 97.8° | 120.5° |
| N08 | C09 | H13 | H14 | 121.3° | 122.3° |
| C09 | N08 | C14 | H15 | 141.5° | 118.4° |
| C24 | C23 | C22 | H18 | 180.0° | 179.7° |
| C23 | C24 | C19 | H7 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.3° |
| C23 | C24 | C19 | C18 | 179.7° | 179.9° |
| C23 | C24 | C19 | C20 | 0.5° | 0.1° |
| C24 | C23 | C22 | H6 | 179.8° | 179.6° |
| C22 | C23 | C24 | C19 | 0.1° | 0.4° |
| C23 | C22 | C21 | H6 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C23 | C22 | C21 | H5 | 179.8° | 180.0° |
| C22 | C23 | C24 | H7 | 179.9° | 179.7° |
| F12 | C10 | C13 | C14 | 99.3° | 82.6° |
| F12 | C10 | C13 | H1 | 19.6° | 35.8° |
| F12 | C10 | C13 | H2 | 141.8° | 159.0° |
| F12 | C10 | C09 | H13 | 129.8° | 160.1° |
| F12 | C10 | C09 | H14 | 8.9° | 37.8° |
| C10 | C13 | C14 | N08 | 25.4° | 22.2° |
| C10 | C13 | C14 | H1 | 118.9° | 118.4° |
| C10 | C13 | C14 | H2 | 118.9° | 118.4° |
| C10 | C13 | C14 | C15 | 93.1° | 97.2° |
| C10 | C13 | H1 | H2 | 123.1° | 123.2° |
| C13 | C10 | C09 | H13 | 113.7° | 81.8° |
| C13 | C10 | C09 | H14 | 125.4° | 155.9° |
| C10 | C13 | C14 | H15 | 146.7° | 141.8° |
| C24 | C19 | C18 | C20 | 179.2° | 179.9° |
| C24 | C19 | C18 | C17 | 107.5° | 93.7° |
| C24 | C19 | C20 | C21 | 0.5° | 0.2° |
| C24 | C19 | C20 | H4 | 179.5° | 180.0° |
| C24 | C19 | C18 | H16 | 13.0° | 26.3° |
| C24 | C19 | C18 | H17 | 132.1° | 146.4° |
| C19 | C24 | C23 | H18 | 179.9° | 180.0° |
| C07 | N08 | C14 | C13 | 158.0° | 179.0° |
| C07 | N08 | C14 | C15 | 81.8° | 59.6° |
| N08 | C07 | C06 | H12 | 28.9° | 60.0° |
| C07 | N08 | C09 | H13 | 49.7° | 85.2° |
| C07 | N08 | C09 | H14 | 71.2° | 37.1° |
| C07 | N08 | C14 | H15 | 38.9° | 61.5° |
| O38 | C07 | N08 | C14 | 0.1° | 4.1° |
| O38 | C07 | C06 | H12 | 152.0° | 119.9° |
| N08 | C14 | C13 | C15 | 118.5° | 119.4° |
| N08 | C14 | C13 | H15 | 121.3° | 119.6° |
| N08 | C14 | C15 | H15 | 122.6° | 121.2° |
| N08 | C14 | C15 | N16 | 6.9° | 172.6° |
| N08 | C14 | C15 | O37 | 173.5° | 7.5° |
| N08 | C14 | C13 | H1 | 144.3° | 140.6° |
| N08 | C14 | C13 | H2 | 93.5° | 96.2° |
| C14 | N08 | C09 | H13 | 130.7° | 94.7° |
| C14 | N08 | C09 | H14 | 108.4° | 143.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.3° |
| C22 | C21 | C20 | H5 | 180.0° | 179.8° |
| C22 | C21 | C20 | H4 | 179.8° | 179.9° |
| C21 | C22 | C23 | H18 | 179.8° | 179.9° |
| C19 | C18 | C17 | H16 | 120.4° | 120.0° |
| C19 | C18 | C17 | H17 | 120.4° | 119.9° |
| C19 | C18 | C17 | N16 | 64.8° | 60.4° |
| C18 | C19 | C20 | C21 | 179.7° | 179.7° |
| C19 | C18 | C17 | C25 | 179.9° | 179.6° |
| C19 | C18 | C17 | H3 | 58.3° | 59.6° |
| C18 | C19 | C20 | H4 | 0.3° | 0.0° |
| C18 | C19 | C24 | H7 | 0.3° | 0.0° |
| C19 | C18 | H16 | H17 | 118.7° | 120.0° |
| C20 | C19 | C18 | C17 | 73.3° | 86.2° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C19 | C20 | C21 | H5 | 179.8° | 179.8° |
| C20 | C19 | C24 | H7 | 179.5° | 180.0° |
| C20 | C19 | C18 | H16 | 166.2° | 153.7° |
| C20 | C19 | C18 | H17 | 47.1° | 33.7° |
| C13 | C14 | C15 | H15 | 119.9° | 121.0° |
| C13 | C14 | C15 | N16 | 124.4° | 69.6° |
| C13 | C14 | C15 | O37 | 56.1° | 110.3° |
| C14 | C13 | H1 | H2 | 123.1° | 123.3° |
| C18 | C17 | C25 | O26 | 71.7° | 55.0° |
| C18 | C17 | N16 | C15 | 122.8° | 118.8° |
| C18 | C17 | N16 | C25 | 119.6° | 120.0° |
| C18 | C17 | N16 | H3 | 122.4° | 120.0° |
| C18 | C17 | C25 | H3 | 121.5° | 119.9° |
| C18 | C17 | C25 | C27 | 168.6° | 175.0° |
| C17 | C18 | H16 | H17 | 118.8° | 120.0° |
| C18 | C17 | C25 | H19 | 48.0° | 65.0° |
| C18 | C17 | N16 | H30 | 57.2° | 61.1° |
| O26 | C25 | C17 | N16 | 48.0° | 65.0° |
| O26 | C25 | C17 | C27 | 119.7° | 120.0° |
| O26 | C25 | C17 | H19 | 119.7° | 120.0° |
| O26 | C25 | C27 | H19 | 118.9° | 120.0° |
| O26 | C25 | C27 | N28 | 10.7° | 175.0° |
| O26 | C25 | C27 | O36 | 169.5° | 5.0° |
| O26 | C25 | C17 | H3 | 166.7° | 175.0° |
| C14 | C15 | N16 | O37 | 179.6° | 180.0° |
| C14 | C15 | N16 | C17 | 177.6° | 174.5° |
| C15 | C14 | C13 | H1 | 25.8° | 21.2° |
| C15 | C14 | C13 | H2 | 147.9° | 144.5° |
| C14 | C15 | N16 | H30 | 2.3° | 5.5° |
| C15 | N16 | C17 | H30 | 180.0° | 179.9° |
| C15 | N16 | C17 | C25 | 117.6° | 121.1° |
| C15 | N16 | C17 | H3 | 0.4° | 1.2° |
| N16 | C15 | C14 | H15 | 115.7° | 51.4° |
| C17 | N16 | C15 | O37 | 1.9° | 5.4° |
| N16 | C17 | C25 | H3 | 118.8° | 120.0° |
| N16 | C17 | C25 | C27 | 71.8° | 55.0° |
| N16 | C17 | C18 | H16 | 55.6° | 179.6° |
| N16 | C17 | C18 | H17 | 174.8° | 59.5° |
| N16 | C17 | C25 | H19 | 167.7° | 175.0° |
| C20 | C21 | C22 | H6 | 179.8° | 180.0° |
| O37 | C15 | C14 | H15 | 63.8° | 128.6° |
| O37 | C15 | N16 | H30 | 178.1° | 174.5° |
| C17 | C25 | C27 | H19 | 120.6° | 120.0° |
| C17 | C25 | C27 | N28 | 131.1° | 65.0° |
| C17 | C25 | C27 | O36 | 49.1° | 114.9° |
| C25 | C17 | C18 | H16 | 59.7° | 59.5° |
| C25 | C17 | C18 | H17 | 59.5° | 60.5° |
| C25 | C17 | N16 | H30 | 62.3° | 58.9° |
| C17 | C25 | O26 | H32 | 180.0° | 60.0° |
| C25 | C27 | N28 | O36 | 179.8° | 179.9° |
| C25 | C27 | N28 | C29 | 175.5° | 180.0° |
| C27 | C25 | C17 | H3 | 47.0° | 65.0° |
| C25 | C27 | N28 | H31 | 4.5° | 0.1° |
| C27 | C25 | O26 | H32 | 56.3° | 60.0° |
| C27 | N28 | C29 | H31 | 180.0° | 179.9° |
| C27 | N28 | C29 | C30 | 75.8° | 180.0° |
| N28 | C27 | C25 | H19 | 108.2° | 55.0° |
| C27 | N28 | C29 | H20 | 162.2° | 60.0° |
| C27 | N28 | C29 | H21 | 46.4° | 60.1° |
| C29 | N28 | C27 | O36 | 4.3° | 0.1° |
| N28 | C29 | C30 | C31 | 3.1° | 95.2° |
| N28 | C29 | C30 | H20 | 122.1° | 120.0° |
| N28 | C29 | C30 | H21 | 122.1° | 120.0° |
| N28 | C29 | C30 | N35 | 176.5° | 85.0° |
| N28 | C29 | H20 | H21 | 113.0° | 120.0° |
| O36 | C27 | C25 | H19 | 71.6° | 125.0° |
| O36 | C27 | N28 | H31 | 175.7° | 180.0° |
| C32 | C31 | C30 | H22 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 179.9° | 180.0° |
| C31 | C32 | C33 | H23 | 180.0° | 180.0° |
| C32 | C31 | C30 | N35 | 0.3° | 0.3° |
| C31 | C32 | C33 | C34 | 0.5° | 0.0° |
| C31 | C32 | C33 | H24 | 179.5° | 180.0° |
| C31 | C30 | C29 | N35 | 179.6° | 179.8° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | N35 | C34 | 0.3° | 0.5° |
| C31 | C30 | C29 | H20 | 119.0° | 144.7° |
| C31 | C30 | C29 | H21 | 125.2° | 24.7° |
| C30 | C31 | C32 | H23 | 179.9° | 180.0° |
| C29 | C30 | N35 | C34 | 179.9° | 179.7° |
| C30 | C29 | H20 | H21 | 113.0° | 120.0° |
| C29 | C30 | C31 | H22 | 0.1° | 0.0° |
| C30 | C29 | N28 | H31 | 104.2° | 0.1° |
| C32 | C33 | C34 | H24 | 180.0° | 179.9° |
| C32 | C33 | C34 | N35 | 0.5° | 0.3° |
| C33 | C32 | C31 | H22 | 179.9° | 180.0° |
| C32 | C33 | C34 | H25 | 179.6° | 180.0° |
| C30 | N35 | C34 | C33 | 0.1° | 0.5° |
| N35 | C30 | C29 | H20 | 61.4° | 35.1° |
| N35 | C30 | C29 | H21 | 54.4° | 155.0° |
| N35 | C30 | C31 | H22 | 179.7° | 179.8° |
| C30 | N35 | C34 | H25 | 180.0° | 179.7° |
| C33 | C34 | N35 | H25 | 180.0° | 179.7° |
| C34 | C33 | C32 | H23 | 179.6° | 180.0° |
| N35 | C34 | C33 | H24 | 179.5° | 179.8° |
| H1 | C13 | C14 | H15 | 94.4° | 99.8° |
| H2 | C13 | C14 | H15 | 27.8° | 23.4° |
| H3 | C17 | C18 | H16 | 178.7° | 60.4° |
| H3 | C17 | C18 | H17 | 62.1° | 179.6° |
| H3 | C17 | C25 | H19 | 73.6° | 55.0° |
| H3 | C17 | N16 | H30 | 179.7° | 178.9° |
| H4 | C20 | C21 | H5 | 0.2° | 0.1° |
| H5 | C21 | C22 | H6 | 0.2° | 0.2° |
| H6 | C22 | C23 | H18 | 0.2° | 0.0° |
| H7 | C24 | C23 | H18 | 0.2° | 0.1° |
| H8 | C04 | C05 | H10 | 52.8° | 60.0° |
| H8 | C04 | C05 | H11 | 66.1° | 60.0° |
| H9 | C04 | C05 | H10 | 172.1° | 180.0° |
| H9 | C04 | C05 | H11 | 53.2° | 60.0° |
| H10 | C05 | C06 | H12 | 168.3° | 180.0° |
| H11 | C05 | C06 | H12 | 49.3° | 60.0° |
| H12 | C06 | C39 | H26 | 47.5° | 180.0° |
| H12 | C06 | C39 | H27 | 166.5° | 59.9° |
| H19 | C25 | O26 | H32 | 61.4° | 180.0° |
| H20 | C29 | N28 | H31 | 17.8° | 119.9° |
| H21 | C29 | N28 | H31 | 133.6° | 120.1° |
| H22 | C31 | C32 | H23 | 0.1° | 0.1° |
| H23 | C32 | C33 | H24 | 0.5° | 0.1° |
| H24 | C33 | C34 | H25 | 0.4° | 0.0° |
| H26 | C39 | C40 | H28 | 50.1° | 180.0° |
| H26 | C39 | C40 | H29 | 68.8° | 60.0° |
| H27 | C39 | C40 | H28 | 169.1° | 60.0° |
| H27 | C39 | C40 | H29 | 50.2° | 60.1° |
