JH9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F08 | C07 | sing | 1.35Å | 1.37Å | |
| C09 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | N11 | sing | 1.35Å | 1.44Å | |
| C24 | C23 | doub | 1.31Å | 1.33Å | |
| N11 | C12 | sing | 1.46Å | 1.44Å | |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | C21 | sing | 1.51Å | 1.55Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C27 | sing | 1.53Å | 1.52Å | |
| O26 | C13 | doub | 1.21Å | 1.18Å | |
| C13 | N14 | sing | 1.35Å | 1.46Å | |
| C25 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| C31 | O32 | sing | 1.36Å | 1.39Å | |
| C31 | C30 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| O32 | P33 | sing | 1.61Å | 1.66Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| O36 | P33 | doub | 1.48Å | 1.50Å | |
| C19 | F20 | sing | 1.35Å | 1.36Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| P33 | O35 | sing | 1.61Å | 1.52Å | |
| P33 | O34 | sing | 1.61Å | 1.51Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | H22 | sing | 1.08Å | 1.08Å | |
| C38 | H23 | sing | 1.08Å | 1.08Å | |
| N11 | H24 | sing | 0.97Å | 1.00Å | |
| N14 | H25 | sing | 0.97Å | 1.00Å | |
| O34 | H26 | sing | 0.97Å | 0.95Å | |
| O35 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F08 | C07 | C09 | 119.2° | 120.0° |
| F08 | C07 | C06 | 120.2° | 120.1° |
| C07 | C09 | C10 | 120.0° | 120.0° |
| C09 | C07 | C06 | 120.7° | 119.9° |
| C07 | C09 | H13 | 120.0° | 120.0° |
| C09 | C10 | C04 | 119.3° | 120.1° |
| C09 | C10 | H1 | 120.3° | 120.0° |
| C10 | C09 | H13 | 120.0° | 120.0° |
| C07 | C06 | C05 | 119.3° | 120.0° |
| C07 | C06 | H12 | 120.3° | 120.0° |
| C10 | C04 | C05 | 120.8° | 120.0° |
| C10 | C04 | C03 | 119.5° | 120.0° |
| C04 | C10 | H1 | 120.3° | 119.9° |
| C06 | C05 | C04 | 119.9° | 120.1° |
| C06 | C05 | H11 | 120.1° | 120.0° |
| C05 | C06 | H12 | 120.3° | 120.0° |
| C05 | C04 | C03 | 119.8° | 120.0° |
| C04 | C05 | H11 | 120.1° | 120.0° |
| C04 | C03 | C02 | 111.0° | 109.5° |
| C04 | C03 | H9 | 109.1° | 109.4° |
| C04 | C03 | H10 | 109.1° | 109.5° |
| C03 | C02 | O01 | 121.7° | 120.0° |
| C03 | C02 | N11 | 119.6° | 120.0° |
| C02 | C03 | H9 | 109.1° | 109.4° |
| C02 | C03 | H10 | 109.1° | 109.5° |
| O01 | C02 | N11 | 118.7° | 120.0° |
| C02 | N11 | C12 | 117.5° | 120.0° |
| C02 | N11 | H24 | 121.2° | 119.9° |
| C24 | C23 | C22 | 122.0° | 120.0° |
| C23 | C24 | H7 | 120.0° | 120.0° |
| C23 | C24 | H8 | 120.0° | 120.0° |
| C24 | C23 | H16 | 119.0° | 120.0° |
| N11 | C12 | C13 | 105.3° | 109.5° |
| N11 | C12 | C27 | 107.8° | 109.5° |
| N11 | C12 | H14 | 110.9° | 109.5° |
| C12 | N11 | H24 | 121.3° | 120.1° |
| C23 | C22 | C21 | 116.1° | 109.5° |
| C23 | C22 | H5 | 107.8° | 109.5° |
| C23 | C22 | H6 | 107.8° | 109.5° |
| C22 | C23 | H16 | 119.0° | 120.0° |
| C22 | C21 | C25 | 122.4° | 120.0° |
| C22 | C21 | C19 | 118.9° | 120.0° |
| C21 | C22 | H5 | 107.8° | 109.5° |
| C21 | C22 | H6 | 107.8° | 109.5° |
| C38 | C37 | C31 | 119.3° | 119.9° |
| C37 | C38 | C28 | 119.3° | 120.1° |
| C38 | C37 | H22 | 120.4° | 120.0° |
| C37 | C38 | H23 | 120.3° | 119.9° |
| C37 | C31 | O32 | 121.3° | 120.0° |
| C37 | C31 | C30 | 120.9° | 119.9° |
| C31 | C37 | H22 | 120.3° | 120.0° |
| C38 | C28 | C27 | 121.8° | 120.0° |
| C38 | C28 | C29 | 120.7° | 120.1° |
| C28 | C38 | H23 | 120.4° | 120.0° |
| C13 | C12 | C27 | 113.4° | 109.5° |
| C12 | C13 | O26 | 119.2° | 120.0° |
| C12 | C13 | N14 | 122.2° | 120.0° |
| C13 | C12 | H14 | 109.6° | 109.5° |
| C12 | C27 | C28 | 108.5° | 109.5° |
| C27 | C12 | H14 | 109.7° | 109.4° |
| C12 | C27 | H18 | 109.7° | 109.5° |
| C12 | C27 | H19 | 109.7° | 109.5° |
| O26 | C13 | N14 | 118.6° | 119.9° |
| C13 | N14 | C15 | 117.8° | 120.0° |
| C13 | N14 | H25 | 121.1° | 120.0° |
| C21 | C25 | C16 | 119.6° | 120.0° |
| C25 | C21 | C19 | 118.7° | 120.0° |
| C21 | C25 | H17 | 120.2° | 120.0° |
| C25 | C16 | C15 | 121.8° | 120.0° |
| C25 | C16 | C17 | 120.8° | 120.0° |
| C16 | C25 | H17 | 120.2° | 120.0° |
| C21 | C19 | F20 | 120.0° | 120.0° |
| C21 | C19 | C18 | 121.4° | 119.9° |
| N14 | C15 | C16 | 110.8° | 109.5° |
| N14 | C15 | H2 | 109.2° | 109.5° |
| N14 | C15 | H3 | 109.2° | 109.4° |
| C15 | N14 | H25 | 121.1° | 120.0° |
| O32 | C31 | C30 | 117.8° | 120.0° |
| C31 | O32 | P33 | 121.3° | 114.0° |
| C31 | C30 | C29 | 119.6° | 119.9° |
| C31 | C30 | H21 | 120.2° | 120.0° |
| C27 | C28 | C29 | 117.6° | 120.0° |
| C28 | C27 | H18 | 109.7° | 109.5° |
| C28 | C27 | H19 | 109.7° | 109.5° |
| C28 | C29 | C30 | 120.2° | 120.1° |
| C28 | C29 | H20 | 119.9° | 119.9° |
| O32 | P33 | O36 | 105.6° | 109.5° |
| O32 | P33 | O35 | 107.8° | 109.4° |
| O32 | P33 | O34 | 111.9° | 109.5° |
| C15 | C16 | C17 | 117.4° | 120.0° |
| C16 | C15 | H2 | 109.1° | 109.5° |
| C16 | C15 | H3 | 109.1° | 109.5° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H4 | 120.0° | 120.0° |
| O36 | P33 | O35 | 112.5° | 109.5° |
| O36 | P33 | O34 | 112.2° | 109.5° |
| F20 | C19 | C18 | 118.6° | 120.1° |
| C19 | C18 | C17 | 119.5° | 120.0° |
| C19 | C18 | H15 | 120.2° | 120.0° |
| C30 | C29 | H20 | 119.9° | 120.0° |
| C29 | C30 | H21 | 120.2° | 120.0° |
| O35 | P33 | O34 | 106.9° | 109.5° |
| P33 | O35 | H27 | 109.5° | 114.0° |
| P33 | O34 | H26 | 109.5° | 114.0° |
| C18 | C17 | H4 | 120.0° | 120.0° |
| C17 | C18 | H15 | 120.2° | 120.0° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H7 | C24 | H8 | 120.0° | 120.1° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F08 | C07 | C09 | C06 | 179.9° | 179.6° |
| F08 | C07 | C09 | C10 | 180.0° | 179.7° |
| F08 | C07 | C06 | C05 | 179.9° | 180.0° |
| F08 | C07 | C06 | H12 | 0.1° | 0.0° |
| F08 | C07 | C09 | H13 | 0.0° | 0.3° |
| C07 | C09 | C10 | H13 | 180.0° | 179.3° |
| C07 | C09 | C10 | C04 | 0.4° | 0.7° |
| C09 | C07 | C06 | C05 | 0.0° | 0.3° |
| C07 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C07 | C06 | H12 | 180.0° | 179.7° |
| C10 | C09 | C07 | C06 | 0.1° | 0.7° |
| C09 | C10 | C04 | H1 | 180.0° | 179.6° |
| C09 | C10 | C04 | C05 | 0.6° | 0.3° |
| C09 | C10 | C04 | C03 | 179.8° | 179.7° |
| C07 | C06 | C05 | H12 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | H11 | 179.8° | 180.0° |
| C06 | C07 | C09 | H13 | 179.9° | 180.0° |
| C10 | C04 | C05 | C06 | 0.5° | 0.0° |
| C10 | C04 | C05 | C03 | 179.6° | 179.9° |
| C10 | C04 | C03 | C02 | 78.2° | 90.0° |
| C10 | C04 | C03 | H9 | 161.6° | 29.9° |
| C10 | C04 | C03 | H10 | 42.1° | 150.0° |
| C10 | C04 | C05 | H11 | 179.5° | 180.0° |
| C04 | C10 | C09 | H13 | 179.6° | 180.0° |
| C06 | C05 | C04 | H11 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 101.4° | 90.0° |
| C05 | C04 | C10 | H1 | 179.4° | 180.0° |
| C05 | C04 | C03 | H9 | 18.8° | 150.0° |
| C05 | C04 | C03 | H10 | 138.4° | 30.0° |
| C04 | C05 | C06 | H12 | 179.8° | 180.0° |
| C04 | C03 | C02 | H9 | 120.2° | 119.9° |
| C04 | C03 | C02 | H10 | 120.3° | 120.0° |
| C04 | C03 | C02 | O01 | 45.3° | 0.1° |
| C04 | C03 | C02 | N11 | 133.9° | 180.0° |
| C03 | C04 | C10 | H1 | 0.2° | 0.1° |
| C04 | C03 | H9 | H10 | 119.3° | 120.0° |
| C03 | C04 | C05 | H11 | 0.0° | 0.0° |
| C03 | C02 | O01 | N11 | 179.2° | 179.9° |
| C03 | C02 | N11 | C12 | 179.2° | 180.0° |
| C02 | C03 | H9 | H10 | 119.3° | 120.0° |
| C03 | C02 | N11 | H24 | 0.8° | 0.1° |
| O01 | C02 | N11 | C12 | 1.5° | 0.0° |
| O01 | C02 | C03 | H9 | 165.5° | 120.0° |
| O01 | C02 | C03 | H10 | 75.0° | 119.9° |
| O01 | C02 | N11 | H24 | 178.5° | 180.0° |
| C02 | N11 | C12 | H24 | 180.0° | 180.0° |
| C02 | N11 | C12 | C13 | 107.7° | 60.0° |
| C02 | N11 | C12 | C27 | 131.0° | 60.0° |
| N11 | C02 | C03 | H9 | 13.7° | 60.1° |
| N11 | C02 | C03 | H10 | 105.8° | 60.0° |
| C02 | N11 | C12 | H14 | 10.9° | 180.0° |
| C24 | C23 | C22 | H16 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 148.2° | 125.0° |
| C24 | C23 | C22 | H5 | 27.2° | 5.0° |
| C24 | C23 | C22 | H6 | 90.9° | 115.0° |
| C23 | C24 | H7 | H8 | 180.0° | 180.0° |
| N11 | C12 | C13 | C27 | 117.6° | 120.0° |
| N11 | C12 | C13 | H14 | 119.4° | 120.0° |
| N11 | C12 | C27 | H14 | 120.9° | 120.0° |
| N11 | C12 | C13 | O26 | 38.9° | 20.0° |
| N11 | C12 | C13 | N14 | 138.8° | 160.0° |
| N11 | C12 | C27 | C28 | 88.1° | 65.0° |
| N11 | C12 | C27 | H18 | 31.8° | 175.0° |
| N11 | C12 | C27 | H19 | 152.0° | 55.0° |
| C23 | C22 | C21 | H5 | 120.9° | 120.0° |
| C23 | C22 | C21 | H6 | 121.0° | 120.0° |
| C23 | C22 | C21 | C25 | 102.8° | 100.0° |
| C23 | C22 | C21 | C19 | 77.6° | 80.0° |
| C23 | C22 | H5 | H6 | 117.0° | 120.0° |
| C22 | C23 | C24 | H7 | 0.0° | 0.0° |
| C22 | C23 | C24 | H8 | 180.0° | 180.0° |
| C22 | C21 | C25 | C19 | 179.6° | 179.9° |
| C22 | C21 | C25 | C16 | 180.0° | 179.3° |
| C22 | C21 | C19 | F20 | 0.2° | 0.0° |
| C22 | C21 | C19 | C18 | 179.7° | 179.5° |
| C21 | C22 | H5 | H6 | 117.0° | 120.0° |
| C21 | C22 | C23 | H16 | 31.8° | 55.0° |
| C22 | C21 | C25 | H17 | 0.0° | 0.1° |
| C38 | C37 | C31 | H22 | 180.0° | 179.5° |
| C37 | C38 | C28 | H23 | 180.0° | 179.4° |
| C38 | C37 | C31 | O32 | 178.2° | 179.7° |
| C38 | C37 | C31 | C30 | 0.1° | 0.3° |
| C37 | C38 | C28 | C27 | 179.8° | 179.7° |
| C37 | C38 | C28 | C29 | 1.3° | 0.6° |
| C31 | C37 | C38 | C28 | 0.6° | 0.6° |
| C37 | C31 | O32 | C30 | 178.2° | 180.0° |
| C37 | C31 | O32 | P33 | 121.5° | 90.0° |
| C37 | C31 | C30 | C29 | 0.0° | 0.0° |
| C37 | C31 | C30 | H21 | 180.0° | 179.9° |
| C31 | C37 | C38 | H23 | 179.5° | 180.0° |
| C38 | C28 | C27 | C12 | 71.1° | 90.3° |
| C38 | C28 | C27 | C29 | 178.5° | 179.7° |
| C38 | C28 | C29 | C30 | 1.4° | 0.3° |
| C38 | C28 | C27 | H18 | 48.8° | 29.7° |
| C38 | C28 | C27 | H19 | 169.1° | 149.7° |
| C38 | C28 | C29 | H20 | 178.6° | 179.7° |
| C28 | C38 | C37 | H22 | 179.4° | 179.9° |
| C13 | C12 | C27 | H14 | 123.0° | 120.0° |
| C12 | C13 | O26 | N14 | 177.8° | 180.0° |
| C12 | C13 | N14 | C15 | 179.3° | 180.0° |
| C13 | C12 | C27 | C28 | 155.8° | 175.0° |
| C13 | C12 | C27 | H18 | 84.4° | 55.0° |
| C13 | C12 | C27 | H19 | 35.9° | 65.0° |
| C13 | C12 | N11 | H24 | 72.4° | 120.0° |
| C12 | C13 | N14 | H25 | 0.7° | 0.0° |
| C27 | C12 | C13 | O26 | 78.6° | 100.0° |
| C27 | C12 | C13 | N14 | 103.7° | 80.0° |
| C12 | C27 | C28 | H18 | 119.9° | 120.0° |
| C12 | C27 | C28 | H19 | 119.9° | 120.0° |
| C12 | C27 | C28 | C29 | 107.5° | 90.0° |
| C12 | C27 | H18 | H19 | 120.4° | 120.0° |
| C27 | C12 | N11 | H24 | 49.0° | 120.0° |
| O26 | C13 | N14 | C15 | 1.6° | 0.0° |
| O26 | C13 | C12 | H14 | 158.3° | 140.0° |
| O26 | C13 | N14 | H25 | 178.5° | 180.0° |
| C13 | N14 | C15 | H25 | 180.0° | 179.9° |
| C13 | N14 | C15 | C16 | 170.9° | 180.0° |
| C13 | N14 | C15 | H2 | 68.9° | 60.0° |
| C13 | N14 | C15 | H3 | 50.7° | 60.0° |
| N14 | C13 | C12 | H14 | 19.4° | 40.0° |
| C21 | C25 | C16 | H17 | 180.0° | 179.2° |
| C21 | C25 | C16 | C15 | 179.7° | 179.5° |
| C21 | C25 | C16 | C17 | 0.4° | 0.6° |
| C25 | C21 | C19 | F20 | 179.4° | 180.0° |
| C25 | C21 | C19 | C18 | 0.1° | 0.5° |
| C25 | C21 | C22 | H5 | 136.2° | 140.1° |
| C25 | C21 | C22 | H6 | 18.1° | 20.1° |
| C16 | C25 | C21 | C19 | 0.4° | 0.8° |
| C25 | C16 | C15 | N14 | 51.1° | 90.0° |
| C25 | C16 | C15 | C17 | 179.9° | 179.9° |
| C25 | C16 | C17 | C18 | 0.2° | 0.1° |
| C25 | C16 | C15 | H2 | 171.3° | 30.0° |
| C25 | C16 | C15 | H3 | 69.1° | 150.0° |
| C25 | C16 | C17 | H4 | 179.8° | 179.7° |
| C21 | C19 | F20 | C18 | 179.6° | 179.5° |
| C21 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C21 | C22 | H5 | 43.3° | 40.0° |
| C19 | C21 | C22 | H6 | 161.5° | 160.0° |
| C21 | C19 | C18 | H15 | 179.9° | 180.0° |
| C19 | C21 | C25 | H17 | 179.6° | 180.0° |
| N14 | C15 | C16 | H2 | 120.2° | 120.0° |
| N14 | C15 | C16 | H3 | 120.2° | 120.0° |
| N14 | C15 | C16 | C17 | 128.9° | 89.9° |
| N14 | C15 | H2 | H3 | 119.4° | 120.0° |
| C31 | O32 | P33 | O36 | 175.4° | 55.0° |
| O32 | C31 | C30 | C29 | 178.2° | 180.0° |
| C31 | O32 | P33 | O35 | 55.0° | 65.0° |
| C31 | O32 | P33 | O34 | 62.2° | 175.0° |
| O32 | C31 | C30 | H21 | 1.8° | 0.0° |
| O32 | C31 | C37 | H22 | 1.8° | 0.3° |
| C31 | C30 | C29 | C28 | 0.8° | 0.0° |
| C30 | C31 | O32 | P33 | 60.3° | 90.0° |
| C31 | C30 | C29 | H21 | 180.0° | 179.9° |
| C31 | C30 | C29 | H20 | 179.2° | 180.0° |
| C30 | C31 | C37 | H22 | 179.9° | 179.8° |
| C27 | C28 | C29 | C30 | 180.0° | 180.0° |
| C28 | C27 | C12 | H14 | 32.8° | 55.0° |
| C28 | C27 | H18 | H19 | 120.4° | 120.0° |
| C27 | C28 | C29 | H20 | 0.0° | 0.1° |
| C27 | C28 | C38 | H23 | 0.2° | 0.3° |
| C28 | C29 | C30 | H20 | 180.0° | 180.0° |
| C29 | C28 | C27 | H18 | 132.7° | 150.0° |
| C29 | C28 | C27 | H19 | 12.4° | 30.0° |
| C28 | C29 | C30 | H21 | 179.2° | 179.9° |
| C29 | C28 | C38 | H23 | 178.7° | 180.0° |
| O32 | P33 | O36 | O35 | 117.3° | 120.0° |
| O32 | P33 | O36 | O34 | 122.1° | 120.0° |
| O32 | P33 | O35 | O34 | 120.5° | 120.0° |
| O32 | P33 | O34 | H26 | 118.5° | 180.0° |
| O32 | P33 | O35 | H27 | 116.0° | 60.0° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C16 | C15 | H2 | H3 | 119.4° | 120.0° |
| C15 | C16 | C17 | H4 | 0.1° | 0.2° |
| C15 | C16 | C25 | H17 | 0.3° | 0.3° |
| C16 | C15 | N14 | H25 | 9.2° | 0.1° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C16 | C17 | C18 | H4 | 180.0° | 179.8° |
| C17 | C16 | C15 | H2 | 8.7° | 150.1° |
| C17 | C16 | C15 | H3 | 110.9° | 30.1° |
| C16 | C17 | C18 | H15 | 180.0° | 179.8° |
| C17 | C16 | C25 | H17 | 179.6° | 179.8° |
| O36 | P33 | O35 | O34 | 123.6° | 120.0° |
| O36 | P33 | O34 | H26 | 0.0° | 60.0° |
| O36 | P33 | O35 | H27 | 0.0° | 180.0° |
| F20 | C19 | C18 | C17 | 179.7° | 179.5° |
| F20 | C19 | C18 | H15 | 0.4° | 0.5° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | H4 | 180.0° | 180.0° |
| O35 | P33 | O34 | H26 | 123.7° | 60.0° |
| O34 | P33 | O35 | H27 | 123.6° | 60.0° |
| H1 | C10 | C09 | H13 | 0.4° | 0.4° |
| H2 | C15 | N14 | H25 | 111.0° | 119.9° |
| H3 | C15 | N14 | H25 | 129.3° | 120.1° |
| H4 | C17 | C18 | H15 | 0.0° | 0.0° |
| H5 | C22 | C23 | H16 | 152.8° | 175.0° |
| H6 | C22 | C23 | H16 | 89.2° | 65.1° |
| H7 | C24 | C23 | H16 | 180.0° | 180.0° |
| H8 | C24 | C23 | H16 | 0.0° | 0.0° |
| H11 | C05 | C06 | H12 | 0.2° | 0.0° |
| H14 | C12 | C27 | H18 | 152.7° | 65.0° |
| H14 | C12 | C27 | H19 | 87.1° | 175.0° |
| H14 | C12 | N11 | H24 | 169.1° | 0.0° |
| H20 | C29 | C30 | H21 | 0.8° | 0.0° |
| H22 | C37 | C38 | H23 | 0.5° | 0.5° |
