1J4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| O7 | C6 | doub | 1.22Å | 1.21Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.47Å | 1.51Å | |
| C6 | N8 | sing | 1.35Å | 1.34Å | |
| C5 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | N20 | sing | 1.39Å | 1.36Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.39Å | 1.36Å | |
| C9 | N8 | sing | 1.47Å | 1.47Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F17 | sing | 1.35Å | 1.35Å | |
| N22 | C21 | doub | 1.32Å | 1.35Å | Aromatic |
| N22 | C23 | sing | 1.33Å | 1.33Å | Aromatic |
| C21 | N40 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | N12 | sing | 1.47Å | 1.48Å | |
| C11 | N12 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| N40 | C39 | doub | 1.33Å | 1.35Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| C24 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.40Å | 1.42Å | |
| C26 | N25 | sing | 1.47Å | 1.47Å | |
| C39 | N33 | sing | 1.38Å | 1.42Å | |
| N25 | C27 | sing | 1.35Å | 1.35Å | |
| C34 | N33 | sing | 1.47Å | 1.50Å | |
| C34 | C38 | sing | 1.54Å | 1.54Å | |
| C34 | C35 | sing | 1.55Å | 1.53Å | |
| N33 | C32 | sing | 1.47Å | 1.47Å | |
| C38 | C37 | sing | 1.54Å | 1.52Å | |
| C35 | C36 | sing | 1.55Å | 1.52Å | |
| C27 | O28 | doub | 1.21Å | 1.23Å | |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| C32 | C29 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.54Å | 1.52Å | |
| C29 | F31 | sing | 1.40Å | 1.32Å | |
| C29 | F30 | sing | 1.40Å | 1.32Å | |
| N8 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 123.1° | 117.0° |
| O2 | C1 | H16 | 109.5° | 109.5° |
| O2 | C1 | H17 | 109.5° | 109.4° |
| O2 | C1 | H18 | 109.5° | 109.5° |
| O2 | C3 | C4 | 121.0° | 120.0° |
| O2 | C3 | C19 | 118.5° | 120.0° |
| O7 | C6 | C5 | 118.6° | 120.0° |
| O7 | C6 | N8 | 121.7° | 120.0° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C4 | C3 | C19 | 120.5° | 120.0° |
| C3 | C4 | H15 | 119.7° | 120.0° |
| C4 | C5 | C6 | 118.7° | 120.1° |
| C4 | C5 | C16 | 118.7° | 119.9° |
| C5 | C4 | H15 | 119.7° | 120.1° |
| C3 | C19 | N20 | 116.8° | 119.9° |
| C3 | C19 | C18 | 118.7° | 120.2° |
| C5 | C6 | N8 | 119.7° | 120.0° |
| C6 | C5 | C16 | 122.6° | 120.1° |
| C6 | N8 | C9 | 125.3° | 120.0° |
| C6 | N8 | H1 | 117.3° | 120.0° |
| C5 | C16 | C18 | 120.3° | 119.9° |
| C5 | C16 | F17 | 122.3° | 120.0° |
| N20 | C19 | C18 | 124.5° | 119.9° |
| C19 | N20 | C21 | 127.5° | 120.0° |
| C19 | N20 | H20 | 116.3° | 120.0° |
| C19 | C18 | C16 | 121.2° | 120.1° |
| C19 | C18 | H19 | 119.4° | 119.9° |
| N20 | C21 | N22 | 116.9° | 118.9° |
| N20 | C21 | N40 | 123.8° | 119.0° |
| C21 | N20 | H20 | 116.2° | 120.0° |
| N8 | C9 | C15 | 107.9° | 109.5° |
| N8 | C9 | C10 | 107.2° | 109.5° |
| C9 | N8 | H1 | 117.4° | 120.0° |
| N8 | C9 | H2 | 111.8° | 109.5° |
| C15 | C9 | C10 | 108.2° | 109.2° |
| C9 | C15 | C14 | 110.0° | 109.3° |
| C15 | C9 | H2 | 110.8° | 109.5° |
| C9 | C15 | H13 | 109.4° | 109.5° |
| C9 | C15 | H14 | 109.3° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.3° |
| C10 | C9 | H2 | 110.8° | 109.5° |
| C9 | C10 | H3 | 108.8° | 109.5° |
| C9 | C10 | H4 | 108.8° | 109.5° |
| C18 | C16 | F17 | 117.4° | 120.1° |
| C16 | C18 | H19 | 119.4° | 119.9° |
| C21 | N22 | C23 | 121.8° | 121.0° |
| N22 | C21 | N40 | 119.3° | 122.1° |
| N22 | C23 | C24 | 120.3° | 118.8° |
| N22 | C23 | H21 | 119.9° | 120.7° |
| C21 | N40 | C39 | 121.6° | 120.4° |
| C15 | C14 | N12 | 111.0° | 109.5° |
| C15 | C14 | H11 | 109.1° | 109.5° |
| C15 | C14 | H12 | 109.1° | 109.4° |
| C14 | C15 | H13 | 109.4° | 109.5° |
| C14 | C15 | H14 | 109.3° | 109.5° |
| C10 | C11 | N12 | 111.4° | 109.5° |
| C11 | C10 | H3 | 108.8° | 109.5° |
| C11 | C10 | H4 | 108.8° | 109.5° |
| C10 | C11 | H5 | 109.0° | 109.4° |
| C10 | C11 | H6 | 109.0° | 109.5° |
| C14 | N12 | C11 | 110.6° | 111.2° |
| C14 | N12 | C13 | 109.9° | 111.0° |
| N12 | C14 | H11 | 109.1° | 109.5° |
| N12 | C14 | H12 | 109.1° | 109.4° |
| C11 | N12 | C13 | 109.7° | 111.0° |
| N12 | C11 | H5 | 109.0° | 109.5° |
| N12 | C11 | H6 | 109.0° | 109.5° |
| C23 | C24 | C39 | 118.0° | 118.9° |
| C23 | C24 | N25 | 118.2° | 121.4° |
| C24 | C23 | H21 | 119.8° | 120.5° |
| N40 | C39 | C24 | 118.9° | 118.9° |
| N40 | C39 | N33 | 120.6° | 121.2° |
| N12 | C13 | H8 | 109.5° | 109.5° |
| N12 | C13 | H9 | 109.5° | 109.5° |
| N12 | C13 | H10 | 109.5° | 109.4° |
| C39 | C24 | N25 | 123.6° | 119.7° |
| C24 | C39 | N33 | 120.4° | 119.9° |
| C24 | N25 | C26 | 113.7° | 120.9° |
| C24 | N25 | C27 | 127.3° | 118.2° |
| C26 | N25 | C27 | 118.8° | 120.9° |
| N25 | C26 | H22 | 109.5° | 109.4° |
| N25 | C26 | H23 | 109.4° | 109.5° |
| N25 | C26 | H24 | 109.5° | 109.4° |
| C39 | N33 | C34 | 114.9° | 111.0° |
| C39 | N33 | C32 | 107.9° | 112.4° |
| N25 | C27 | O28 | 118.5° | 120.3° |
| N25 | C27 | C29 | 125.9° | 119.4° |
| N33 | C34 | C38 | 116.3° | 110.5° |
| N33 | C34 | C35 | 110.6° | 110.5° |
| C34 | N33 | C32 | 111.6° | 111.0° |
| N33 | C34 | H27 | 108.1° | 110.5° |
| C38 | C34 | C35 | 106.1° | 104.2° |
| C34 | C38 | C37 | 108.5° | 106.6° |
| C38 | C34 | H27 | 107.7° | 110.5° |
| C34 | C38 | H34 | 109.7° | 110.0° |
| C34 | C38 | H35 | 109.7° | 110.0° |
| C34 | C35 | C36 | 108.8° | 102.8° |
| C35 | C34 | H27 | 107.7° | 110.6° |
| C34 | C35 | H28 | 109.7° | 110.7° |
| C34 | C35 | H29 | 109.6° | 110.8° |
| N33 | C32 | C29 | 115.3° | 110.5° |
| N33 | C32 | H25 | 108.0° | 109.3° |
| N33 | C32 | H26 | 108.0° | 109.3° |
| C38 | C37 | C36 | 107.6° | 106.6° |
| C38 | C37 | H32 | 110.0° | 110.0° |
| C38 | C37 | H33 | 109.9° | 110.1° |
| C37 | C38 | H34 | 109.7° | 110.0° |
| C37 | C38 | H35 | 109.7° | 110.1° |
| C35 | C36 | C37 | 107.1° | 104.2° |
| C36 | C35 | H28 | 109.6° | 110.8° |
| C36 | C35 | H29 | 109.7° | 110.8° |
| C35 | C36 | H30 | 110.1° | 110.5° |
| C35 | C36 | H31 | 110.1° | 110.5° |
| O28 | C27 | C29 | 115.6° | 120.3° |
| C27 | C29 | C32 | 118.6° | 110.5° |
| C27 | C29 | F31 | 108.4° | 109.2° |
| C27 | C29 | F30 | 106.6° | 109.3° |
| C32 | C29 | F31 | 106.0° | 109.3° |
| C32 | C29 | F30 | 108.0° | 109.3° |
| C29 | C32 | H25 | 108.0° | 109.3° |
| C29 | C32 | H26 | 108.0° | 109.2° |
| C37 | C36 | H30 | 110.0° | 110.5° |
| C37 | C36 | H31 | 110.1° | 110.6° |
| C36 | C37 | H32 | 109.9° | 110.0° |
| C36 | C37 | H33 | 110.0° | 110.0° |
| F31 | C29 | F30 | 109.0° | 109.3° |
| H3 | C10 | H4 | 109.5° | 109.6° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H10 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.4° | 109.2° |
| H28 | C35 | H29 | 109.5° | 110.8° |
| H30 | C36 | H31 | 109.4° | 110.4° |
| H32 | C37 | H33 | 109.5° | 110.1° |
| H34 | C38 | H35 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 45.3° | 0.0° |
| C1 | O2 | C3 | C19 | 135.2° | 179.9° |
| O2 | C1 | H16 | H17 | 120.0° | 119.9° |
| O2 | C1 | H16 | H18 | 120.0° | 120.0° |
| O2 | C1 | H17 | H18 | 120.0° | 120.0° |
| O2 | C3 | C4 | C19 | 179.5° | 180.0° |
| O2 | C3 | C4 | C5 | 179.9° | 180.0° |
| O2 | C3 | C19 | N20 | 2.8° | 0.0° |
| O2 | C3 | C19 | C18 | 179.9° | 179.8° |
| O2 | C3 | C4 | H15 | 0.1° | 0.0° |
| C3 | O2 | C1 | H16 | 180.0° | 180.0° |
| C3 | O2 | C1 | H17 | 60.0° | 60.0° |
| C3 | O2 | C1 | H18 | 60.0° | 59.9° |
| O7 | C6 | C5 | C4 | 51.9° | 179.7° |
| O7 | C6 | C5 | N8 | 178.6° | 179.7° |
| O7 | C6 | C5 | C16 | 128.2° | 0.0° |
| O7 | C6 | N8 | C9 | 1.6° | 0.0° |
| O7 | C6 | N8 | H1 | 178.4° | 180.0° |
| C3 | C4 | C5 | H15 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.3° | 180.0° |
| C3 | C4 | C5 | C16 | 0.6° | 0.3° |
| C4 | C3 | C19 | N20 | 177.8° | 180.0° |
| C4 | C3 | C19 | C18 | 0.4° | 0.2° |
| C5 | C4 | C3 | C19 | 0.6° | 0.1° |
| C4 | C5 | C6 | C16 | 179.9° | 179.7° |
| C4 | C5 | C6 | N8 | 126.7° | 0.0° |
| C4 | C5 | C16 | C18 | 0.4° | 0.3° |
| C4 | C5 | C16 | F17 | 179.7° | 179.7° |
| C3 | C19 | N20 | C18 | 177.2° | 179.8° |
| C3 | C19 | N20 | C21 | 170.0° | 155.2° |
| C3 | C19 | C18 | C16 | 0.2° | 0.2° |
| C19 | C3 | C4 | H15 | 179.4° | 180.0° |
| C3 | C19 | C18 | H19 | 179.8° | 179.7° |
| C3 | C19 | N20 | H20 | 10.1° | 24.8° |
| C5 | C6 | N8 | C9 | 179.8° | 179.8° |
| C6 | C5 | C16 | C18 | 179.5° | 180.0° |
| C6 | C5 | C16 | F17 | 0.4° | 0.0° |
| C5 | C6 | N8 | H1 | 0.1° | 0.3° |
| C6 | C5 | C4 | H15 | 0.7° | 0.0° |
| N8 | C6 | C5 | C16 | 53.2° | 179.7° |
| C6 | N8 | C9 | H1 | 180.0° | 179.9° |
| C6 | N8 | C9 | C15 | 130.8° | 155.0° |
| C6 | N8 | C9 | C10 | 112.9° | 85.3° |
| C6 | N8 | C9 | H2 | 8.7° | 34.8° |
| C5 | C16 | C18 | C19 | 0.2° | 0.0° |
| C5 | C16 | C18 | F17 | 179.9° | 180.0° |
| C16 | C5 | C4 | H15 | 179.4° | 179.7° |
| C5 | C16 | C18 | H19 | 179.9° | 180.0° |
| C19 | N20 | C21 | H20 | 180.0° | 180.0° |
| N20 | C19 | C18 | C16 | 177.3° | 180.0° |
| C19 | N20 | C21 | N22 | 178.7° | 6.3° |
| C19 | N20 | C21 | N40 | 0.8° | 174.0° |
| N20 | C19 | C18 | H19 | 2.7° | 0.1° |
| C18 | C19 | N20 | C21 | 7.2° | 25.0° |
| C19 | C18 | C16 | H19 | 180.0° | 179.9° |
| C19 | C18 | C16 | F17 | 179.9° | 180.0° |
| C18 | C19 | N20 | H20 | 172.8° | 155.0° |
| N20 | C21 | N22 | N40 | 179.5° | 179.7° |
| N20 | C21 | N22 | C23 | 178.8° | 179.6° |
| N20 | C21 | N40 | C39 | 178.2° | 179.8° |
| N8 | C9 | C15 | C10 | 115.7° | 119.9° |
| N8 | C9 | C15 | H2 | 122.7° | 120.1° |
| N8 | C9 | C10 | H2 | 122.2° | 120.1° |
| N8 | C9 | C15 | C14 | 172.6° | 177.5° |
| N8 | C9 | C10 | C11 | 171.2° | 177.5° |
| N8 | C9 | C10 | H3 | 68.4° | 62.5° |
| N8 | C9 | C10 | H4 | 50.8° | 57.6° |
| N8 | C9 | C15 | H13 | 52.5° | 57.6° |
| N8 | C9 | C15 | H14 | 67.3° | 62.5° |
| C15 | C9 | C10 | H2 | 121.7° | 120.0° |
| C9 | C15 | C14 | H13 | 120.1° | 119.9° |
| C9 | C15 | C14 | H14 | 120.1° | 120.0° |
| C15 | C9 | C10 | C11 | 55.1° | 57.6° |
| C9 | C15 | C14 | N12 | 60.3° | 59.2° |
| C15 | C9 | N8 | H1 | 49.2° | 25.0° |
| C15 | C9 | C10 | H3 | 175.5° | 177.6° |
| C15 | C9 | C10 | H4 | 65.3° | 62.3° |
| C9 | C15 | C14 | H11 | 179.5° | 60.9° |
| C9 | C15 | C14 | H12 | 59.9° | 179.2° |
| C9 | C15 | H13 | H14 | 119.8° | 120.1° |
| C10 | C9 | C15 | C14 | 57.0° | 57.6° |
| C9 | C10 | C11 | H3 | 120.4° | 120.0° |
| C9 | C10 | C11 | H4 | 120.4° | 119.9° |
| C9 | C10 | C11 | N12 | 55.5° | 59.1° |
| C10 | C9 | N8 | H1 | 67.1° | 94.7° |
| C9 | C10 | H3 | H4 | 118.8° | 120.1° |
| C9 | C10 | C11 | H5 | 64.8° | 60.8° |
| C9 | C10 | C11 | H6 | 175.8° | 179.2° |
| C10 | C9 | C15 | H13 | 63.1° | 62.3° |
| C10 | C9 | C15 | H14 | 177.0° | 177.6° |
| F17 | C16 | C18 | H19 | 0.1° | 0.0° |
| C21 | N22 | C23 | C24 | 1.2° | 0.1° |
| N22 | C21 | N40 | C39 | 1.3° | 0.5° |
| N22 | C21 | N20 | H20 | 1.2° | 173.7° |
| C21 | N22 | C23 | H21 | 178.8° | 179.9° |
| C23 | N22 | C21 | N40 | 0.7° | 0.6° |
| N22 | C23 | C24 | H21 | 180.0° | 180.0° |
| N22 | C23 | C24 | C39 | 2.2° | 0.6° |
| N22 | C23 | C24 | N25 | 176.7° | 178.5° |
| C21 | N40 | C39 | C24 | 2.4° | 0.1° |
| C21 | N40 | C39 | N33 | 179.9° | 178.5° |
| N40 | C21 | N20 | H20 | 179.3° | 6.0° |
| C15 | C14 | N12 | H11 | 120.2° | 120.1° |
| C15 | C14 | N12 | H12 | 120.2° | 120.0° |
| C15 | C14 | N12 | C11 | 59.3° | 61.8° |
| C15 | C14 | N12 | C13 | 179.5° | 174.1° |
| C14 | C15 | C9 | H2 | 64.7° | 62.3° |
| C15 | C14 | H11 | H12 | 119.3° | 120.0° |
| C14 | C15 | H13 | H14 | 119.8° | 120.1° |
| C10 | C11 | N12 | C14 | 56.4° | 61.8° |
| C10 | C11 | N12 | H5 | 120.3° | 120.0° |
| C10 | C11 | N12 | H6 | 120.3° | 120.0° |
| C10 | C11 | N12 | C13 | 177.9° | 174.2° |
| C11 | C10 | C9 | H2 | 66.6° | 62.3° |
| C11 | C10 | H3 | H4 | 118.8° | 120.1° |
| C10 | C11 | H5 | H6 | 119.1° | 120.0° |
| C14 | N12 | C11 | C13 | 121.4° | 124.1° |
| C14 | N12 | C11 | H5 | 63.9° | 58.2° |
| C14 | N12 | C11 | H6 | 176.7° | 178.2° |
| C14 | N12 | C13 | H8 | 180.0° | 175.9° |
| C14 | N12 | C13 | H9 | 60.0° | 55.8° |
| C14 | N12 | C13 | H10 | 60.0° | 64.2° |
| N12 | C14 | H11 | H12 | 119.3° | 119.9° |
| N12 | C14 | C15 | H13 | 59.8° | 60.7° |
| N12 | C14 | C15 | H14 | 179.6° | 179.2° |
| N12 | C11 | C10 | H3 | 175.9° | 179.1° |
| N12 | C11 | C10 | H4 | 64.9° | 60.7° |
| N12 | C11 | H5 | H6 | 119.1° | 120.0° |
| C11 | N12 | C13 | H8 | 58.2° | 60.0° |
| C11 | N12 | C13 | H9 | 178.2° | 180.0° |
| C11 | N12 | C13 | H10 | 61.8° | 60.0° |
| C11 | N12 | C14 | H11 | 179.5° | 58.3° |
| C11 | N12 | C14 | H12 | 61.0° | 178.3° |
| C23 | C24 | C39 | N40 | 2.7° | 0.7° |
| C23 | C24 | C39 | N25 | 174.2° | 179.1° |
| C23 | C24 | N25 | C26 | 37.3° | 49.4° |
| C23 | C24 | C39 | N33 | 179.7° | 178.0° |
| C23 | C24 | N25 | C27 | 147.3° | 130.6° |
| N40 | C39 | C24 | N33 | 177.6° | 178.7° |
| N40 | C39 | C24 | N25 | 176.9° | 178.5° |
| N40 | C39 | N33 | C34 | 15.2° | 131.7° |
| N40 | C39 | N33 | C32 | 110.0° | 103.3° |
| C13 | N12 | C11 | H5 | 57.6° | 65.8° |
| C13 | N12 | C11 | H6 | 61.8° | 54.1° |
| N12 | C13 | H8 | H9 | 120.0° | 120.0° |
| N12 | C13 | H8 | H10 | 120.0° | 119.9° |
| N12 | C13 | H9 | H10 | 120.0° | 120.0° |
| C13 | N12 | C14 | H11 | 59.2° | 65.8° |
| C13 | N12 | C14 | H12 | 60.3° | 54.2° |
| C39 | C24 | N25 | C26 | 136.9° | 131.5° |
| C39 | C24 | N25 | C27 | 38.5° | 48.5° |
| C24 | C39 | N33 | C34 | 167.3° | 46.9° |
| C24 | C39 | N33 | C32 | 67.6° | 78.1° |
| C39 | C24 | C23 | H21 | 177.8° | 179.4° |
| C24 | N25 | C26 | C27 | 175.8° | 180.0° |
| N25 | C24 | C39 | N33 | 5.5° | 2.9° |
| C24 | N25 | C27 | O28 | 177.9° | 176.6° |
| C24 | N25 | C27 | C29 | 4.6° | 3.5° |
| N25 | C24 | C23 | H21 | 3.3° | 1.5° |
| C24 | N25 | C26 | H22 | 180.0° | 95.0° |
| C24 | N25 | C26 | H23 | 60.0° | 145.0° |
| C24 | N25 | C26 | H24 | 60.0° | 25.0° |
| C26 | N25 | C27 | O28 | 2.8° | 3.4° |
| C26 | N25 | C27 | C29 | 179.7° | 176.5° |
| N25 | C26 | H22 | H23 | 120.0° | 120.0° |
| N25 | C26 | H22 | H24 | 120.0° | 119.9° |
| N25 | C26 | H23 | H24 | 120.0° | 120.0° |
| C39 | N33 | C34 | C32 | 123.2° | 125.8° |
| C39 | N33 | C34 | C38 | 82.9° | 174.6° |
| C39 | N33 | C34 | C35 | 156.0° | 59.9° |
| C39 | N33 | C32 | C29 | 83.4° | 44.2° |
| C39 | N33 | C32 | H25 | 37.5° | 164.5° |
| C39 | N33 | C32 | H26 | 155.8° | 76.0° |
| C39 | N33 | C34 | H27 | 38.2° | 62.8° |
| N25 | C27 | O28 | C29 | 177.8° | 179.9° |
| N25 | C27 | C29 | C32 | 28.2° | 76.1° |
| N25 | C27 | C29 | F31 | 92.6° | 163.7° |
| N25 | C27 | C29 | F30 | 150.2° | 44.2° |
| C27 | N25 | C26 | H22 | 4.2° | 84.9° |
| C27 | N25 | C26 | H23 | 115.8° | 35.1° |
| C27 | N25 | C26 | H24 | 124.2° | 155.1° |
| N33 | C34 | C38 | C35 | 123.4° | 118.7° |
| N33 | C34 | C38 | H27 | 121.4° | 122.6° |
| N33 | C34 | C35 | H27 | 118.0° | 122.6° |
| N33 | C34 | C38 | C37 | 122.4° | 142.3° |
| N33 | C34 | C35 | C36 | 134.6° | 156.6° |
| C34 | N33 | C32 | C29 | 149.6° | 80.8° |
| C34 | N33 | C32 | H25 | 89.6° | 39.5° |
| C34 | N33 | C32 | H26 | 28.7° | 159.0° |
| N33 | C34 | C35 | H28 | 105.5° | 85.1° |
| N33 | C34 | C35 | H29 | 14.7° | 38.3° |
| N33 | C34 | C38 | H34 | 2.6° | 23.0° |
| N33 | C34 | C38 | H35 | 117.8° | 98.4° |
| C38 | C34 | C35 | H27 | 115.1° | 118.7° |
| C38 | C34 | N33 | C32 | 40.2° | 59.6° |
| C34 | C38 | C37 | H34 | 119.9° | 119.3° |
| C34 | C38 | C37 | H35 | 119.8° | 119.3° |
| C38 | C34 | C35 | C36 | 7.7° | 37.9° |
| C34 | C38 | C37 | C36 | 9.3° | 0.0° |
| C38 | C34 | C35 | H28 | 127.6° | 156.3° |
| C38 | C34 | C35 | H29 | 112.2° | 80.4° |
| C34 | C38 | C37 | H32 | 110.4° | 119.2° |
| C34 | C38 | C37 | H33 | 129.0° | 119.3° |
| C34 | C38 | H34 | H35 | 120.4° | 121.4° |
| C35 | C34 | N33 | C32 | 80.8° | 174.3° |
| C35 | C34 | C38 | C37 | 1.0° | 23.6° |
| C34 | C35 | C36 | H28 | 119.9° | 118.3° |
| C34 | C35 | C36 | H29 | 119.9° | 118.4° |
| C34 | C35 | C36 | C37 | 13.5° | 38.0° |
| C34 | C35 | H28 | H29 | 120.3° | 123.3° |
| C34 | C35 | C36 | H30 | 106.1° | 80.7° |
| C34 | C35 | C36 | H31 | 133.2° | 156.8° |
| C35 | C34 | C38 | H34 | 120.9° | 95.7° |
| C35 | C34 | C38 | H35 | 118.8° | 142.9° |
| N33 | C32 | C29 | C27 | 22.3° | 44.0° |
| N33 | C32 | C29 | H25 | 120.9° | 120.3° |
| N33 | C32 | C29 | H26 | 120.9° | 120.3° |
| N33 | C32 | C29 | F31 | 144.3° | 164.2° |
| N33 | C32 | C29 | F30 | 98.9° | 76.3° |
| N33 | C32 | H25 | H26 | 117.3° | 119.5° |
| C32 | N33 | C34 | H27 | 161.4° | 63.0° |
| C38 | C37 | C36 | C35 | 14.0° | 23.6° |
| C38 | C37 | C36 | H32 | 119.7° | 119.2° |
| C38 | C37 | C36 | H33 | 119.7° | 119.3° |
| C37 | C38 | C34 | H27 | 116.2° | 95.2° |
| C38 | C37 | C36 | H30 | 105.7° | 95.1° |
| C38 | C37 | C36 | H31 | 133.6° | 142.4° |
| C38 | C37 | H32 | H33 | 120.9° | 121.5° |
| C37 | C38 | H34 | H35 | 120.4° | 121.4° |
| C35 | C36 | C37 | H30 | 119.7° | 118.7° |
| C35 | C36 | C37 | H31 | 119.6° | 118.8° |
| C36 | C35 | C34 | H27 | 107.4° | 80.7° |
| C36 | C35 | H28 | H29 | 120.3° | 123.4° |
| C35 | C36 | H30 | H31 | 121.1° | 122.6° |
| C35 | C36 | C37 | H32 | 105.8° | 142.9° |
| C35 | C36 | C37 | H33 | 133.7° | 95.7° |
| O28 | C27 | C29 | C32 | 154.2° | 104.0° |
| O28 | C27 | C29 | F31 | 85.0° | 16.2° |
| O28 | C27 | C29 | F30 | 32.2° | 135.7° |
| C27 | C29 | C32 | F31 | 122.0° | 120.2° |
| C27 | C29 | C32 | F30 | 121.3° | 120.2° |
| C27 | C29 | F31 | F30 | 115.6° | 119.5° |
| C27 | C29 | C32 | H25 | 98.6° | 76.3° |
| C27 | C29 | C32 | H26 | 143.2° | 164.2° |
| C32 | C29 | F31 | F30 | 116.1° | 119.5° |
| C29 | C32 | H25 | H26 | 117.3° | 119.4° |
| C37 | C36 | C35 | H28 | 133.4° | 156.2° |
| C37 | C36 | C35 | H29 | 106.4° | 80.4° |
| C37 | C36 | H30 | H31 | 121.1° | 122.6° |
| C36 | C37 | H32 | H33 | 120.9° | 121.4° |
| C36 | C37 | C38 | H34 | 129.2° | 119.3° |
| C36 | C37 | C38 | H35 | 110.5° | 119.3° |
| F31 | C29 | C32 | H25 | 23.4° | 43.9° |
| F31 | C29 | C32 | H26 | 94.8° | 75.5° |
| F30 | C29 | C32 | H25 | 140.2° | 163.4° |
| F30 | C29 | C32 | H26 | 21.9° | 44.0° |
| H1 | N8 | C9 | H2 | 171.3° | 145.1° |
| H2 | C9 | C10 | H3 | 53.8° | 57.6° |
| H2 | C9 | C10 | H4 | 173.0° | 177.8° |
| H2 | C9 | C15 | H13 | 175.2° | 177.8° |
| H2 | C9 | C15 | H14 | 55.4° | 57.6° |
| H3 | C10 | C11 | H5 | 55.6° | 59.1° |
| H3 | C10 | C11 | H6 | 63.8° | 60.9° |
| H4 | C10 | C11 | H5 | 174.8° | 179.3° |
| H4 | C10 | C11 | H6 | 55.5° | 59.3° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | C14 | C15 | H13 | 60.4° | 179.2° |
| H11 | C14 | C15 | H14 | 59.4° | 59.1° |
| H12 | C14 | C15 | H13 | 180.0° | 59.2° |
| H12 | C14 | C15 | H14 | 60.1° | 60.9° |
| H16 | C1 | H17 | H18 | 120.0° | 120.1° |
| H22 | C26 | H23 | H24 | 120.0° | 120.1° |
| H27 | C34 | C35 | H28 | 12.5° | 37.6° |
| H27 | C34 | C35 | H29 | 132.7° | 160.9° |
| H27 | C34 | C38 | H34 | 124.0° | 145.5° |
| H27 | C34 | C38 | H35 | 3.7° | 24.2° |
| H28 | C35 | C36 | H30 | 13.8° | 37.5° |
| H28 | C35 | C36 | H31 | 106.9° | 85.0° |
| H29 | C35 | C36 | H30 | 134.0° | 160.9° |
| H29 | C35 | C36 | H31 | 13.3° | 38.4° |
| H30 | C36 | C37 | H32 | 134.6° | 24.2° |
| H30 | C36 | C37 | H33 | 14.0° | 145.6° |
| H31 | C36 | C37 | H32 | 13.9° | 98.4° |
| H31 | C36 | C37 | H33 | 106.7° | 23.1° |
| H32 | C37 | C38 | H34 | 9.5° | 121.5° |
| H32 | C37 | C38 | H35 | 129.8° | 0.1° |
| H33 | C37 | C38 | H34 | 111.1° | 0.0° |
| H33 | C37 | C38 | H35 | 9.2° | 121.4° |
