KHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C6 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | N10 | sing | 1.47Å | 1.47Å | |
| C19 | N7 | sing | 1.47Å | 1.46Å | |
| F17 | C14 | sing | 1.40Å | 1.33Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C11 | sing | 1.51Å | 1.53Å | |
| N7 | C6 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | sing | 1.47Å | 1.50Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C14 | F15 | sing | 1.40Å | 1.33Å | |
| C14 | F16 | sing | 1.40Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.33Å | |
| N10 | C9 | sing | 1.47Å | 1.44Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C5 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | N2 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C21 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | N22 | sing | 1.39Å | 1.31Å | |
| N22 | C23 | sing | 1.38Å | 1.30Å | |
| N40 | C23 | doub | 1.31Å | 1.32Å | Aromatic |
| N40 | C26 | sing | 1.36Å | 1.33Å | Aromatic |
| C23 | N24 | sing | 1.37Å | 1.32Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C37 | C35 | sing | 1.53Å | 1.52Å | |
| N24 | C25 | sing | 1.39Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | doub | 1.36Å | 1.33Å | Aromatic |
| C32 | N33 | sing | 1.35Å | 1.33Å | Aromatic |
| C28 | C31 | sing | 1.48Å | 1.37Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | N33 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C39 | sing | 1.41Å | 1.32Å | Aromatic |
| N33 | N38 | sing | 1.40Å | 1.23Å | Aromatic |
| C39 | N38 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| N22 | H30 | sing | 0.97Å | 1.00Å | |
| N24 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C6 | N7 | 109.0° | 109.5° |
| C20 | C6 | C5 | 109.1° | 109.5° |
| C20 | C6 | H2 | 109.9° | 109.4° |
| C6 | C20 | H14 | 109.5° | 109.5° |
| C6 | C20 | H15 | 109.5° | 109.5° |
| C6 | C20 | H16 | 109.5° | 109.5° |
| C19 | C18 | N10 | 107.3° | 108.5° |
| C18 | C19 | N7 | 101.8° | 109.3° |
| C19 | C18 | H10 | 110.0° | 109.7° |
| C19 | C18 | H11 | 110.0° | 109.7° |
| C18 | C19 | H12 | 111.4° | 109.5° |
| C18 | C19 | H13 | 111.4° | 109.5° |
| C18 | N10 | C11 | 122.3° | 120.9° |
| C18 | N10 | C9 | 112.6° | 118.3° |
| N10 | C18 | H10 | 110.0° | 109.6° |
| N10 | C18 | H11 | 110.0° | 109.6° |
| C19 | N7 | C6 | 120.6° | 111.0° |
| C19 | N7 | C8 | 109.0° | 111.3° |
| N7 | C19 | H12 | 111.3° | 109.5° |
| N7 | C19 | H13 | 111.3° | 109.5° |
| F17 | C14 | C13 | 110.0° | 109.5° |
| F17 | C14 | F15 | 113.3° | 109.5° |
| F17 | C14 | F16 | 109.6° | 109.5° |
| C14 | C13 | C11 | 113.4° | 109.5° |
| C13 | C14 | F15 | 110.9° | 109.5° |
| C13 | C14 | F16 | 107.0° | 109.5° |
| C14 | C13 | H7 | 108.5° | 109.5° |
| C14 | C13 | H8 | 108.5° | 109.5° |
| C13 | C11 | N10 | 119.0° | 120.0° |
| C13 | C11 | O12 | 120.9° | 120.0° |
| C11 | C13 | H7 | 108.5° | 109.4° |
| C11 | C13 | H8 | 108.5° | 109.5° |
| C6 | N7 | C8 | 110.5° | 111.0° |
| N7 | C6 | C5 | 108.5° | 109.5° |
| N7 | C6 | H2 | 110.5° | 109.5° |
| N7 | C8 | C9 | 109.0° | 109.3° |
| N7 | C8 | H3 | 109.6° | 109.4° |
| N7 | C8 | H4 | 109.6° | 109.5° |
| C6 | C5 | C4 | 121.8° | 120.7° |
| C6 | C5 | C21 | 119.2° | 120.7° |
| C5 | C6 | H2 | 109.8° | 109.5° |
| F15 | C14 | F16 | 105.8° | 109.5° |
| C5 | C4 | C3 | 119.3° | 119.3° |
| C4 | C5 | C21 | 119.0° | 118.5° |
| C5 | C4 | H1 | 120.3° | 120.3° |
| C4 | C3 | N2 | 120.5° | 120.8° |
| C3 | C4 | H1 | 120.4° | 120.3° |
| C4 | C3 | H9 | 119.7° | 119.6° |
| C11 | N10 | C9 | 124.5° | 120.9° |
| N10 | C11 | O12 | 120.0° | 120.1° |
| N10 | C9 | C8 | 101.5° | 108.5° |
| N10 | C9 | H5 | 111.4° | 109.7° |
| N10 | C9 | H6 | 111.4° | 109.8° |
| C5 | C21 | C1 | 118.8° | 119.1° |
| C5 | C21 | H17 | 120.6° | 120.5° |
| C3 | N2 | C1 | 120.4° | 121.6° |
| N2 | C3 | H9 | 119.8° | 119.6° |
| C9 | C8 | H3 | 109.6° | 109.5° |
| C9 | C8 | H4 | 109.6° | 109.6° |
| C8 | C9 | H5 | 111.4° | 109.6° |
| C8 | C9 | H6 | 111.4° | 109.6° |
| C21 | C1 | N2 | 122.0° | 120.6° |
| C21 | C1 | N22 | 114.5° | 119.7° |
| C1 | C21 | H17 | 120.6° | 120.4° |
| N2 | C1 | N22 | 123.6° | 119.7° |
| C1 | N22 | C23 | 123.9° | 120.0° |
| C1 | N22 | H30 | 118.0° | 120.0° |
| N22 | C23 | N40 | 128.0° | 125.1° |
| N22 | C23 | N24 | 119.0° | 125.0° |
| C23 | N22 | H30 | 118.1° | 120.0° |
| C23 | N40 | C26 | 105.5° | 109.6° |
| N40 | C23 | N24 | 112.7° | 109.9° |
| N40 | C26 | C27 | 132.5° | 133.3° |
| N40 | C26 | C25 | 107.9° | 107.1° |
| C23 | N24 | C25 | 105.9° | 107.2° |
| C23 | N24 | H31 | 127.0° | 126.4° |
| C37 | C36 | C35 | 59.5° | 60.0° |
| C36 | C37 | C35 | 59.9° | 60.0° |
| C37 | C36 | H25 | 120.1° | 117.5° |
| C37 | C36 | H26 | 120.1° | 117.5° |
| C36 | C37 | H27 | 120.0° | 117.5° |
| C36 | C37 | H28 | 120.0° | 117.5° |
| C36 | C35 | C37 | 60.6° | 60.0° |
| C36 | C35 | C34 | 115.9° | 117.5° |
| C36 | C35 | H24 | 116.8° | 117.5° |
| C35 | C36 | H25 | 120.1° | 117.5° |
| C35 | C36 | H26 | 120.1° | 117.5° |
| C27 | C26 | C25 | 119.6° | 119.6° |
| C26 | C27 | C28 | 118.3° | 119.7° |
| C26 | C27 | H18 | 120.9° | 120.2° |
| C26 | C25 | N24 | 107.8° | 106.2° |
| C26 | C25 | C30 | 122.1° | 120.1° |
| C37 | C35 | C34 | 118.5° | 117.5° |
| C37 | C35 | H24 | 116.9° | 117.5° |
| C35 | C37 | H27 | 120.0° | 117.5° |
| C35 | C37 | H28 | 120.0° | 117.5° |
| N24 | C25 | C30 | 130.1° | 133.7° |
| C25 | N24 | H31 | 127.0° | 126.4° |
| C27 | C28 | C31 | 119.8° | 119.9° |
| C27 | C28 | C29 | 122.1° | 120.2° |
| C28 | C27 | H18 | 120.9° | 120.2° |
| C25 | C30 | C29 | 118.4° | 120.0° |
| C25 | C30 | H20 | 120.8° | 120.0° |
| C35 | C34 | N33 | 114.0° | 109.5° |
| C35 | C34 | H22 | 108.4° | 109.5° |
| C35 | C34 | H23 | 108.4° | 109.5° |
| C34 | C35 | H24 | 116.5° | 115.6° |
| C31 | C32 | N33 | 105.3° | 107.6° |
| C32 | C31 | C28 | 127.1° | 126.2° |
| C32 | C31 | C39 | 108.0° | 107.5° |
| C31 | C32 | H21 | 127.3° | 126.1° |
| C32 | N33 | C34 | 127.5° | 125.9° |
| C32 | N33 | N38 | 110.9° | 108.2° |
| N33 | C32 | H21 | 127.3° | 126.2° |
| C31 | C28 | C29 | 118.1° | 119.9° |
| C28 | C31 | C39 | 124.9° | 126.2° |
| C28 | C29 | C30 | 119.5° | 120.3° |
| C28 | C29 | H19 | 120.2° | 119.8° |
| C34 | N33 | N38 | 121.6° | 125.9° |
| N33 | C34 | H22 | 108.3° | 109.5° |
| N33 | C34 | H23 | 108.3° | 109.4° |
| C30 | C29 | H19 | 120.2° | 119.9° |
| C29 | C30 | H20 | 120.8° | 120.0° |
| C31 | C39 | N38 | 106.6° | 108.2° |
| C31 | C39 | H29 | 126.7° | 125.9° |
| N33 | N38 | C39 | 109.1° | 108.5° |
| N38 | C39 | H29 | 126.7° | 125.9° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.6° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.4° | 109.7° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.4° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 115.5° |
| H27 | C37 | H28 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C6 | N7 | C19 | 46.6° | 60.0° |
| C20 | C6 | N7 | C5 | 118.7° | 120.0° |
| C20 | C6 | N7 | H2 | 120.8° | 120.0° |
| C20 | C6 | N7 | C8 | 175.4° | 175.7° |
| C20 | C6 | C5 | H2 | 120.5° | 119.9° |
| C20 | C6 | C5 | C4 | 25.3° | 80.0° |
| C20 | C6 | C5 | C21 | 155.1° | 100.0° |
| C6 | C20 | H14 | H15 | 120.0° | 120.0° |
| C6 | C20 | H14 | H16 | 120.0° | 120.1° |
| C6 | C20 | H15 | H16 | 120.0° | 120.0° |
| C19 | C18 | N10 | H10 | 119.7° | 119.8° |
| C19 | C18 | N10 | H11 | 119.7° | 119.7° |
| C18 | C19 | N7 | H12 | 118.7° | 119.9° |
| C18 | C19 | N7 | H13 | 118.7° | 119.9° |
| C18 | C19 | N7 | C6 | 157.8° | 172.7° |
| C18 | C19 | N7 | C8 | 72.8° | 63.1° |
| C19 | C18 | N10 | C11 | 154.8° | 128.8° |
| C19 | C18 | N10 | C9 | 16.8° | 51.2° |
| C19 | C18 | H10 | H11 | 121.0° | 120.5° |
| C18 | C19 | H12 | H13 | 123.6° | 120.0° |
| N10 | C18 | C19 | N7 | 54.8° | 53.8° |
| C18 | N10 | C11 | C13 | 0.1° | 180.0° |
| C18 | N10 | C11 | C9 | 170.5° | 180.0° |
| C18 | N10 | C11 | O12 | 174.8° | 0.0° |
| C18 | N10 | C9 | C8 | 71.6° | 51.2° |
| C18 | N10 | C9 | H5 | 47.1° | 68.6° |
| C18 | N10 | C9 | H6 | 169.7° | 171.0° |
| N10 | C18 | H10 | H11 | 121.0° | 120.4° |
| N10 | C18 | C19 | H12 | 173.5° | 173.7° |
| N10 | C18 | C19 | H13 | 63.9° | 66.2° |
| C19 | N7 | C6 | C8 | 128.8° | 124.4° |
| C19 | N7 | C6 | C5 | 165.3° | 180.0° |
| C19 | N7 | C8 | C9 | 17.8° | 63.1° |
| C19 | N7 | C6 | H2 | 74.2° | 60.0° |
| C19 | N7 | C8 | H3 | 137.7° | 56.9° |
| C19 | N7 | C8 | H4 | 102.2° | 176.9° |
| N7 | C19 | C18 | H10 | 174.5° | 173.5° |
| N7 | C19 | C18 | H11 | 64.9° | 65.9° |
| N7 | C19 | H12 | H13 | 123.6° | 120.1° |
| F17 | C14 | C13 | F15 | 126.1° | 120.0° |
| F17 | C14 | C13 | F16 | 119.0° | 120.0° |
| F17 | C14 | C13 | C11 | 169.0° | 60.0° |
| F17 | C14 | F15 | F16 | 120.1° | 120.0° |
| F17 | C14 | C13 | H7 | 48.4° | 60.0° |
| F17 | C14 | C13 | H8 | 70.4° | 180.0° |
| C14 | C13 | C11 | H7 | 120.6° | 120.0° |
| C14 | C13 | C11 | H8 | 120.6° | 120.0° |
| C13 | C14 | F15 | F16 | 115.7° | 120.0° |
| C14 | C13 | C11 | N10 | 158.4° | 180.0° |
| C14 | C13 | C11 | O12 | 27.0° | 0.0° |
| C14 | C13 | H7 | H8 | 118.2° | 120.1° |
| C11 | C13 | C14 | F15 | 64.9° | 60.0° |
| C11 | C13 | C14 | F16 | 50.0° | 180.0° |
| C13 | C11 | N10 | O12 | 174.7° | 180.0° |
| C13 | C11 | N10 | C9 | 170.5° | 0.0° |
| C11 | C13 | H7 | H8 | 118.2° | 120.0° |
| N7 | C6 | C5 | H2 | 120.9° | 120.0° |
| N7 | C6 | C5 | C4 | 93.3° | 40.0° |
| N7 | C6 | C5 | C21 | 86.3° | 140.0° |
| C6 | N7 | C8 | C9 | 152.5° | 172.7° |
| C6 | N7 | C8 | H3 | 87.6° | 67.3° |
| C6 | N7 | C8 | H4 | 32.6° | 52.7° |
| C6 | N7 | C19 | H12 | 39.1° | 52.8° |
| C6 | N7 | C19 | H13 | 83.5° | 67.3° |
| N7 | C6 | C20 | H14 | 180.0° | 180.0° |
| N7 | C6 | C20 | H15 | 60.0° | 60.0° |
| N7 | C6 | C20 | H16 | 60.0° | 60.0° |
| C8 | N7 | C6 | C5 | 65.9° | 55.6° |
| N7 | C8 | C9 | N10 | 51.9° | 53.8° |
| N7 | C8 | C9 | H3 | 119.9° | 119.9° |
| N7 | C8 | C9 | H4 | 119.9° | 120.0° |
| C8 | N7 | C6 | H2 | 54.5° | 64.4° |
| N7 | C8 | H3 | H4 | 120.2° | 120.0° |
| N7 | C8 | C9 | H5 | 66.9° | 66.0° |
| N7 | C8 | C9 | H6 | 170.6° | 173.7° |
| C8 | N7 | C19 | H12 | 168.5° | 177.0° |
| C8 | N7 | C19 | H13 | 46.0° | 56.9° |
| C6 | C5 | C4 | C21 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 179.7° | 179.9° |
| C6 | C5 | C21 | C1 | 179.7° | 179.9° |
| C6 | C5 | C4 | H1 | 0.3° | 0.3° |
| C5 | C6 | C20 | H14 | 61.7° | 59.9° |
| C5 | C6 | C20 | H15 | 58.3° | 60.1° |
| C5 | C6 | C20 | H16 | 178.3° | 180.0° |
| C6 | C5 | C21 | H17 | 0.3° | 0.0° |
| F15 | C14 | C13 | H7 | 174.5° | 180.0° |
| F15 | C14 | C13 | H8 | 55.7° | 60.0° |
| F16 | C14 | C13 | H7 | 70.6° | 60.0° |
| F16 | C14 | C13 | H8 | 170.6° | 60.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C5 | C4 | C3 | N2 | 0.8° | 0.0° |
| C4 | C5 | C21 | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 145.8° | 160.0° |
| C5 | C4 | C3 | H9 | 179.2° | 180.0° |
| C4 | C5 | C21 | H17 | 179.9° | 180.0° |
| C3 | C4 | C5 | C21 | 0.1° | 0.0° |
| C4 | C3 | N2 | H9 | 180.0° | 180.0° |
| C4 | C3 | N2 | C1 | 1.5° | 0.0° |
| C11 | N10 | C9 | C8 | 99.7° | 128.8° |
| C11 | N10 | C9 | H5 | 141.5° | 111.5° |
| C11 | N10 | C9 | H6 | 18.9° | 9.0° |
| N10 | C11 | C13 | H7 | 81.0° | 60.0° |
| N10 | C11 | C13 | H8 | 37.8° | 60.0° |
| C11 | N10 | C18 | H10 | 85.5° | 9.1° |
| C11 | N10 | C18 | H11 | 35.1° | 111.5° |
| C9 | N10 | C11 | O12 | 4.3° | 180.0° |
| N10 | C9 | C8 | H5 | 118.7° | 119.8° |
| N10 | C9 | C8 | H6 | 118.7° | 119.9° |
| N10 | C9 | C8 | H3 | 68.1° | 66.1° |
| N10 | C9 | C8 | H4 | 171.8° | 173.8° |
| N10 | C9 | H5 | H6 | 123.7° | 120.6° |
| C9 | N10 | C18 | H10 | 102.9° | 170.9° |
| C9 | N10 | C18 | H11 | 136.5° | 68.6° |
| O12 | C11 | C13 | H7 | 93.6° | 120.0° |
| O12 | C11 | C13 | H8 | 147.6° | 120.0° |
| C5 | C21 | C1 | H17 | 180.0° | 180.0° |
| C5 | C21 | C1 | N2 | 0.8° | 0.0° |
| C5 | C21 | C1 | N22 | 179.9° | 180.0° |
| C21 | C5 | C4 | H1 | 179.9° | 179.7° |
| C21 | C5 | C6 | H2 | 34.6° | 19.9° |
| C3 | N2 | C1 | C21 | 1.6° | 0.0° |
| C3 | N2 | C1 | N22 | 179.4° | 180.0° |
| N2 | C3 | C4 | H1 | 179.2° | 179.7° |
| C9 | C8 | H3 | H4 | 120.2° | 120.1° |
| C8 | C9 | H5 | H6 | 123.7° | 120.4° |
| C21 | C1 | N2 | N22 | 179.0° | 180.0° |
| C21 | C1 | N22 | C23 | 179.0° | 174.8° |
| C21 | C1 | N22 | H30 | 1.0° | 5.2° |
| N2 | C1 | N22 | C23 | 0.1° | 5.2° |
| C1 | N2 | C3 | H9 | 178.5° | 180.0° |
| N2 | C1 | C21 | H17 | 179.2° | 180.0° |
| N2 | C1 | N22 | H30 | 179.9° | 174.8° |
| C1 | N22 | C23 | H30 | 180.0° | 180.0° |
| C1 | N22 | C23 | N40 | 7.2° | 174.8° |
| C1 | N22 | C23 | N24 | 180.0° | 5.5° |
| N22 | C1 | C21 | H17 | 0.1° | 0.0° |
| N22 | C23 | N40 | N24 | 173.2° | 179.7° |
| N22 | C23 | N40 | C26 | 177.0° | 179.7° |
| N22 | C23 | N24 | C25 | 178.2° | 180.0° |
| N22 | C23 | N24 | H31 | 1.7° | 0.1° |
| C23 | N40 | C26 | C27 | 178.4° | 179.8° |
| C23 | N40 | C26 | C25 | 1.7° | 0.2° |
| N40 | C23 | N24 | C25 | 4.3° | 0.2° |
| N40 | C23 | N22 | H30 | 172.8° | 5.1° |
| N40 | C23 | N24 | H31 | 175.6° | 179.8° |
| C26 | N40 | C23 | N24 | 3.8° | 0.0° |
| N40 | C26 | C27 | C25 | 179.9° | 180.0° |
| N40 | C26 | C25 | N24 | 0.9° | 0.3° |
| N40 | C26 | C27 | C28 | 179.8° | 180.0° |
| N40 | C26 | C25 | C30 | 180.0° | 180.0° |
| N40 | C26 | C27 | H18 | 0.2° | 0.0° |
| C23 | N24 | C25 | C26 | 3.1° | 0.3° |
| C23 | N24 | C25 | H31 | 180.0° | 180.0° |
| C23 | N24 | C25 | C30 | 177.9° | 180.0° |
| N24 | C23 | N22 | H30 | 0.0° | 174.5° |
| C37 | C36 | C35 | H25 | 109.3° | 107.5° |
| C37 | C36 | C35 | H26 | 109.3° | 107.5° |
| C36 | C37 | C35 | H27 | 109.4° | 107.5° |
| C36 | C37 | C35 | H28 | 109.4° | 107.5° |
| C37 | C36 | C35 | C34 | 109.5° | 107.5° |
| C37 | C36 | C35 | H24 | 107.3° | 107.5° |
| C37 | C36 | H25 | H26 | 145.0° | 145.6° |
| C36 | C37 | H27 | H28 | 144.8° | 145.7° |
| C36 | C35 | C34 | H24 | 143.3° | 145.7° |
| C36 | C35 | C34 | N33 | 65.1° | 175.1° |
| C36 | C35 | C34 | H22 | 174.2° | 64.9° |
| C36 | C35 | C34 | H23 | 55.5° | 55.1° |
| C35 | C36 | H25 | H26 | 145.0° | 145.7° |
| C27 | C26 | C25 | N24 | 179.1° | 179.6° |
| C26 | C27 | C28 | H18 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.0° | 0.0° |
| C26 | C27 | C28 | C31 | 178.7° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C25 | N24 | C30 | 179.0° | 179.6° |
| C25 | C26 | C27 | C28 | 0.3° | 0.0° |
| C26 | C25 | C30 | C29 | 0.5° | 0.0° |
| C25 | C26 | C27 | H18 | 179.8° | 180.0° |
| C26 | C25 | C30 | H20 | 179.4° | 180.0° |
| C26 | C25 | N24 | H31 | 176.9° | 179.7° |
| C37 | C35 | C34 | H24 | 147.7° | 145.7° |
| C37 | C35 | C34 | N33 | 134.2° | 116.3° |
| C37 | C35 | C34 | H22 | 105.2° | 3.7° |
| C37 | C35 | C34 | H23 | 13.5° | 123.8° |
| C35 | C37 | H27 | H28 | 144.8° | 145.7° |
| N24 | C25 | C30 | C29 | 179.4° | 179.5° |
| N24 | C25 | C30 | H20 | 0.6° | 0.4° |
| C27 | C28 | C31 | C32 | 1.8° | 179.7° |
| C27 | C28 | C31 | C29 | 178.8° | 180.0° |
| C27 | C28 | C29 | C30 | 0.6° | 0.0° |
| C27 | C28 | C31 | C39 | 178.9° | 0.1° |
| C27 | C28 | C29 | H19 | 179.4° | 179.9° |
| C25 | C30 | C29 | C28 | 0.8° | 0.0° |
| C25 | C30 | C29 | H20 | 180.0° | 180.0° |
| C25 | C30 | C29 | H19 | 179.2° | 179.9° |
| C30 | C25 | N24 | H31 | 2.1° | 0.1° |
| C35 | C34 | N33 | C32 | 28.5° | 125.0° |
| C35 | C34 | N33 | H22 | 120.7° | 120.0° |
| C35 | C34 | N33 | H23 | 120.7° | 120.0° |
| C35 | C34 | N33 | N38 | 149.6° | 54.8° |
| C35 | C34 | H22 | H23 | 118.0° | 120.0° |
| C34 | C35 | C36 | H25 | 0.2° | 145.0° |
| C34 | C35 | C36 | H26 | 141.1° | 0.0° |
| C34 | C35 | C37 | H27 | 145.2° | 0.0° |
| C34 | C35 | C37 | H28 | 4.1° | 145.1° |
| C31 | C32 | N33 | H21 | 180.0° | 180.0° |
| C32 | C31 | C28 | C39 | 179.3° | 179.7° |
| C32 | C31 | C28 | C29 | 177.0° | 0.3° |
| C31 | C32 | N33 | C34 | 178.4° | 180.0° |
| C31 | C32 | N33 | N38 | 0.1° | 0.2° |
| C32 | C31 | C39 | N38 | 0.3° | 0.3° |
| C32 | C31 | C39 | H29 | 179.7° | 179.7° |
| N33 | C32 | C31 | C28 | 179.3° | 180.0° |
| C32 | N33 | C34 | N38 | 178.1° | 179.8° |
| N33 | C32 | C31 | C39 | 0.2° | 0.3° |
| C32 | N33 | N38 | C39 | 0.3° | 0.0° |
| C32 | N33 | C34 | H22 | 149.2° | 5.0° |
| C32 | N33 | C34 | H23 | 92.1° | 115.0° |
| C31 | C28 | C29 | C30 | 178.1° | 180.0° |
| C28 | C31 | C39 | N38 | 179.1° | 180.0° |
| C31 | C28 | C27 | H18 | 1.3° | 0.0° |
| C31 | C28 | C29 | H19 | 1.9° | 0.1° |
| C28 | C31 | C32 | H21 | 0.7° | 0.0° |
| C28 | C31 | C39 | H29 | 0.9° | 0.0° |
| C28 | C29 | C30 | H19 | 180.0° | 180.0° |
| C29 | C28 | C31 | C39 | 2.3° | 179.9° |
| C29 | C28 | C27 | H18 | 179.9° | 180.0° |
| C28 | C29 | C30 | H20 | 179.1° | 180.0° |
| C34 | N33 | N38 | C39 | 178.7° | 179.8° |
| C34 | N33 | C32 | H21 | 1.6° | 0.0° |
| N33 | C34 | H22 | H23 | 117.9° | 120.0° |
| N33 | C34 | C35 | H24 | 78.1° | 29.4° |
| C31 | C39 | N38 | N33 | 0.4° | 0.2° |
| C31 | C39 | N38 | H29 | 180.0° | 180.0° |
| C39 | C31 | C32 | H21 | 179.8° | 179.7° |
| N38 | N33 | C32 | H21 | 179.9° | 179.8° |
| N38 | N33 | C34 | H22 | 28.9° | 174.8° |
| N38 | N33 | C34 | H23 | 89.8° | 65.2° |
| N33 | N38 | C39 | H29 | 179.6° | 179.8° |
| H1 | C4 | C3 | H9 | 0.8° | 0.4° |
| H2 | C6 | C20 | H14 | 58.7° | 60.0° |
| H2 | C6 | C20 | H15 | 178.8° | 180.0° |
| H2 | C6 | C20 | H16 | 61.3° | 60.0° |
| H3 | C8 | C9 | H5 | 173.2° | 174.1° |
| H3 | C8 | C9 | H6 | 50.6° | 53.8° |
| H4 | C8 | C9 | H5 | 53.1° | 54.0° |
| H4 | C8 | C9 | H6 | 69.5° | 66.3° |
| H10 | C18 | C19 | H12 | 66.8° | 66.5° |
| H10 | C18 | C19 | H13 | 55.8° | 53.6° |
| H11 | C18 | C19 | H12 | 53.9° | 54.0° |
| H11 | C18 | C19 | H13 | 176.4° | 174.1° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H19 | C29 | C30 | H20 | 0.9° | 0.0° |
| H22 | C34 | C35 | H24 | 42.5° | 149.4° |
| H23 | C34 | C35 | H24 | 161.2° | 90.6° |
| H24 | C35 | C36 | H25 | 143.4° | 0.0° |
| H24 | C35 | C36 | H26 | 2.0° | 145.1° |
| H24 | C35 | C37 | H27 | 2.3° | 145.0° |
| H24 | C35 | C37 | H28 | 143.5° | 0.0° |
| H25 | C36 | C37 | H27 | 141.2° | 145.0° |
| H25 | C36 | C37 | H28 | 0.1° | 0.0° |
| H26 | C36 | C37 | H27 | 0.1° | 0.1° |
| H26 | C36 | C37 | H28 | 141.2° | 145.0° |
