A1E5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N22 | doub | 1.32Å | 1.33Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C23 | sing | 1.32Å | 1.32Å | Aromatic |
| F39 | C20 | sing | 1.35Å | 1.36Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | N03 | sing | 1.40Å | 1.47Å | |
| C24 | N25 | sing | 1.40Å | 1.47Å | |
| C04 | N03 | sing | 1.47Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| N03 | C02 | sing | 1.47Å | 1.48Å | |
| N25 | C26 | sing | 1.35Å | 1.47Å | |
| O27 | C26 | doub | 1.22Å | 1.17Å | |
| C26 | C28 | sing | 1.46Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.49Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| N37 | C36 | sing | 1.39Å | 1.45Å | |
| C28 | C36 | sing | 1.41Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.41Å | 1.40Å | Aromatic |
| C06 | C01 | sing | 1.53Å | 1.46Å | |
| C06 | C07 | sing | 1.51Å | 1.55Å | |
| C36 | N35 | doub | 1.31Å | 1.34Å | Aromatic |
| C29 | N30 | sing | 1.33Å | 1.38Å | Aromatic |
| C29 | N34 | sing | 1.37Å | 1.31Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.34Å | Aromatic |
| N35 | N34 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.40Å | |
| C07 | O08 | doub | 1.21Å | 1.18Å | |
| C07 | N09 | sing | 1.35Å | 1.48Å | |
| C14 | N09 | sing | 1.47Å | 1.42Å | |
| N34 | C33 | sing | 1.36Å | 1.35Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.54Å | 1.47Å | |
| C16 | O17 | sing | 1.44Å | 1.47Å | |
| N09 | C10 | sing | 1.47Å | 1.42Å | |
| C15 | N12 | sing | 1.47Å | 1.26Å | |
| C15 | C18 | sing | 1.54Å | 1.47Å | |
| C33 | C32 | doub | 1.36Å | 1.35Å | Aromatic |
| N12 | C11 | sing | 1.47Å | 1.40Å | |
| C32 | F38 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| O17 | C18 | sing | 1.44Å | 1.47Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| N25 | H28 | sing | 0.97Å | 1.00Å | |
| N37 | H29 | sing | 0.97Å | 1.00Å | |
| N37 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C21 | C20 | 120.5° | 120.9° |
| C21 | N22 | C23 | 122.1° | 122.0° |
| N22 | C21 | H3 | 119.8° | 119.6° |
| C21 | C20 | F39 | 119.3° | 120.4° |
| C21 | C20 | C19 | 119.4° | 119.1° |
| C20 | C21 | H3 | 119.8° | 119.5° |
| N22 | C23 | C24 | 120.3° | 120.8° |
| N22 | C23 | H4 | 119.8° | 119.7° |
| F39 | C20 | C19 | 121.3° | 120.5° |
| C20 | C19 | C24 | 118.2° | 118.2° |
| C20 | C19 | N03 | 121.8° | 120.9° |
| C23 | C24 | C19 | 119.5° | 119.0° |
| C23 | C24 | N25 | 122.7° | 120.5° |
| C24 | C23 | H4 | 119.9° | 119.6° |
| C24 | C19 | N03 | 120.0° | 120.9° |
| C19 | C24 | N25 | 117.8° | 120.5° |
| C19 | N03 | C04 | 121.0° | 111.0° |
| C19 | N03 | C02 | 119.7° | 111.0° |
| C24 | N25 | C26 | 124.4° | 120.0° |
| C24 | N25 | H28 | 117.8° | 120.0° |
| N03 | C04 | C05 | 111.9° | 109.5° |
| C04 | N03 | C02 | 111.0° | 111.2° |
| N03 | C04 | H9 | 108.9° | 109.5° |
| N03 | C04 | H10 | 108.9° | 109.4° |
| C04 | C05 | C06 | 113.3° | 109.2° |
| C05 | C04 | H9 | 108.9° | 109.5° |
| C05 | C04 | H10 | 108.9° | 109.4° |
| C04 | C05 | H11 | 108.5° | 109.5° |
| C04 | C05 | H12 | 108.5° | 109.5° |
| N03 | C02 | C01 | 107.7° | 109.5° |
| N03 | C02 | H7 | 109.9° | 109.5° |
| N03 | C02 | H8 | 109.9° | 109.4° |
| N25 | C26 | O27 | 123.3° | 120.0° |
| N25 | C26 | C28 | 118.2° | 120.0° |
| C26 | N25 | H28 | 117.8° | 120.0° |
| O27 | C26 | C28 | 118.5° | 120.0° |
| C26 | C28 | C36 | 125.8° | 126.6° |
| C26 | C28 | C29 | 125.8° | 126.5° |
| C02 | C01 | C06 | 107.9° | 109.3° |
| C02 | C01 | H5 | 109.8° | 109.5° |
| C02 | C01 | H6 | 109.8° | 109.5° |
| C01 | C02 | H7 | 109.9° | 109.5° |
| C01 | C02 | H8 | 109.9° | 109.5° |
| C05 | C06 | C01 | 111.4° | 109.2° |
| C05 | C06 | C07 | 112.2° | 109.5° |
| C06 | C05 | H11 | 108.5° | 109.5° |
| C06 | C05 | H12 | 108.5° | 109.5° |
| C05 | C06 | H13 | 107.2° | 109.6° |
| N37 | C36 | C28 | 126.6° | 125.8° |
| N37 | C36 | N35 | 126.3° | 125.7° |
| C36 | N37 | H29 | 109.5° | 119.9° |
| C36 | N37 | H30 | 109.5° | 120.0° |
| C36 | C28 | C29 | 108.4° | 106.9° |
| C28 | C36 | N35 | 107.1° | 108.5° |
| C28 | C29 | N30 | 133.2° | 132.3° |
| C28 | C29 | N34 | 106.9° | 106.8° |
| C01 | C06 | C07 | 111.1° | 109.5° |
| C06 | C01 | H5 | 109.9° | 109.5° |
| C06 | C01 | H6 | 109.9° | 109.5° |
| C01 | C06 | H13 | 107.9° | 109.5° |
| C06 | C07 | O08 | 121.1° | 120.0° |
| C06 | C07 | N09 | 119.3° | 120.0° |
| C07 | C06 | H13 | 106.8° | 109.6° |
| C36 | N35 | N34 | 108.0° | 109.5° |
| N30 | C29 | N34 | 119.8° | 120.9° |
| C29 | N30 | C31 | 118.9° | 120.9° |
| C29 | N34 | N35 | 109.6° | 108.3° |
| C29 | N34 | C33 | 121.9° | 119.7° |
| N30 | C31 | C32 | 120.6° | 120.1° |
| N30 | C31 | H25 | 119.7° | 120.0° |
| N35 | N34 | C33 | 128.5° | 132.0° |
| C14 | C13 | N12 | 111.2° | 109.3° |
| C13 | C14 | N09 | 110.0° | 108.4° |
| C14 | C13 | H16 | 109.1° | 109.5° |
| C14 | C13 | H17 | 109.0° | 109.5° |
| C13 | C14 | H18 | 109.3° | 109.6° |
| C13 | C14 | H19 | 109.3° | 109.6° |
| C13 | N12 | C15 | 110.3° | 111.0° |
| C13 | N12 | C11 | 112.3° | 111.2° |
| N12 | C13 | H16 | 109.0° | 109.6° |
| N12 | C13 | H17 | 109.0° | 109.4° |
| O08 | C07 | N09 | 119.6° | 120.0° |
| C07 | N09 | C14 | 125.0° | 120.9° |
| C07 | N09 | C10 | 125.8° | 120.9° |
| C14 | N09 | C10 | 109.2° | 118.3° |
| N09 | C14 | H18 | 109.3° | 109.7° |
| N09 | C14 | H19 | 109.3° | 109.6° |
| N34 | C33 | C32 | 119.4° | 119.1° |
| N34 | C33 | H26 | 120.3° | 120.4° |
| C31 | C32 | C33 | 119.4° | 119.3° |
| C31 | C32 | F38 | 120.4° | 120.4° |
| C32 | C31 | H25 | 119.7° | 120.0° |
| C15 | C16 | O17 | 90.4° | 85.5° |
| C16 | C15 | N12 | 110.8° | 113.8° |
| C16 | C15 | C18 | 89.3° | 85.8° |
| C16 | C15 | H20 | 113.1° | 113.9° |
| C15 | C16 | H21 | 114.0° | 113.8° |
| C15 | C16 | H22 | 114.0° | 113.8° |
| C16 | O17 | C18 | 89.6° | 93.4° |
| O17 | C16 | H21 | 114.0° | 113.9° |
| O17 | C16 | H22 | 114.0° | 113.9° |
| N09 | C10 | C11 | 110.0° | 108.7° |
| N09 | C10 | H1 | 109.3° | 109.6° |
| N09 | C10 | H2 | 109.3° | 109.6° |
| N12 | C15 | C18 | 109.9° | 113.8° |
| C15 | N12 | C11 | 110.1° | 110.9° |
| N12 | C15 | H20 | 117.3° | 113.0° |
| C15 | C18 | O17 | 90.5° | 85.5° |
| C18 | C15 | H20 | 113.1° | 113.8° |
| C15 | C18 | H23 | 114.0° | 113.9° |
| C15 | C18 | H24 | 114.0° | 113.9° |
| C33 | C32 | F38 | 120.2° | 120.3° |
| C32 | C33 | H26 | 120.3° | 120.4° |
| N12 | C11 | C10 | 112.5° | 109.4° |
| N12 | C11 | H14 | 108.7° | 109.5° |
| N12 | C11 | H15 | 108.7° | 109.5° |
| C11 | C10 | H1 | 109.3° | 109.7° |
| C11 | C10 | H2 | 109.3° | 109.7° |
| C10 | C11 | H14 | 108.7° | 109.5° |
| C10 | C11 | H15 | 108.7° | 109.5° |
| O17 | C18 | H23 | 114.0° | 113.8° |
| O17 | C18 | H24 | 114.0° | 113.9° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.4° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.4° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.8° |
| H21 | C16 | H22 | 109.4° | 113.1° |
| H23 | C18 | H24 | 109.5° | 113.1° |
| H29 | N37 | H30 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C21 | C20 | H3 | 180.0° | 179.8° |
| N22 | C21 | C20 | F39 | 179.9° | 180.0° |
| N22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C21 | N22 | C23 | C24 | 0.6° | 0.1° |
| C21 | N22 | C23 | H4 | 179.3° | 180.0° |
| C20 | C21 | N22 | C23 | 0.1° | 0.0° |
| C21 | C20 | F39 | C19 | 179.9° | 180.0° |
| C21 | C20 | C19 | C24 | 0.1° | 0.0° |
| C21 | C20 | C19 | N03 | 179.5° | 179.9° |
| N22 | C23 | C24 | H4 | 180.0° | 179.9° |
| N22 | C23 | C24 | C19 | 0.9° | 0.1° |
| N22 | C23 | C24 | N25 | 179.5° | 179.9° |
| C23 | N22 | C21 | H3 | 179.9° | 179.8° |
| F39 | C20 | C19 | C24 | 179.7° | 180.0° |
| F39 | C20 | C19 | N03 | 0.3° | 0.0° |
| F39 | C20 | C21 | H3 | 0.0° | 0.3° |
| C20 | C19 | C24 | C23 | 0.7° | 0.0° |
| C20 | C19 | C24 | N03 | 179.4° | 179.9° |
| C20 | C19 | C24 | N25 | 179.8° | 180.0° |
| C20 | C19 | N03 | C04 | 85.1° | 60.0° |
| C20 | C19 | N03 | C02 | 60.5° | 64.2° |
| C19 | C20 | C21 | H3 | 179.8° | 179.7° |
| C23 | C24 | C19 | N25 | 179.6° | 180.0° |
| C23 | C24 | C19 | N03 | 179.9° | 180.0° |
| C23 | C24 | N25 | C26 | 43.0° | 19.1° |
| C23 | C24 | N25 | H28 | 136.9° | 160.9° |
| C24 | C19 | N03 | C04 | 95.5° | 120.0° |
| C24 | C19 | N03 | C02 | 118.9° | 115.8° |
| C19 | C24 | N25 | C26 | 137.4° | 160.9° |
| C19 | C24 | C23 | H4 | 179.0° | 180.0° |
| C19 | C24 | N25 | H28 | 42.6° | 19.1° |
| N03 | C19 | C24 | N25 | 0.4° | 0.0° |
| C19 | N03 | C04 | C02 | 148.3° | 124.1° |
| C19 | N03 | C04 | C05 | 164.3° | 174.1° |
| C19 | N03 | C02 | C01 | 148.3° | 174.2° |
| C19 | N03 | C02 | H7 | 92.0° | 54.1° |
| C19 | N03 | C02 | H8 | 28.5° | 65.8° |
| C19 | N03 | C04 | H9 | 44.0° | 65.8° |
| C19 | N03 | C04 | H10 | 75.3° | 54.2° |
| C24 | N25 | C26 | H28 | 180.0° | 179.9° |
| C24 | N25 | C26 | O27 | 0.1° | 4.8° |
| C24 | N25 | C26 | C28 | 178.9° | 175.1° |
| N25 | C24 | C23 | H4 | 0.5° | 0.0° |
| N03 | C04 | C05 | H9 | 120.3° | 120.1° |
| N03 | C04 | C05 | H10 | 120.4° | 120.0° |
| C04 | N03 | C02 | C01 | 62.9° | 61.7° |
| N03 | C04 | C05 | C06 | 39.6° | 59.2° |
| C04 | N03 | C02 | H7 | 56.8° | 178.2° |
| C04 | N03 | C02 | H8 | 177.3° | 58.3° |
| N03 | C04 | H9 | H10 | 118.9° | 119.9° |
| N03 | C04 | C05 | H11 | 81.0° | 60.7° |
| N03 | C04 | C05 | H12 | 160.2° | 179.2° |
| C05 | C04 | N03 | C02 | 47.4° | 61.8° |
| C04 | C05 | C06 | H11 | 120.6° | 119.9° |
| C04 | C05 | C06 | H12 | 120.6° | 119.9° |
| C04 | C05 | C06 | C01 | 48.2° | 57.7° |
| C04 | C05 | C06 | C07 | 173.5° | 177.5° |
| C05 | C04 | H9 | H10 | 118.9° | 119.9° |
| C04 | C05 | H11 | H12 | 118.2° | 120.1° |
| C04 | C05 | C06 | H13 | 69.6° | 62.3° |
| N03 | C02 | C01 | H7 | 119.8° | 120.0° |
| N03 | C02 | C01 | H8 | 119.7° | 120.0° |
| N03 | C02 | C01 | C06 | 71.1° | 59.2° |
| N03 | C02 | C01 | H5 | 169.2° | 179.1° |
| N03 | C02 | C01 | H6 | 48.7° | 60.8° |
| N03 | C02 | H7 | H8 | 120.8° | 119.9° |
| C02 | N03 | C04 | H9 | 167.7° | 58.3° |
| C02 | N03 | C04 | H10 | 73.0° | 178.3° |
| N25 | C26 | O27 | C28 | 179.0° | 179.9° |
| N25 | C26 | C28 | C36 | 146.8° | 90.0° |
| N25 | C26 | C28 | C29 | 34.0° | 90.3° |
| O27 | C26 | C28 | C36 | 34.2° | 89.9° |
| O27 | C26 | C28 | C29 | 145.1° | 89.8° |
| O27 | C26 | N25 | H28 | 179.9° | 175.3° |
| C26 | C28 | C36 | N37 | 0.8° | 0.0° |
| C26 | C28 | C36 | C29 | 179.4° | 179.8° |
| C26 | C28 | C36 | N35 | 179.7° | 180.0° |
| C26 | C28 | C29 | N30 | 0.5° | 0.0° |
| C26 | C28 | C29 | N34 | 179.4° | 180.0° |
| C28 | C26 | N25 | H28 | 1.1° | 4.8° |
| C02 | C01 | C06 | C05 | 63.4° | 57.7° |
| C02 | C01 | C06 | H5 | 119.8° | 120.0° |
| C02 | C01 | C06 | H6 | 119.8° | 120.0° |
| C02 | C01 | C06 | C07 | 170.8° | 177.5° |
| C02 | C01 | H5 | H6 | 120.7° | 120.0° |
| C01 | C02 | H7 | H8 | 120.8° | 120.0° |
| C02 | C01 | C06 | H13 | 54.0° | 62.3° |
| C05 | C06 | C01 | C07 | 125.9° | 119.9° |
| C05 | C06 | C01 | H13 | 117.4° | 119.9° |
| C05 | C06 | C07 | H13 | 117.2° | 120.2° |
| C05 | C06 | C07 | O08 | 39.5° | 15.3° |
| C05 | C06 | C07 | N09 | 140.5° | 164.6° |
| C05 | C06 | C01 | H5 | 176.9° | 177.6° |
| C05 | C06 | C01 | H6 | 56.4° | 62.3° |
| C06 | C05 | C04 | H9 | 159.9° | 60.9° |
| C06 | C05 | C04 | H10 | 80.8° | 179.2° |
| C06 | C05 | H11 | H12 | 118.2° | 120.2° |
| N37 | C36 | C28 | N35 | 179.5° | 180.0° |
| N37 | C36 | C28 | C29 | 179.9° | 179.7° |
| N37 | C36 | N35 | N34 | 180.0° | 179.8° |
| C36 | N37 | H29 | H30 | 120.0° | 180.0° |
| C36 | C28 | C29 | N30 | 179.9° | 179.8° |
| C36 | C28 | C29 | N34 | 0.1° | 0.3° |
| C28 | C36 | N35 | N34 | 0.5° | 0.1° |
| C28 | C36 | N37 | H29 | 179.4° | 0.0° |
| C28 | C36 | N37 | H30 | 60.6° | 180.0° |
| C29 | C28 | C36 | N35 | 0.4° | 0.2° |
| C28 | C29 | N30 | N34 | 180.0° | 180.0° |
| C28 | C29 | N30 | C31 | 179.7° | 180.0° |
| C28 | C29 | N34 | N35 | 0.2° | 0.2° |
| C28 | C29 | N34 | C33 | 179.9° | 180.0° |
| C01 | C06 | C07 | H13 | 117.4° | 120.1° |
| C01 | C06 | C07 | O08 | 86.0° | 104.3° |
| C01 | C06 | C07 | N09 | 94.1° | 75.7° |
| C06 | C01 | H5 | H6 | 120.7° | 120.1° |
| C06 | C01 | C02 | H7 | 48.7° | 179.2° |
| C06 | C01 | C02 | H8 | 169.2° | 60.8° |
| C01 | C06 | C05 | H11 | 72.4° | 62.3° |
| C01 | C06 | C05 | H12 | 168.8° | 177.5° |
| C06 | C07 | O08 | N09 | 179.9° | 180.0° |
| C06 | C07 | N09 | C14 | 0.5° | 5.9° |
| C06 | C07 | N09 | C10 | 179.4° | 174.2° |
| C07 | C06 | C01 | H5 | 51.0° | 62.5° |
| C07 | C06 | C01 | H6 | 69.5° | 57.6° |
| C07 | C06 | C05 | H11 | 52.9° | 57.6° |
| C07 | C06 | C05 | H12 | 65.9° | 62.6° |
| C36 | N35 | N34 | C29 | 0.5° | 0.1° |
| C36 | N35 | N34 | C33 | 179.6° | 179.8° |
| N35 | C36 | N37 | H29 | 0.0° | 179.9° |
| N35 | C36 | N37 | H30 | 120.0° | 0.0° |
| N30 | C29 | N34 | N35 | 179.8° | 179.8° |
| N30 | C29 | N34 | C33 | 0.1° | 0.1° |
| C29 | N30 | C31 | C32 | 0.3° | 0.1° |
| C29 | N30 | C31 | H25 | 179.7° | 180.0° |
| N34 | C29 | N30 | C31 | 0.3° | 0.0° |
| C29 | N34 | N35 | C33 | 179.9° | 179.7° |
| C29 | N34 | C33 | C32 | 0.6° | 0.1° |
| C29 | N34 | C33 | H26 | 179.5° | 180.0° |
| N30 | C31 | C32 | H25 | 180.0° | 180.0° |
| N30 | C31 | C32 | C33 | 0.1° | 0.0° |
| N30 | C31 | C32 | F38 | 179.6° | 179.9° |
| N35 | N34 | C33 | C32 | 179.3° | 179.8° |
| N35 | N34 | C33 | H26 | 0.7° | 0.3° |
| C14 | C13 | N12 | H16 | 120.3° | 120.0° |
| C14 | C13 | N12 | H17 | 120.3° | 119.9° |
| C13 | C14 | N09 | C07 | 118.2° | 128.9° |
| C13 | C14 | N09 | H18 | 120.1° | 119.7° |
| C13 | C14 | N09 | H19 | 120.1° | 119.6° |
| C13 | C14 | N09 | C10 | 60.8° | 51.1° |
| C14 | C13 | N12 | C15 | 176.4° | 172.8° |
| C14 | C13 | N12 | C11 | 53.2° | 63.2° |
| C14 | C13 | H16 | H17 | 119.2° | 120.1° |
| C13 | C14 | H18 | H19 | 119.8° | 120.5° |
| N12 | C13 | C14 | N09 | 58.1° | 53.9° |
| C13 | N12 | C15 | C16 | 66.0° | 83.9° |
| C13 | N12 | C15 | C11 | 124.4° | 124.2° |
| C13 | N12 | C15 | C18 | 163.0° | 180.0° |
| C13 | N12 | C11 | C10 | 51.9° | 63.1° |
| C13 | N12 | C11 | H14 | 68.5° | 176.9° |
| C13 | N12 | C11 | H15 | 172.4° | 56.9° |
| N12 | C13 | H16 | H17 | 119.2° | 120.1° |
| N12 | C13 | C14 | H18 | 62.0° | 65.8° |
| N12 | C13 | C14 | H19 | 178.1° | 173.6° |
| C13 | N12 | C15 | H20 | 65.9° | 48.1° |
| O08 | C07 | N09 | C14 | 179.4° | 174.2° |
| O08 | C07 | N09 | C10 | 0.5° | 5.8° |
| O08 | C07 | C06 | H13 | 156.6° | 135.5° |
| C07 | N09 | C14 | C10 | 179.0° | 180.0° |
| C07 | N09 | C10 | C11 | 120.3° | 128.9° |
| C07 | N09 | C10 | H1 | 119.6° | 9.1° |
| C07 | N09 | C10 | H2 | 0.2° | 111.2° |
| N09 | C07 | C06 | H13 | 23.3° | 44.4° |
| C07 | N09 | C14 | H18 | 121.7° | 111.4° |
| C07 | N09 | C14 | H19 | 1.9° | 9.3° |
| C14 | N09 | C10 | C11 | 58.7° | 51.1° |
| C14 | N09 | C10 | H1 | 61.4° | 170.9° |
| C14 | N09 | C10 | H2 | 178.8° | 68.8° |
| N09 | C14 | C13 | H16 | 62.2° | 66.1° |
| N09 | C14 | C13 | H17 | 178.3° | 173.8° |
| N09 | C14 | H18 | H19 | 119.7° | 120.6° |
| N34 | C33 | C32 | C31 | 0.6° | 0.1° |
| N34 | C33 | C32 | H26 | 180.0° | 179.9° |
| N34 | C33 | C32 | F38 | 179.9° | 179.9° |
| C31 | C32 | C33 | F38 | 179.5° | 179.9° |
| C31 | C32 | C33 | H26 | 179.4° | 180.0° |
| C15 | C16 | O17 | H21 | 116.7° | 114.1° |
| C15 | C16 | O17 | H22 | 116.6° | 114.1° |
| C16 | C15 | N12 | C18 | 97.1° | 96.1° |
| C16 | C15 | N12 | H20 | 131.9° | 132.0° |
| C16 | C15 | C18 | H20 | 114.9° | 114.3° |
| C16 | C15 | N12 | C11 | 169.6° | 151.9° |
| C15 | C16 | O17 | C18 | 3.4° | 24.2° |
| C15 | C16 | H21 | H22 | 129.0° | 132.0° |
| C16 | C15 | C18 | H23 | 113.3° | 136.7° |
| C16 | C15 | C18 | H24 | 120.0° | 91.6° |
| O17 | C16 | C15 | N12 | 114.4° | 136.8° |
| O17 | C16 | C15 | H20 | 111.5° | 91.7° |
| O17 | C16 | H21 | H22 | 129.0° | 132.1° |
| C16 | O17 | C18 | H23 | 113.3° | 138.4° |
| C16 | O17 | C18 | H24 | 120.0° | 90.0° |
| N09 | C10 | C11 | N12 | 54.5° | 53.7° |
| N09 | C10 | C11 | H1 | 120.1° | 119.8° |
| N09 | C10 | C11 | H2 | 120.1° | 119.8° |
| N09 | C10 | H1 | H2 | 119.7° | 120.3° |
| N09 | C10 | C11 | H14 | 65.9° | 173.7° |
| N09 | C10 | C11 | H15 | 175.0° | 66.3° |
| C10 | N09 | C14 | H18 | 59.3° | 68.6° |
| C10 | N09 | C14 | H19 | 179.1° | 170.7° |
| N12 | C15 | C18 | H20 | 133.2° | 131.5° |
| C15 | N12 | C11 | C10 | 175.2° | 172.8° |
| N12 | C15 | C18 | O17 | 115.2° | 136.8° |
| C15 | N12 | C11 | H14 | 54.7° | 52.9° |
| C15 | N12 | C11 | H15 | 64.4° | 67.2° |
| C15 | N12 | C13 | H16 | 56.1° | 67.2° |
| C15 | N12 | C13 | H17 | 63.3° | 52.9° |
| N12 | C15 | C16 | H21 | 128.9° | 22.6° |
| N12 | C15 | C16 | H22 | 2.3° | 109.0° |
| N12 | C15 | C18 | H23 | 1.4° | 109.1° |
| N12 | C15 | C18 | H24 | 128.1° | 22.6° |
| C18 | C15 | N12 | C11 | 72.6° | 55.8° |
| C15 | C18 | O17 | H23 | 116.6° | 114.1° |
| C15 | C18 | O17 | H24 | 116.7° | 114.2° |
| C18 | C15 | C16 | H21 | 120.1° | 91.6° |
| C18 | C15 | C16 | H22 | 113.3° | 136.8° |
| C15 | C18 | H23 | H24 | 129.0° | 132.1° |
| C33 | C32 | C31 | H25 | 179.9° | 180.0° |
| N12 | C11 | C10 | H14 | 120.5° | 119.9° |
| N12 | C11 | C10 | H15 | 120.5° | 120.0° |
| N12 | C11 | C10 | H1 | 65.5° | 173.5° |
| N12 | C11 | C10 | H2 | 174.6° | 66.1° |
| N12 | C11 | H14 | H15 | 118.6° | 120.1° |
| C11 | N12 | C13 | H16 | 67.0° | 56.8° |
| C11 | N12 | C13 | H17 | 173.5° | 176.9° |
| C11 | N12 | C15 | H20 | 58.5° | 76.1° |
| F38 | C32 | C31 | H25 | 0.4° | 0.1° |
| F38 | C32 | C33 | H26 | 0.0° | 0.0° |
| C11 | C10 | H1 | H2 | 119.8° | 120.4° |
| C10 | C11 | H14 | H15 | 118.6° | 120.1° |
| O17 | C18 | C15 | H20 | 111.5° | 91.7° |
| C18 | O17 | C16 | H21 | 120.1° | 89.9° |
| C18 | O17 | C16 | H22 | 113.3° | 138.4° |
| O17 | C18 | H23 | H24 | 129.0° | 132.1° |
| H1 | C10 | C11 | H14 | 174.0° | 66.5° |
| H1 | C10 | C11 | H15 | 54.9° | 53.5° |
| H2 | C10 | C11 | H14 | 54.1° | 53.9° |
| H2 | C10 | C11 | H15 | 64.9° | 173.9° |
| H5 | C01 | C02 | H7 | 71.1° | 60.8° |
| H5 | C01 | C02 | H8 | 49.4° | 59.2° |
| H5 | C01 | C06 | H13 | 65.7° | 57.7° |
| H6 | C01 | C02 | H7 | 168.5° | 59.2° |
| H6 | C01 | C02 | H8 | 71.0° | 179.2° |
| H6 | C01 | C06 | H13 | 173.8° | 177.7° |
| H9 | C04 | C05 | H11 | 39.4° | 179.2° |
| H9 | C04 | C05 | H12 | 79.5° | 59.1° |
| H10 | C04 | C05 | H11 | 158.7° | 59.2° |
| H10 | C04 | C05 | H12 | 39.8° | 60.9° |
| H11 | C05 | C06 | H13 | 169.8° | 177.8° |
| H12 | C05 | C06 | H13 | 51.0° | 57.6° |
| H16 | C13 | C14 | H18 | 177.7° | 174.1° |
| H16 | C13 | C14 | H19 | 57.9° | 53.5° |
| H17 | C13 | C14 | H18 | 58.2° | 54.0° |
| H17 | C13 | C14 | H19 | 61.6° | 66.6° |
| H20 | C15 | C16 | H21 | 5.1° | 154.2° |
| H20 | C15 | C16 | H22 | 131.8° | 22.5° |
| H20 | C15 | C18 | H23 | 131.8° | 22.4° |
| H20 | C15 | C18 | H24 | 5.1° | 154.1° |
