A1IFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| F11 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C7 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| C26 | N25 | sing | 1.31Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.34Å | 1.33Å | Aromatic |
| C12 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.50Å | |
| C32 | C33 | doub | 1.37Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | N18 | sing | 1.46Å | 1.48Å | |
| N25 | C24 | doub | 1.30Å | 1.28Å | Aromatic |
| C5 | C31 | sing | 1.46Å | 1.46Å | |
| C5 | N4 | doub | 1.30Å | 1.29Å | |
| C33 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C36 | doub | 1.41Å | 1.38Å | Aromatic |
| C27 | S28 | sing | 1.76Å | 1.71Å | Aromatic |
| N4 | N3 | sing | 1.39Å | 1.36Å | |
| N14 | C13 | sing | 1.35Å | 1.34Å | |
| N14 | C20 | sing | 1.48Å | 1.45Å | |
| C13 | O29 | doub | 1.22Å | 1.23Å | |
| C24 | C23 | sing | 1.47Å | 1.46Å | |
| C24 | S28 | sing | 1.76Å | 1.74Å | Aromatic |
| N18 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| N18 | C19 | sing | 1.36Å | 1.35Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C2 | sing | 1.47Å | 1.46Å | |
| C23 | N22 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| C20 | C19 | sing | 1.51Å | 1.48Å | |
| C19 | N21 | doub | 1.30Å | 1.30Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.25Å | |
| N22 | N21 | sing | 1.29Å | 1.36Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 119.1° | 120.1° |
| C9 | C8 | C7 | 120.6° | 120.3° |
| C9 | C8 | H4 | 119.7° | 119.8° |
| C8 | C9 | H13 | 120.4° | 119.9° |
| C9 | C10 | F11 | 117.4° | 120.1° |
| C9 | C10 | C12 | 123.8° | 119.8° |
| C10 | C9 | H13 | 120.5° | 120.0° |
| C8 | C7 | C6 | 120.2° | 119.9° |
| C8 | C7 | C30 | 118.6° | 120.3° |
| C7 | C8 | H4 | 119.7° | 119.9° |
| F11 | C10 | C12 | 118.7° | 120.1° |
| C10 | C12 | C30 | 116.0° | 119.6° |
| C10 | C12 | C13 | 123.8° | 120.2° |
| C7 | C6 | C5 | 118.2° | 109.5° |
| C6 | C7 | C30 | 121.1° | 119.9° |
| C7 | C6 | H2 | 107.2° | 109.5° |
| C7 | C6 | H3 | 107.3° | 109.4° |
| C6 | C5 | C31 | 120.0° | 120.0° |
| C6 | C5 | N4 | 116.3° | 120.0° |
| C5 | C6 | H2 | 107.3° | 109.5° |
| C5 | C6 | H3 | 107.3° | 109.5° |
| C7 | C30 | C12 | 121.9° | 119.9° |
| C7 | C30 | H16 | 119.0° | 120.1° |
| C16 | C15 | N14 | 110.2° | 109.2° |
| C15 | C16 | C17 | 109.3° | 109.5° |
| C15 | C16 | N18 | 113.1° | 109.2° |
| C16 | C15 | H5 | 109.3° | 109.5° |
| C16 | C15 | H6 | 109.3° | 109.5° |
| C15 | C16 | H14 | 108.0° | 109.6° |
| C15 | N14 | C13 | 127.1° | 120.9° |
| C15 | N14 | C20 | 111.8° | 118.2° |
| N14 | C15 | H5 | 109.3° | 109.5° |
| N14 | C15 | H6 | 109.3° | 109.6° |
| N25 | C26 | C27 | 116.7° | 115.8° |
| C26 | N25 | C24 | 109.5° | 117.0° |
| N25 | C26 | H12 | 121.7° | 122.1° |
| C26 | C27 | S28 | 109.9° | 108.2° |
| C27 | C26 | H12 | 121.7° | 122.1° |
| C26 | C27 | H15 | 125.1° | 125.9° |
| C30 | C12 | C13 | 119.3° | 120.1° |
| C12 | C30 | H16 | 119.1° | 120.0° |
| C12 | C13 | N14 | 119.4° | 120.0° |
| C12 | C13 | O29 | 119.8° | 120.0° |
| C33 | C32 | C31 | 118.4° | 119.7° |
| C32 | C33 | C34 | 121.4° | 120.9° |
| C33 | C32 | H17 | 120.8° | 120.2° |
| C32 | C33 | H18 | 119.3° | 119.5° |
| C32 | C31 | C5 | 122.7° | 121.8° |
| C32 | C31 | C36 | 120.3° | 119.6° |
| C31 | C32 | H17 | 120.8° | 120.2° |
| C17 | C16 | N18 | 109.4° | 109.5° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.5° |
| C16 | C17 | H9 | 109.5° | 109.4° |
| C17 | C16 | H14 | 108.2° | 109.5° |
| C16 | N18 | C23 | 133.3° | 128.6° |
| C16 | N18 | C19 | 122.7° | 125.4° |
| N18 | C16 | H14 | 108.7° | 109.6° |
| N25 | C24 | C23 | 125.6° | 125.5° |
| N25 | C24 | S28 | 114.9° | 109.0° |
| C31 | C5 | N4 | 123.7° | 120.0° |
| C5 | C31 | C36 | 116.9° | 118.6° |
| C5 | N4 | N3 | 117.5° | 122.7° |
| C33 | C34 | C35 | 120.7° | 120.7° |
| C34 | C33 | H18 | 119.3° | 119.5° |
| C33 | C34 | H19 | 119.7° | 119.7° |
| C31 | C36 | C35 | 120.6° | 119.7° |
| C31 | C36 | C2 | 119.1° | 118.3° |
| C27 | S28 | C24 | 89.0° | 89.8° |
| S28 | C27 | H15 | 125.1° | 125.9° |
| N4 | N3 | C2 | 126.5° | 121.8° |
| N4 | N3 | H1 | 116.8° | 119.1° |
| C13 | N14 | C20 | 120.8° | 120.9° |
| N14 | C13 | O29 | 120.8° | 120.0° |
| N14 | C20 | C19 | 115.8° | 106.9° |
| N14 | C20 | H10 | 107.9° | 110.0° |
| N14 | C20 | H11 | 107.9° | 110.1° |
| C23 | C24 | S28 | 119.5° | 125.5° |
| C24 | C23 | N18 | 125.7° | 126.7° |
| C24 | C23 | N22 | 123.3° | 126.6° |
| C23 | N18 | C19 | 103.9° | 106.1° |
| N18 | C23 | N22 | 110.9° | 106.7° |
| N18 | C19 | C20 | 119.4° | 123.6° |
| N18 | C19 | N21 | 111.1° | 107.8° |
| C34 | C35 | C36 | 118.7° | 119.4° |
| C35 | C34 | H19 | 119.7° | 119.6° |
| C34 | C35 | H20 | 120.6° | 120.3° |
| C35 | C36 | C2 | 120.3° | 122.0° |
| C36 | C35 | H20 | 120.7° | 120.3° |
| C36 | C2 | N3 | 116.1° | 118.7° |
| C36 | C2 | O1 | 123.7° | 120.6° |
| C23 | N22 | N21 | 106.0° | 109.6° |
| N3 | C2 | O1 | 120.1° | 120.7° |
| C2 | N3 | H1 | 116.7° | 119.1° |
| C20 | C19 | N21 | 129.5° | 128.6° |
| C19 | C20 | H10 | 107.8° | 109.9° |
| C19 | C20 | H11 | 107.9° | 110.0° |
| C19 | N21 | N22 | 108.2° | 109.9° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | F11 | 176.7° | 180.0° |
| C8 | C9 | C10 | C12 | 0.2° | 0.3° |
| C9 | C8 | C7 | C6 | 174.4° | 180.0° |
| C9 | C8 | C7 | C30 | 0.8° | 0.3° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C10 | F11 | C12 | 176.7° | 179.7° |
| C9 | C10 | C12 | C30 | 0.1° | 0.3° |
| C9 | C10 | C12 | C13 | 169.0° | 180.0° |
| C10 | C9 | C8 | H4 | 179.7° | 179.9° |
| C8 | C7 | C6 | C30 | 175.0° | 179.7° |
| C8 | C7 | C6 | C5 | 142.1° | 89.7° |
| C8 | C7 | C30 | C12 | 0.8° | 0.3° |
| C8 | C7 | C6 | H2 | 20.9° | 150.3° |
| C8 | C7 | C6 | H3 | 96.6° | 30.3° |
| C7 | C8 | C9 | H13 | 179.7° | 180.0° |
| C8 | C7 | C30 | H16 | 179.2° | 179.7° |
| F11 | C10 | C12 | C30 | 176.6° | 180.0° |
| F11 | C10 | C12 | C13 | 7.6° | 0.3° |
| F11 | C10 | C9 | H13 | 3.3° | 0.0° |
| C10 | C12 | C30 | C7 | 0.4° | 0.0° |
| C10 | C12 | C30 | C13 | 169.6° | 179.7° |
| C10 | C12 | C13 | N14 | 65.1° | 127.4° |
| C10 | C12 | C13 | O29 | 116.0° | 52.5° |
| C12 | C10 | C9 | H13 | 179.8° | 179.7° |
| C10 | C12 | C30 | H16 | 179.6° | 180.0° |
| C7 | C6 | C5 | H2 | 121.2° | 120.0° |
| C7 | C6 | C5 | H3 | 121.3° | 119.9° |
| C6 | C7 | C30 | C12 | 174.3° | 180.0° |
| C7 | C6 | C5 | C31 | 88.6° | 180.0° |
| C7 | C6 | C5 | N4 | 90.0° | 0.8° |
| C7 | C6 | H2 | H3 | 116.1° | 120.0° |
| C6 | C7 | C8 | H4 | 5.6° | 0.1° |
| C6 | C7 | C30 | H16 | 5.8° | 0.0° |
| C5 | C6 | C7 | C30 | 42.9° | 90.0° |
| C6 | C5 | C31 | C32 | 0.3° | 0.9° |
| C6 | C5 | C31 | N4 | 178.5° | 179.2° |
| C6 | C5 | C31 | C36 | 179.2° | 180.0° |
| C6 | C5 | N4 | N3 | 177.6° | 179.7° |
| C5 | C6 | H2 | H3 | 116.1° | 120.0° |
| C7 | C30 | C12 | H16 | 180.0° | 180.0° |
| C7 | C30 | C12 | C13 | 170.0° | 179.7° |
| C30 | C7 | C6 | H2 | 164.1° | 30.0° |
| C30 | C7 | C6 | H3 | 78.4° | 150.0° |
| C30 | C7 | C8 | H4 | 179.3° | 179.8° |
| C16 | C15 | N14 | H5 | 120.1° | 119.9° |
| C16 | C15 | N14 | H6 | 120.1° | 120.0° |
| C15 | C16 | C17 | N18 | 124.3° | 119.7° |
| C15 | C16 | C17 | H14 | 117.4° | 120.2° |
| C15 | C16 | N18 | H14 | 120.0° | 120.0° |
| C16 | C15 | N14 | C13 | 113.7° | 116.4° |
| C16 | C15 | N14 | C20 | 59.4° | 63.6° |
| C15 | C16 | N18 | C23 | 165.5° | 161.8° |
| C15 | C16 | N18 | C19 | 17.8° | 18.4° |
| C16 | C15 | H5 | H6 | 119.7° | 120.1° |
| C15 | C16 | C17 | H7 | 180.0° | 62.9° |
| C15 | C16 | C17 | H8 | 60.0° | 177.0° |
| C15 | C16 | C17 | H9 | 60.0° | 57.0° |
| C15 | N14 | C13 | C12 | 12.3° | 175.2° |
| N14 | C15 | C16 | C17 | 77.7° | 165.5° |
| N14 | C15 | C16 | N18 | 44.5° | 45.6° |
| C15 | N14 | C13 | C20 | 172.5° | 179.9° |
| C15 | N14 | C13 | O29 | 166.5° | 4.7° |
| C15 | N14 | C20 | C19 | 46.9° | 43.3° |
| N14 | C15 | H5 | H6 | 119.7° | 120.1° |
| C15 | N14 | C20 | H10 | 74.0° | 162.6° |
| C15 | N14 | C20 | H11 | 167.8° | 76.2° |
| N14 | C15 | C16 | H14 | 164.8° | 74.4° |
| N25 | C26 | C27 | H12 | 180.0° | 179.9° |
| N25 | C26 | C27 | S28 | 0.2° | 0.1° |
| C26 | N25 | C24 | C23 | 177.8° | 180.0° |
| C26 | N25 | C24 | S28 | 0.2° | 0.3° |
| N25 | C26 | C27 | H15 | 179.7° | 180.0° |
| C27 | C26 | N25 | C24 | 0.3° | 0.1° |
| C26 | C27 | S28 | H15 | 180.0° | 179.9° |
| C26 | C27 | S28 | C24 | 0.1° | 0.2° |
| C30 | C12 | C13 | N14 | 126.1° | 52.9° |
| C30 | C12 | C13 | O29 | 52.7° | 127.2° |
| C12 | C13 | N14 | O29 | 178.8° | 179.9° |
| C12 | C13 | N14 | C20 | 175.2° | 4.8° |
| C13 | C12 | C30 | H16 | 10.0° | 0.4° |
| C33 | C32 | C31 | H17 | 180.0° | 180.0° |
| C33 | C32 | C31 | C5 | 179.7° | 180.0° |
| C32 | C33 | C34 | H18 | 180.0° | 179.9° |
| C33 | C32 | C31 | C36 | 0.8° | 0.9° |
| C32 | C33 | C34 | C35 | 0.3° | 0.8° |
| C32 | C33 | C34 | H19 | 179.7° | 180.0° |
| C32 | C31 | C5 | C36 | 178.9° | 179.1° |
| C32 | C31 | C5 | N4 | 178.8° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | C31 | C36 | C35 | 1.1° | 0.8° |
| C32 | C31 | C36 | C2 | 177.1° | 179.7° |
| C31 | C32 | C33 | H18 | 179.9° | 180.0° |
| C17 | C16 | N18 | H14 | 118.0° | 120.1° |
| C17 | C16 | N18 | C23 | 72.5° | 41.9° |
| C17 | C16 | N18 | C19 | 104.3° | 138.3° |
| C17 | C16 | C15 | H5 | 162.2° | 45.6° |
| C17 | C16 | C15 | H6 | 42.4° | 74.6° |
| C16 | C17 | H7 | H8 | 120.0° | 120.1° |
| C16 | C17 | H7 | H9 | 120.0° | 119.9° |
| C16 | C17 | H8 | H9 | 120.0° | 120.0° |
| C16 | N18 | C23 | C24 | 7.3° | 0.5° |
| C16 | N18 | C23 | C19 | 177.2° | 179.8° |
| C16 | N18 | C23 | N22 | 177.5° | 179.5° |
| C16 | N18 | C19 | C20 | 4.5° | 0.6° |
| C16 | N18 | C19 | N21 | 177.9° | 179.4° |
| N18 | C16 | C15 | H5 | 75.7° | 74.3° |
| N18 | C16 | C15 | H6 | 164.6° | 165.5° |
| N18 | C16 | C17 | H7 | 55.7° | 177.4° |
| N18 | C16 | C17 | H8 | 64.3° | 57.3° |
| N18 | C16 | C17 | H9 | 175.7° | 62.7° |
| N25 | C24 | S28 | C27 | 0.0° | 0.3° |
| N25 | C24 | C23 | S28 | 177.5° | 179.7° |
| N25 | C24 | C23 | N18 | 0.5° | 53.0° |
| N25 | C24 | C23 | N22 | 175.1° | 127.0° |
| C24 | N25 | C26 | H12 | 179.7° | 180.0° |
| C31 | C5 | N4 | N3 | 3.8° | 0.6° |
| C5 | C31 | C36 | C35 | 180.0° | 180.0° |
| C5 | C31 | C36 | C2 | 1.8° | 0.5° |
| C31 | C5 | C6 | H2 | 32.6° | 59.9° |
| C31 | C5 | C6 | H3 | 150.1° | 60.1° |
| C5 | C31 | C32 | H17 | 0.3° | 0.0° |
| N4 | C5 | C31 | C36 | 2.4° | 0.8° |
| C5 | N4 | N3 | C2 | 1.1° | 0.0° |
| C5 | N4 | N3 | H1 | 178.9° | 179.7° |
| N4 | C5 | C6 | H2 | 148.8° | 119.2° |
| N4 | C5 | C6 | H3 | 31.3° | 120.7° |
| C33 | C34 | C35 | H19 | 180.0° | 179.2° |
| C33 | C34 | C35 | C36 | 0.1° | 0.8° |
| C34 | C33 | C32 | H17 | 179.8° | 179.9° |
| C33 | C34 | C35 | H20 | 179.9° | 180.0° |
| C31 | C36 | C35 | C34 | 0.6° | 0.0° |
| C31 | C36 | C35 | C2 | 178.1° | 179.5° |
| C31 | C36 | C2 | N3 | 4.2° | 0.0° |
| C31 | C36 | C2 | O1 | 171.8° | 180.0° |
| C36 | C31 | C32 | H17 | 179.2° | 179.2° |
| C31 | C36 | C35 | H20 | 179.4° | 179.2° |
| C27 | S28 | C24 | C23 | 177.8° | 180.0° |
| S28 | C27 | C26 | H12 | 179.7° | 179.8° |
| N4 | N3 | C2 | C36 | 2.9° | 0.3° |
| N4 | N3 | C2 | H1 | 180.0° | 179.8° |
| N4 | N3 | C2 | O1 | 173.2° | 179.7° |
| C13 | N14 | C20 | C19 | 126.7° | 136.8° |
| C13 | N14 | C15 | H5 | 126.2° | 123.6° |
| C13 | N14 | C15 | H6 | 6.4° | 3.5° |
| C13 | N14 | C20 | H10 | 112.5° | 17.5° |
| C13 | N14 | C20 | H11 | 5.7° | 103.8° |
| C20 | N14 | C13 | O29 | 5.9° | 175.3° |
| N14 | C20 | C19 | N18 | 18.6° | 10.8° |
| N14 | C20 | C19 | H10 | 120.9° | 119.4° |
| N14 | C20 | C19 | H11 | 121.0° | 119.5° |
| N14 | C20 | C19 | N21 | 164.3° | 169.2° |
| C20 | N14 | C15 | H5 | 60.7° | 56.3° |
| C20 | N14 | C15 | H6 | 179.5° | 176.4° |
| N14 | C20 | H10 | H11 | 117.1° | 121.3° |
| C24 | C23 | N18 | N22 | 175.2° | 180.0° |
| C24 | C23 | N18 | C19 | 175.5° | 179.7° |
| C24 | C23 | N22 | N21 | 175.5° | 179.9° |
| S28 | C24 | C23 | N18 | 177.0° | 127.3° |
| S28 | C24 | C23 | N22 | 2.4° | 52.8° |
| C24 | S28 | C27 | H15 | 179.9° | 179.9° |
| C23 | N18 | C19 | C20 | 177.9° | 179.6° |
| C23 | N18 | C19 | N21 | 0.4° | 0.4° |
| N18 | C23 | N22 | N21 | 0.1° | 0.2° |
| C23 | N18 | C16 | H14 | 45.5° | 78.2° |
| C19 | N18 | C23 | N22 | 0.3° | 0.3° |
| N18 | C19 | C20 | N21 | 177.1° | 179.9° |
| N18 | C19 | N21 | N22 | 0.3° | 0.3° |
| N18 | C19 | C20 | H10 | 102.3° | 130.2° |
| N18 | C19 | C20 | H11 | 139.6° | 108.6° |
| C19 | N18 | C16 | H14 | 137.7° | 101.6° |
| C34 | C35 | C36 | H20 | 180.0° | 179.2° |
| C34 | C35 | C36 | C2 | 177.5° | 179.4° |
| C35 | C34 | C33 | H18 | 179.7° | 179.2° |
| C35 | C36 | C2 | N3 | 177.6° | 179.5° |
| C35 | C36 | C2 | O1 | 6.4° | 0.6° |
| C36 | C35 | C34 | H19 | 179.9° | 180.0° |
| C36 | C2 | N3 | O1 | 176.1° | 180.0° |
| C36 | C2 | N3 | H1 | 177.1° | 180.0° |
| C2 | C36 | C35 | H20 | 2.5° | 0.2° |
| C23 | N22 | N21 | C19 | 0.1° | 0.1° |
| C20 | C19 | N21 | N22 | 177.6° | 179.6° |
| C19 | C20 | H10 | H11 | 117.1° | 121.2° |
| N21 | C19 | C20 | H10 | 74.8° | 49.9° |
| N21 | C19 | C20 | H11 | 43.4° | 71.3° |
| O1 | C2 | N3 | H1 | 6.8° | 0.1° |
| H4 | C8 | C9 | H13 | 0.3° | 0.1° |
| H5 | C15 | C16 | H14 | 44.7° | 165.7° |
| H6 | C15 | C16 | H14 | 75.1° | 45.5° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H7 | C17 | C16 | H14 | 62.6° | 57.2° |
| H8 | C17 | C16 | H14 | 177.4° | 62.8° |
| H9 | C17 | C16 | H14 | 57.4° | 177.2° |
| H12 | C26 | C27 | H15 | 0.3° | 0.1° |
| H17 | C32 | C33 | H18 | 0.1° | 0.0° |
| H18 | C33 | C34 | H19 | 0.3° | 0.0° |
| H19 | C34 | C35 | H20 | 0.1° | 0.8° |
