A1IFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.24Å | |
| C26 | N25 | sing | 1.31Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.34Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| C2 | C36 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C24 | doub | 1.30Å | 1.30Å | Aromatic |
| C27 | S28 | sing | 1.76Å | 1.69Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.43Å | |
| O29 | C13 | doub | 1.22Å | 1.21Å | |
| C36 | C31 | sing | 1.41Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | N18 | sing | 1.46Å | 1.47Å | |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| C24 | S28 | sing | 1.76Å | 1.73Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.47Å | |
| C13 | N14 | sing | 1.35Å | 1.36Å | |
| C13 | C12 | sing | 1.48Å | 1.49Å | |
| N4 | C5 | doub | 1.30Å | 1.29Å | |
| C31 | C5 | sing | 1.46Å | 1.48Å | |
| C31 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| N14 | C20 | sing | 1.48Å | 1.46Å | |
| N18 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| N18 | C19 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C23 | N22 | doub | 1.32Å | 1.33Å | Aromatic |
| C30 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C19 | N21 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| N22 | N21 | sing | 1.29Å | 1.40Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.33Å | |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | 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) |
| O1 | C2 | N3 | 120.8° | 120.6° |
| O1 | C2 | C36 | 123.7° | 120.6° |
| N25 | C26 | C27 | 116.0° | 115.8° |
| C26 | N25 | C24 | 110.1° | 117.0° |
| N25 | C26 | H12 | 122.0° | 122.1° |
| C26 | C27 | S28 | 110.5° | 108.3° |
| C27 | C26 | H12 | 122.0° | 122.1° |
| C26 | C27 | H15 | 124.8° | 125.8° |
| C17 | C16 | C15 | 112.4° | 109.5° |
| C17 | C16 | N18 | 111.0° | 109.5° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.4° |
| C16 | C17 | H9 | 109.5° | 109.4° |
| C17 | C16 | H14 | 107.8° | 109.5° |
| N3 | C2 | C36 | 115.1° | 118.8° |
| C2 | N3 | N4 | 127.1° | 121.8° |
| C2 | N3 | H1 | 116.5° | 119.1° |
| C2 | C36 | C35 | 120.7° | 122.0° |
| C2 | C36 | C31 | 119.8° | 118.2° |
| C36 | C35 | C34 | 120.0° | 119.6° |
| C35 | C36 | C31 | 119.4° | 119.8° |
| C36 | C35 | H20 | 120.0° | 120.3° |
| C35 | C34 | C33 | 120.4° | 120.7° |
| C35 | C34 | H19 | 119.8° | 119.6° |
| C34 | C35 | H20 | 120.0° | 120.2° |
| N25 | C24 | S28 | 114.1° | 109.0° |
| N25 | C24 | C23 | 125.3° | 125.5° |
| C27 | S28 | C24 | 89.3° | 89.8° |
| S28 | C27 | H15 | 124.7° | 125.9° |
| N3 | N4 | C5 | 117.8° | 122.7° |
| N4 | N3 | H1 | 116.4° | 119.1° |
| O29 | C13 | N14 | 123.3° | 120.0° |
| O29 | C13 | C12 | 118.3° | 120.0° |
| C36 | C31 | C5 | 118.5° | 118.6° |
| C36 | C31 | C32 | 119.9° | 119.6° |
| C34 | C33 | C32 | 120.2° | 120.8° |
| C34 | C33 | H18 | 119.9° | 119.6° |
| C33 | C34 | H19 | 119.8° | 119.7° |
| C15 | C16 | N18 | 109.7° | 109.1° |
| C16 | C15 | N14 | 110.7° | 109.2° |
| C16 | C15 | H5 | 109.1° | 109.5° |
| C16 | C15 | H6 | 109.2° | 109.6° |
| C15 | C16 | H14 | 107.6° | 109.5° |
| C16 | N18 | C23 | 130.5° | 128.6° |
| C16 | N18 | C19 | 124.0° | 125.3° |
| N18 | C16 | H14 | 108.2° | 109.6° |
| C15 | N14 | C13 | 124.1° | 121.0° |
| C15 | N14 | C20 | 111.5° | 118.1° |
| N14 | C15 | H5 | 109.2° | 109.5° |
| N14 | C15 | H6 | 109.2° | 109.5° |
| S28 | C24 | C23 | 120.6° | 125.5° |
| C24 | C23 | N18 | 124.1° | 126.7° |
| C24 | C23 | N22 | 125.5° | 126.6° |
| N14 | C13 | C12 | 118.4° | 120.0° |
| C13 | N14 | C20 | 124.4° | 120.9° |
| C13 | C12 | C30 | 121.7° | 120.2° |
| C13 | C12 | C10 | 121.1° | 120.2° |
| N4 | C5 | C31 | 121.6° | 120.0° |
| N4 | C5 | C6 | 117.9° | 120.0° |
| C5 | C31 | C32 | 121.6° | 121.9° |
| C31 | C5 | C6 | 120.5° | 120.0° |
| C31 | C32 | C33 | 120.1° | 119.6° |
| C31 | C32 | H17 | 120.0° | 120.2° |
| C33 | C32 | H17 | 120.0° | 120.3° |
| C32 | C33 | H18 | 119.9° | 119.6° |
| N14 | C20 | C19 | 110.1° | 106.9° |
| N14 | C20 | H10 | 109.3° | 110.0° |
| N14 | C20 | H11 | 109.3° | 110.0° |
| C23 | N18 | C19 | 105.5° | 106.0° |
| N18 | C23 | N22 | 110.2° | 106.7° |
| N18 | C19 | C20 | 121.6° | 123.7° |
| N18 | C19 | N21 | 110.3° | 107.8° |
| C5 | C6 | C7 | 115.1° | 109.4° |
| C5 | C6 | H2 | 108.1° | 109.5° |
| C5 | C6 | H3 | 108.0° | 109.5° |
| C23 | N22 | N21 | 106.6° | 109.6° |
| C12 | C30 | C7 | 122.0° | 119.9° |
| C30 | C12 | C10 | 117.1° | 119.7° |
| C12 | C30 | H16 | 119.0° | 120.0° |
| C30 | C7 | C6 | 120.7° | 119.9° |
| C30 | C7 | C8 | 118.1° | 120.2° |
| C7 | C30 | H16 | 119.0° | 120.1° |
| C12 | C10 | F11 | 118.8° | 120.1° |
| C12 | C10 | C9 | 122.8° | 119.8° |
| C20 | C19 | N21 | 127.9° | 128.5° |
| C19 | C20 | H10 | 109.3° | 109.9° |
| C19 | C20 | H11 | 109.3° | 110.0° |
| C19 | N21 | N22 | 107.4° | 109.8° |
| C6 | C7 | C8 | 120.5° | 119.9° |
| C7 | C6 | H2 | 108.0° | 109.4° |
| C7 | C6 | H3 | 108.1° | 109.5° |
| C7 | C8 | C9 | 121.1° | 120.3° |
| C7 | C8 | H4 | 119.5° | 119.9° |
| F11 | C10 | C9 | 118.3° | 120.1° |
| C10 | C9 | C8 | 118.8° | 120.1° |
| C10 | C9 | H13 | 120.6° | 119.9° |
| C9 | C8 | H4 | 119.5° | 119.8° |
| C8 | C9 | H13 | 120.6° | 119.9° |
| H2 | C6 | H3 | 109.4° | 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 | 109.4° | 109.4° |
| H10 | C20 | H11 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C36 | 172.9° | 180.0° |
| O1 | C2 | C36 | C35 | 6.4° | 0.0° |
| O1 | C2 | N3 | N4 | 170.2° | 180.0° |
| O1 | C2 | C36 | C31 | 169.6° | 180.0° |
| O1 | C2 | N3 | H1 | 9.8° | 0.3° |
| N25 | C26 | C27 | H12 | 180.0° | 179.7° |
| N25 | C26 | C27 | S28 | 0.1° | 0.5° |
| C26 | N25 | C24 | S28 | 0.0° | 0.0° |
| C26 | N25 | C24 | C23 | 179.1° | 179.8° |
| N25 | C26 | C27 | H15 | 179.9° | 180.0° |
| C27 | C26 | N25 | C24 | 0.1° | 0.3° |
| C26 | C27 | S28 | H15 | 180.0° | 179.5° |
| C26 | C27 | S28 | C24 | 0.0° | 0.4° |
| C17 | C16 | C15 | N18 | 123.9° | 119.9° |
| C17 | C16 | C15 | H14 | 118.6° | 120.1° |
| C17 | C16 | N18 | H14 | 118.1° | 120.2° |
| C17 | C16 | C15 | N14 | 80.0° | 165.5° |
| C17 | C16 | N18 | C23 | 66.4° | 41.9° |
| C17 | C16 | N18 | C19 | 115.3° | 138.3° |
| C17 | C16 | C15 | H5 | 40.1° | 74.6° |
| C17 | C16 | C15 | H6 | 159.8° | 45.5° |
| C16 | C17 | H7 | H8 | 120.0° | 120.0° |
| C16 | C17 | H7 | H9 | 120.0° | 120.0° |
| C16 | C17 | H8 | H9 | 120.0° | 119.9° |
| N3 | C2 | C36 | C35 | 179.1° | 180.0° |
| C2 | N3 | N4 | H1 | 180.0° | 179.8° |
| N3 | C2 | C36 | C31 | 3.1° | 0.0° |
| C2 | N3 | N4 | C5 | 1.7° | 0.2° |
| C2 | C36 | C35 | C31 | 176.0° | 180.0° |
| C2 | C36 | C35 | C34 | 175.3° | 179.4° |
| C36 | C2 | N3 | N4 | 2.7° | 0.0° |
| C2 | C36 | C31 | C5 | 2.5° | 0.3° |
| C2 | C36 | C31 | C32 | 175.4° | 179.7° |
| C36 | C2 | N3 | H1 | 177.3° | 179.8° |
| C2 | C36 | C35 | H20 | 4.7° | 0.0° |
| C36 | C35 | C34 | H20 | 180.0° | 179.4° |
| C36 | C35 | C34 | C33 | 0.4° | 0.6° |
| C35 | C36 | C31 | C5 | 178.6° | 179.8° |
| C35 | C36 | C31 | C32 | 0.7° | 0.3° |
| C36 | C35 | C34 | H19 | 179.6° | 179.7° |
| C34 | C35 | C36 | C31 | 0.8° | 0.6° |
| C35 | C34 | C33 | H19 | 180.0° | 179.6° |
| C35 | C34 | C33 | C32 | 0.0° | 0.4° |
| C35 | C34 | C33 | H18 | 180.0° | 179.7° |
| N25 | C24 | S28 | C27 | 0.0° | 0.3° |
| N25 | C24 | S28 | C23 | 179.1° | 179.7° |
| N25 | C24 | C23 | N18 | 3.7° | 48.0° |
| N25 | C24 | C23 | N22 | 178.0° | 132.0° |
| C24 | N25 | C26 | H12 | 179.9° | 180.0° |
| C27 | S28 | C24 | C23 | 179.1° | 180.0° |
| S28 | C27 | C26 | H12 | 179.9° | 179.8° |
| N3 | N4 | C5 | C31 | 0.9° | 0.5° |
| N3 | N4 | C5 | C6 | 177.5° | 179.9° |
| O29 | C13 | N14 | C15 | 6.9° | 4.2° |
| O29 | C13 | N14 | C12 | 178.8° | 179.9° |
| O29 | C13 | N14 | C20 | 174.4° | 175.8° |
| O29 | C13 | C12 | C30 | 59.2° | 129.3° |
| O29 | C13 | C12 | C10 | 119.8° | 50.7° |
| C36 | C31 | C5 | N4 | 1.5° | 0.5° |
| C36 | C31 | C5 | C32 | 177.9° | 180.0° |
| C36 | C31 | C32 | C33 | 0.3° | 0.1° |
| C36 | C31 | C5 | C6 | 176.9° | 179.9° |
| C36 | C31 | C32 | H17 | 179.7° | 179.9° |
| C31 | C36 | C35 | H20 | 179.2° | 180.0° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C34 | C33 | C32 | H18 | 180.0° | 179.9° |
| C34 | C33 | C32 | H17 | 179.9° | 179.9° |
| C33 | C34 | C35 | H20 | 179.6° | 180.0° |
| C15 | C16 | N18 | H14 | 117.1° | 119.9° |
| C16 | C15 | N14 | H5 | 120.1° | 119.9° |
| C16 | C15 | N14 | H6 | 120.2° | 120.0° |
| C16 | C15 | N14 | C13 | 113.5° | 116.4° |
| C16 | C15 | N14 | C20 | 67.6° | 63.6° |
| C15 | C16 | N18 | C23 | 168.9° | 161.7° |
| C15 | C16 | N18 | C19 | 9.4° | 18.4° |
| C16 | C15 | H5 | H6 | 119.5° | 120.1° |
| C15 | C16 | C17 | H7 | 180.0° | 67.4° |
| C15 | C16 | C17 | H8 | 60.0° | 172.5° |
| C15 | C16 | C17 | H9 | 60.0° | 52.6° |
| N18 | C16 | C15 | N14 | 43.9° | 45.6° |
| C16 | N18 | C23 | C24 | 3.7° | 0.4° |
| C16 | N18 | C23 | C19 | 178.5° | 179.9° |
| C16 | N18 | C23 | N22 | 178.8° | 179.6° |
| C16 | N18 | C19 | C20 | 5.0° | 0.6° |
| C16 | N18 | C19 | N21 | 178.7° | 179.5° |
| N18 | C16 | C15 | H5 | 164.1° | 165.5° |
| N18 | C16 | C15 | H6 | 76.3° | 74.4° |
| N18 | C16 | C17 | H7 | 56.8° | 52.2° |
| N18 | C16 | C17 | H8 | 176.8° | 67.9° |
| N18 | C16 | C17 | H9 | 63.2° | 172.2° |
| C15 | N14 | C13 | C20 | 178.7° | 180.0° |
| C15 | N14 | C13 | C12 | 171.9° | 175.7° |
| C15 | N14 | C20 | C19 | 50.6° | 43.2° |
| N14 | C15 | H5 | H6 | 119.5° | 120.2° |
| C15 | N14 | C20 | H10 | 170.7° | 76.1° |
| C15 | N14 | C20 | H11 | 69.5° | 162.7° |
| N14 | C15 | C16 | H14 | 161.4° | 74.4° |
| S28 | C24 | C23 | N18 | 175.4° | 131.7° |
| S28 | C24 | C23 | N22 | 1.0° | 48.3° |
| C24 | S28 | C27 | H15 | 179.9° | 179.9° |
| C24 | C23 | N18 | N22 | 175.1° | 180.0° |
| C24 | C23 | N18 | C19 | 174.9° | 179.7° |
| C24 | C23 | N22 | N21 | 174.7° | 179.8° |
| N14 | C13 | C12 | C30 | 121.9° | 50.8° |
| N14 | C13 | C12 | C10 | 59.0° | 129.3° |
| C13 | N14 | C20 | C19 | 130.5° | 136.8° |
| C13 | N14 | C15 | H5 | 6.6° | 3.4° |
| C13 | N14 | C15 | H6 | 126.3° | 123.6° |
| C13 | N14 | C20 | H10 | 10.4° | 103.9° |
| C13 | N14 | C20 | H11 | 109.4° | 17.4° |
| C12 | C13 | N14 | C20 | 6.8° | 4.3° |
| C13 | C12 | C30 | C10 | 179.1° | 180.0° |
| C13 | C12 | C30 | C7 | 179.2° | 180.0° |
| C13 | C12 | C10 | F11 | 2.8° | 0.0° |
| C13 | C12 | C10 | C9 | 178.8° | 179.7° |
| C13 | C12 | C30 | H16 | 0.7° | 0.0° |
| N4 | C5 | C31 | C6 | 178.4° | 179.5° |
| N4 | C5 | C31 | C32 | 176.4° | 179.5° |
| N4 | C5 | C6 | C7 | 95.3° | 0.0° |
| C5 | N4 | N3 | H1 | 178.3° | 180.0° |
| N4 | C5 | C6 | H2 | 25.5° | 120.0° |
| N4 | C5 | C6 | H3 | 143.8° | 120.0° |
| C5 | C31 | C32 | C33 | 178.1° | 180.0° |
| C31 | C5 | C6 | C7 | 83.1° | 179.5° |
| C31 | C5 | C6 | H2 | 156.1° | 60.6° |
| C31 | C5 | C6 | H3 | 37.8° | 59.5° |
| C5 | C31 | C32 | H17 | 1.9° | 0.0° |
| C31 | C32 | C33 | H17 | 180.0° | 180.0° |
| C32 | C31 | C5 | C6 | 5.3° | 0.0° |
| C31 | C32 | C33 | H18 | 179.9° | 180.0° |
| C32 | C33 | C34 | H19 | 180.0° | 180.0° |
| N14 | C20 | C19 | N18 | 15.1° | 10.8° |
| N14 | C20 | C19 | H10 | 120.1° | 119.3° |
| N14 | C20 | C19 | H11 | 120.1° | 119.4° |
| N14 | C20 | C19 | N21 | 160.5° | 169.4° |
| C20 | N14 | C15 | H5 | 172.3° | 176.5° |
| C20 | N14 | C15 | H6 | 52.6° | 56.4° |
| N14 | C20 | H10 | H11 | 119.7° | 121.2° |
| C23 | N18 | C19 | C20 | 176.4° | 179.5° |
| C23 | N18 | C19 | N21 | 0.1° | 0.4° |
| N18 | C23 | N22 | N21 | 0.3° | 0.1° |
| C23 | N18 | C16 | H14 | 51.8° | 78.3° |
| C19 | N18 | C23 | N22 | 0.2° | 0.3° |
| N18 | C19 | C20 | N21 | 175.6° | 179.8° |
| N18 | C19 | N21 | N22 | 0.1° | 0.3° |
| N18 | C19 | C20 | H10 | 135.2° | 108.5° |
| N18 | C19 | C20 | H11 | 104.9° | 130.2° |
| C19 | N18 | C16 | H14 | 126.5° | 101.5° |
| C5 | C6 | C7 | C30 | 44.4° | 90.3° |
| C5 | C6 | C7 | H2 | 120.9° | 120.0° |
| C5 | C6 | C7 | H3 | 120.9° | 120.0° |
| C5 | C6 | C7 | C8 | 145.5° | 90.0° |
| C5 | C6 | H2 | H3 | 117.4° | 120.0° |
| C23 | N22 | N21 | C19 | 0.2° | 0.1° |
| C12 | C30 | C7 | H16 | 180.0° | 180.0° |
| C12 | C30 | C7 | C6 | 169.7° | 180.0° |
| C12 | C30 | C7 | C8 | 0.7° | 0.3° |
| C30 | C12 | C10 | F11 | 178.1° | 180.0° |
| C30 | C12 | C10 | C9 | 0.3° | 0.3° |
| C7 | C30 | C12 | C10 | 0.2° | 0.0° |
| C30 | C7 | C6 | C8 | 170.1° | 179.7° |
| C30 | C7 | C8 | C9 | 0.8° | 0.3° |
| C30 | C7 | C6 | H2 | 76.4° | 149.7° |
| C30 | C7 | C6 | H3 | 165.3° | 29.7° |
| C30 | C7 | C8 | H4 | 179.2° | 179.7° |
| C12 | C10 | F11 | C9 | 178.4° | 179.7° |
| C12 | C10 | C9 | C8 | 0.2° | 0.3° |
| C12 | C10 | C9 | H13 | 179.8° | 179.7° |
| C10 | C12 | C30 | H16 | 179.8° | 180.0° |
| C20 | C19 | N21 | N22 | 175.9° | 179.6° |
| C19 | C20 | H10 | H11 | 119.7° | 121.3° |
| N21 | C19 | C20 | H10 | 40.4° | 71.3° |
| N21 | C19 | C20 | H11 | 79.5° | 50.0° |
| C6 | C7 | C8 | C9 | 169.6° | 180.0° |
| C7 | C6 | H2 | H3 | 117.4° | 120.0° |
| C6 | C7 | C8 | H4 | 10.4° | 0.0° |
| C6 | C7 | C30 | H16 | 10.4° | 0.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | H2 | 93.7° | 30.0° |
| C8 | C7 | C6 | H3 | 24.6° | 150.0° |
| C7 | C8 | C9 | H13 | 179.6° | 180.0° |
| C8 | C7 | C30 | H16 | 179.3° | 179.7° |
| F11 | C10 | C9 | C8 | 178.2° | 180.0° |
| F11 | C10 | C9 | H13 | 1.8° | 0.1° |
| C10 | C9 | C8 | H13 | 180.0° | 180.0° |
| C10 | C9 | C8 | H4 | 179.6° | 180.0° |
| H4 | C8 | C9 | H13 | 0.3° | 0.0° |
| H5 | C15 | C16 | H14 | 78.4° | 45.5° |
| H6 | C15 | C16 | H14 | 41.2° | 165.6° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H7 | C17 | C16 | H14 | 61.6° | 172.5° |
| H8 | C17 | C16 | H14 | 58.4° | 52.4° |
| H9 | C17 | C16 | H14 | 178.4° | 67.5° |
| H12 | C26 | C27 | H15 | 0.1° | 0.3° |
| H17 | C32 | C33 | H18 | 0.1° | 0.0° |
| H18 | C33 | C34 | H19 | 0.0° | 0.1° |
| H19 | C34 | C35 | H20 | 0.4° | 0.3° |
