8FW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.48Å | |
| C20 | C15 | doub | 1.41Å | 1.37Å | Aromatic |
| C19 | N18 | doub | 1.30Å | 1.44Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | sing | 1.49Å | 1.46Å | |
| N18 | C16 | sing | 1.35Å | 1.37Å | |
| N11 | C12 | sing | 1.35Å | 1.39Å | |
| N11 | C9 | sing | 1.47Å | 1.45Å | |
| C30 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | O17 | doub | 1.21Å | 1.22Å | |
| N32 | C31 | sing | 1.36Å | 1.36Å | Aromatic |
| N32 | C24 | doub | 1.30Å | 1.36Å | Aromatic |
| C12 | O13 | doub | 1.22Å | 1.23Å | |
| C31 | C26 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C24 | sing | 1.51Å | 1.47Å | |
| C24 | N25 | sing | 1.36Å | 1.31Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | N5 | sing | 1.47Å | 1.46Å | |
| C26 | N25 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C3 | sing | 1.37Å | 1.37Å | |
| C3 | N4 | doub | 1.29Å | 1.29Å | |
| C28 | H1 | sing | 1.08Å | 1.08Å | |
| C29 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C30 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| N25 | H19 | sing | 0.97Å | 1.00Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N11 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 120.6° | 120.6° |
| C22 | C21 | C20 | 118.1° | 119.9° |
| C21 | C22 | H3 | 119.7° | 119.7° |
| C22 | C21 | H5 | 121.0° | 120.0° |
| C22 | C23 | C14 | 121.1° | 120.2° |
| C23 | C22 | H3 | 119.7° | 119.6° |
| C22 | C23 | H4 | 119.5° | 120.0° |
| C21 | C20 | C19 | 126.8° | 134.5° |
| C21 | C20 | C15 | 121.7° | 119.8° |
| C20 | C21 | H5 | 121.0° | 120.0° |
| C23 | C14 | C15 | 117.5° | 119.4° |
| C23 | C14 | C12 | 119.0° | 120.3° |
| C14 | C23 | H4 | 119.4° | 119.8° |
| C19 | C20 | C15 | 111.4° | 105.7° |
| C20 | C19 | N18 | 101.3° | 109.4° |
| C20 | C19 | H8 | 129.4° | 125.3° |
| C20 | C15 | C14 | 121.0° | 120.0° |
| C20 | C15 | C16 | 107.9° | 105.1° |
| C19 | N18 | C16 | 113.4° | 111.9° |
| N18 | C19 | H8 | 129.3° | 125.3° |
| C15 | C14 | C12 | 123.6° | 120.3° |
| C14 | C15 | C16 | 131.0° | 134.9° |
| C14 | C12 | N11 | 115.0° | 120.0° |
| C14 | C12 | O13 | 119.2° | 120.0° |
| C15 | C16 | N18 | 105.9° | 107.9° |
| C15 | C16 | O17 | 126.4° | 126.1° |
| N18 | C16 | O17 | 127.7° | 126.0° |
| C12 | N11 | C9 | 120.7° | 120.0° |
| N11 | C12 | O13 | 125.8° | 120.0° |
| C12 | N11 | H22 | 119.6° | 120.1° |
| N11 | C9 | C8 | 112.5° | 109.5° |
| N11 | C9 | C24 | 110.6° | 109.5° |
| N11 | C9 | H18 | 108.5° | 109.4° |
| C9 | N11 | H22 | 119.7° | 119.9° |
| C31 | C30 | C29 | 115.5° | 119.9° |
| C30 | C31 | N32 | 131.4° | 133.6° |
| C30 | C31 | C26 | 123.7° | 119.5° |
| C31 | C30 | H7 | 122.2° | 120.1° |
| C30 | C29 | C28 | 121.4° | 120.7° |
| C30 | C29 | H2 | 119.3° | 119.7° |
| C29 | C30 | H7 | 122.2° | 120.1° |
| C31 | N32 | C24 | 107.9° | 109.7° |
| N32 | C31 | C26 | 104.9° | 106.9° |
| N32 | C24 | C9 | 122.9° | 124.9° |
| N32 | C24 | N25 | 111.5° | 110.1° |
| C31 | C26 | N25 | 110.3° | 106.0° |
| C31 | C26 | C27 | 120.0° | 119.8° |
| C9 | C8 | C7 | 110.7° | 109.5° |
| C8 | C9 | C24 | 109.2° | 109.5° |
| C9 | C8 | H14 | 109.1° | 109.4° |
| C9 | C8 | H15 | 109.2° | 109.4° |
| C8 | C9 | H18 | 107.7° | 109.5° |
| C8 | C7 | C6 | 108.5° | 109.5° |
| C8 | C7 | H12 | 109.7° | 109.5° |
| C8 | C7 | H13 | 109.7° | 109.5° |
| C7 | C8 | H14 | 109.1° | 109.5° |
| C7 | C8 | H15 | 109.2° | 109.5° |
| C29 | C28 | C27 | 122.6° | 120.4° |
| C29 | C28 | H1 | 118.7° | 119.8° |
| C28 | C29 | H2 | 119.3° | 119.6° |
| C9 | C24 | N25 | 125.6° | 125.0° |
| C24 | C9 | H18 | 108.3° | 109.4° |
| C24 | N25 | C26 | 105.4° | 107.3° |
| C24 | N25 | H19 | 127.3° | 126.3° |
| C2 | C3 | N5 | 120.1° | 120.0° |
| C2 | C3 | N4 | 115.3° | 120.0° |
| C3 | C2 | H9 | 109.5° | 109.4° |
| C3 | C2 | H10 | 109.5° | 109.5° |
| C3 | C2 | H11 | 109.5° | 109.5° |
| C7 | C6 | N5 | 108.8° | 109.5° |
| C6 | C7 | H12 | 109.7° | 109.4° |
| C6 | C7 | H13 | 109.7° | 109.5° |
| C7 | C6 | H16 | 109.6° | 109.5° |
| C7 | C6 | H17 | 109.6° | 109.5° |
| C6 | N5 | C3 | 122.6° | 120.0° |
| N5 | C6 | H16 | 109.6° | 109.4° |
| N5 | C6 | H17 | 109.7° | 109.4° |
| C6 | N5 | H23 | 118.7° | 120.0° |
| N25 | C26 | C27 | 129.7° | 134.2° |
| C26 | N25 | H19 | 127.3° | 126.4° |
| C26 | C27 | C28 | 116.7° | 119.7° |
| C26 | C27 | H6 | 121.6° | 120.1° |
| C27 | C28 | H1 | 118.7° | 119.7° |
| C28 | C27 | H6 | 121.7° | 120.1° |
| N5 | C3 | N4 | 124.6° | 120.0° |
| C3 | N5 | H23 | 118.7° | 120.0° |
| C3 | N4 | H20 | 112.0° | 120.0° |
| H9 | C2 | H10 | 109.5° | 109.4° |
| H9 | C2 | H11 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C6 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H3 | 180.0° | 179.7° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C21 | C22 | C23 | C14 | 0.3° | 0.0° |
| C22 | C21 | C20 | C19 | 179.9° | 180.0° |
| C22 | C21 | C20 | C15 | 0.2° | 0.1° |
| C21 | C22 | C23 | H4 | 179.7° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C22 | C23 | C14 | H4 | 180.0° | 180.0° |
| C22 | C23 | C14 | C15 | 0.7° | 0.1° |
| C22 | C23 | C14 | C12 | 179.8° | 179.9° |
| C23 | C22 | C21 | H5 | 179.9° | 180.0° |
| C21 | C20 | C19 | C15 | 179.9° | 179.9° |
| C21 | C20 | C19 | N18 | 179.0° | 179.9° |
| C21 | C20 | C15 | C14 | 0.1° | 0.0° |
| C21 | C20 | C15 | C16 | 179.6° | 179.9° |
| C20 | C21 | C22 | H3 | 179.9° | 179.7° |
| C21 | C20 | C19 | H8 | 1.0° | 0.0° |
| C23 | C14 | C15 | C20 | 0.6° | 0.1° |
| C23 | C14 | C15 | C12 | 179.5° | 179.9° |
| C23 | C14 | C15 | C16 | 179.9° | 179.9° |
| C23 | C14 | C12 | N11 | 43.1° | 0.1° |
| C23 | C14 | C12 | O13 | 135.8° | 179.9° |
| C14 | C23 | C22 | H3 | 179.7° | 179.7° |
| C20 | C19 | N18 | H8 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 179.8° | 179.9° |
| C19 | C20 | C15 | C16 | 0.3° | 0.0° |
| C20 | C19 | N18 | C16 | 2.3° | 0.0° |
| C19 | C20 | C21 | H5 | 0.2° | 0.1° |
| C15 | C20 | C19 | N18 | 1.1° | 0.0° |
| C20 | C15 | C14 | C16 | 179.3° | 179.8° |
| C20 | C15 | C14 | C12 | 180.0° | 179.9° |
| C20 | C15 | C16 | N18 | 1.7° | 0.0° |
| C20 | C15 | C16 | O17 | 176.5° | 180.0° |
| C15 | C20 | C21 | H5 | 179.7° | 180.0° |
| C15 | C20 | C19 | H8 | 178.9° | 179.9° |
| C19 | N18 | C16 | C15 | 2.6° | 0.0° |
| C19 | N18 | C16 | O17 | 175.6° | 180.0° |
| C14 | C15 | C16 | N18 | 178.9° | 179.9° |
| C15 | C14 | C12 | N11 | 137.5° | 179.9° |
| C14 | C15 | C16 | O17 | 2.9° | 0.2° |
| C15 | C14 | C12 | O13 | 43.7° | 0.1° |
| C15 | C14 | C23 | H4 | 179.3° | 180.0° |
| C12 | C14 | C15 | C16 | 0.7° | 0.2° |
| C14 | C12 | N11 | O13 | 178.8° | 180.0° |
| C14 | C12 | N11 | C9 | 172.6° | 180.0° |
| C12 | C14 | C23 | H4 | 0.1° | 0.1° |
| C14 | C12 | N11 | H22 | 7.4° | 0.1° |
| C15 | C16 | N18 | O17 | 178.2° | 179.9° |
| C16 | N18 | C19 | H8 | 177.7° | 179.9° |
| C12 | N11 | C9 | H22 | 180.0° | 180.0° |
| C12 | N11 | C9 | C8 | 163.5° | 155.0° |
| C12 | N11 | C9 | C24 | 74.1° | 84.9° |
| C12 | N11 | C9 | H18 | 44.5° | 35.0° |
| N11 | C9 | C24 | N32 | 41.0° | 175.9° |
| C9 | N11 | C12 | O13 | 6.2° | 0.0° |
| N11 | C9 | C8 | C24 | 123.2° | 120.0° |
| N11 | C9 | C8 | H18 | 119.5° | 120.0° |
| N11 | C9 | C8 | C7 | 156.5° | 65.0° |
| N11 | C9 | C24 | H18 | 118.7° | 119.9° |
| N11 | C9 | C24 | N25 | 139.3° | 4.9° |
| N11 | C9 | C8 | H14 | 36.3° | 175.0° |
| N11 | C9 | C8 | H15 | 83.3° | 55.0° |
| C31 | C30 | C29 | H7 | 180.0° | 179.8° |
| C30 | C31 | N32 | C26 | 179.8° | 179.7° |
| C30 | C31 | N32 | C24 | 179.9° | 179.4° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C30 | C31 | C26 | N25 | 179.9° | 179.9° |
| C30 | C31 | C26 | C27 | 0.1° | 0.5° |
| C31 | C30 | C29 | H2 | 179.9° | 180.0° |
| C29 | C30 | C31 | N32 | 179.8° | 180.0° |
| C29 | C30 | C31 | C26 | 0.0° | 0.3° |
| C30 | C29 | C28 | H2 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | H1 | 179.9° | 179.7° |
| C31 | N32 | C24 | C9 | 179.9° | 180.0° |
| C31 | N32 | C24 | N25 | 0.3° | 0.7° |
| N32 | C31 | C26 | N25 | 0.0° | 0.1° |
| N32 | C31 | C26 | C27 | 179.9° | 179.7° |
| N32 | C31 | C30 | H7 | 0.2° | 0.3° |
| C24 | N32 | C31 | C26 | 0.2° | 0.4° |
| N32 | C24 | C9 | C8 | 83.4° | 55.8° |
| N32 | C24 | C9 | N25 | 179.8° | 179.2° |
| N32 | C24 | N25 | C26 | 0.3° | 0.7° |
| N32 | C24 | C9 | H18 | 159.7° | 64.2° |
| N32 | C24 | N25 | H19 | 179.7° | 179.3° |
| O13 | C12 | N11 | H22 | 173.8° | 179.9° |
| C31 | C26 | N25 | C24 | 0.2° | 0.5° |
| C31 | C26 | N25 | C27 | 180.0° | 179.5° |
| C31 | C26 | C27 | C28 | 0.1° | 0.5° |
| C31 | C26 | C27 | H6 | 180.0° | 179.4° |
| C26 | C31 | C30 | H7 | 180.0° | 180.0° |
| C31 | C26 | N25 | H19 | 179.8° | 179.5° |
| C9 | C8 | C7 | H14 | 120.2° | 120.0° |
| C9 | C8 | C7 | H15 | 120.2° | 119.9° |
| C8 | C9 | C24 | H18 | 117.0° | 120.0° |
| C8 | C9 | C24 | N25 | 96.4° | 125.0° |
| C9 | C8 | C7 | C6 | 164.1° | 180.0° |
| C9 | C8 | C7 | H12 | 76.0° | 60.0° |
| C9 | C8 | C7 | H13 | 44.3° | 59.9° |
| C9 | C8 | H14 | H15 | 119.4° | 120.0° |
| C8 | C9 | N11 | H22 | 16.5° | 25.0° |
| C7 | C8 | C9 | C24 | 80.3° | 175.0° |
| C8 | C7 | C6 | H12 | 119.8° | 120.0° |
| C8 | C7 | C6 | H13 | 119.8° | 120.0° |
| C8 | C7 | C6 | N5 | 138.0° | 180.0° |
| C8 | C7 | H12 | H13 | 120.5° | 120.0° |
| C7 | C8 | H14 | H15 | 119.4° | 120.0° |
| C8 | C7 | C6 | H16 | 102.1° | 60.1° |
| C8 | C7 | C6 | H17 | 18.1° | 60.0° |
| C7 | C8 | C9 | H18 | 37.0° | 55.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.2° |
| C29 | C28 | C27 | H1 | 180.0° | 179.8° |
| C29 | C28 | C27 | H6 | 180.0° | 179.6° |
| C28 | C29 | C30 | H7 | 179.9° | 179.8° |
| C9 | C24 | N25 | C26 | 179.9° | 180.0° |
| C24 | C9 | C8 | H14 | 159.5° | 55.0° |
| C24 | C9 | C8 | H15 | 39.9° | 65.0° |
| C9 | C24 | N25 | H19 | 0.1° | 0.0° |
| C24 | C9 | N11 | H22 | 105.9° | 95.1° |
| C24 | N25 | C26 | H19 | 180.0° | 180.0° |
| C24 | N25 | C26 | C27 | 179.9° | 180.0° |
| N25 | C24 | C9 | H18 | 20.6° | 115.0° |
| C2 | C3 | N5 | C6 | 36.9° | 180.0° |
| C2 | C3 | N5 | N4 | 179.5° | 180.0° |
| C3 | C2 | H9 | H10 | 120.0° | 119.9° |
| C3 | C2 | H9 | H11 | 120.0° | 120.0° |
| C3 | C2 | H10 | H11 | 120.0° | 120.0° |
| C2 | C3 | N4 | H20 | 179.5° | 180.0° |
| C2 | C3 | N5 | H23 | 143.1° | 0.0° |
| C7 | C6 | N5 | H16 | 119.9° | 120.0° |
| C7 | C6 | N5 | H17 | 119.9° | 120.0° |
| C7 | C6 | N5 | C3 | 167.5° | 180.0° |
| C6 | C7 | H12 | H13 | 120.4° | 120.0° |
| C6 | C7 | C8 | H14 | 44.0° | 60.0° |
| C6 | C7 | C8 | H15 | 75.6° | 60.1° |
| C7 | C6 | H16 | H17 | 120.3° | 120.1° |
| C7 | C6 | N5 | H23 | 12.5° | 0.0° |
| C6 | N5 | C3 | H23 | 180.0° | 180.0° |
| C6 | N5 | C3 | N4 | 143.6° | 0.0° |
| N5 | C6 | C7 | H12 | 18.1° | 60.0° |
| N5 | C6 | C7 | H13 | 102.2° | 60.0° |
| N5 | C6 | H16 | H17 | 120.3° | 119.9° |
| N25 | C26 | C27 | C28 | 179.9° | 180.0° |
| N25 | C26 | C27 | H6 | 0.1° | 0.1° |
| C26 | C27 | C28 | H6 | 180.0° | 179.9° |
| C26 | C27 | C28 | H1 | 180.0° | 180.0° |
| C27 | C26 | N25 | H19 | 0.1° | 0.0° |
| C27 | C28 | C29 | H2 | 179.9° | 180.0° |
| N5 | C3 | C2 | H9 | 180.0° | 90.0° |
| N5 | C3 | C2 | H10 | 60.0° | 29.9° |
| N5 | C3 | C2 | H11 | 60.0° | 150.0° |
| C3 | N5 | C6 | H16 | 47.6° | 60.0° |
| C3 | N5 | C6 | H17 | 72.6° | 60.0° |
| N5 | C3 | N4 | H20 | 0.0° | 0.0° |
| N4 | C3 | C2 | H9 | 0.4° | 90.0° |
| N4 | C3 | C2 | H10 | 120.4° | 150.0° |
| N4 | C3 | C2 | H11 | 119.6° | 30.0° |
| N4 | C3 | N5 | H23 | 36.5° | 180.0° |
| H1 | C28 | C29 | H2 | 0.1° | 0.3° |
| H1 | C28 | C27 | H6 | 0.0° | 0.1° |
| H2 | C29 | C30 | H7 | 0.1° | 0.2° |
| H3 | C22 | C23 | H4 | 0.3° | 0.3° |
| H3 | C22 | C21 | H5 | 0.1° | 0.4° |
| H9 | C2 | H10 | H11 | 120.0° | 120.0° |
| H12 | C7 | C8 | H14 | 163.8° | 59.9° |
| H12 | C7 | C8 | H15 | 44.2° | 180.0° |
| H12 | C7 | C6 | H16 | 138.0° | 179.9° |
| H12 | C7 | C6 | H17 | 101.8° | 60.0° |
| H13 | C7 | C8 | H14 | 75.8° | 179.9° |
| H13 | C7 | C8 | H15 | 164.5° | 60.0° |
| H13 | C7 | C6 | H16 | 17.7° | 60.0° |
| H13 | C7 | C6 | H17 | 137.9° | 180.0° |
| H14 | C8 | C9 | H18 | 83.1° | 65.0° |
| H15 | C8 | C9 | H18 | 157.2° | 175.0° |
| H16 | C6 | N5 | H23 | 132.4° | 120.0° |
| H17 | C6 | N5 | H23 | 107.3° | 120.0° |
| H18 | C9 | N11 | H22 | 135.5° | 145.0° |
