6FI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| N23 | C22 | sing | 1.47Å | 1.47Å | |
| N23 | C25 | sing | 1.47Å | 1.46Å | |
| C20 | O19 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| O19 | C14 | sing | 1.36Å | 1.41Å | |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C05 | sing | 1.48Å | 1.56Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| N17 | C03 | sing | 1.39Å | 1.46Å | |
| C05 | N06 | sing | 1.33Å | 1.32Å | Aromatic |
| C03 | N02 | doub | 1.33Å | 1.32Å | Aromatic |
| N06 | C01 | doub | 1.32Å | 1.33Å | Aromatic |
| N02 | C01 | sing | 1.32Å | 1.31Å | Aromatic |
| C01 | S07 | sing | 1.76Å | 1.80Å | |
| S07 | O09 | doub | 1.42Å | 1.46Å | |
| S07 | C08 | sing | 1.81Å | 1.81Å | |
| S07 | O10 | doub | 1.42Å | 1.47Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| N17 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N23 | C22 | 110.7° | 111.0° |
| C24 | N23 | C25 | 109.9° | 111.1° |
| N23 | C24 | H9 | 109.5° | 109.4° |
| N23 | C24 | H10 | 109.5° | 109.5° |
| N23 | C24 | H11 | 109.5° | 109.5° |
| C22 | C21 | C20 | 113.2° | 109.5° |
| C21 | C22 | N23 | 111.6° | 109.5° |
| C22 | C21 | H5 | 108.5° | 109.5° |
| C22 | C21 | H6 | 108.5° | 109.4° |
| C21 | C22 | H7 | 108.9° | 109.5° |
| C21 | C22 | H8 | 108.9° | 109.5° |
| C21 | C20 | O19 | 106.9° | 109.5° |
| C21 | C20 | H3 | 110.1° | 109.5° |
| C21 | C20 | H4 | 110.1° | 109.4° |
| C20 | C21 | H5 | 108.5° | 109.5° |
| C20 | C21 | H6 | 108.6° | 109.5° |
| C22 | N23 | C25 | 109.5° | 111.0° |
| N23 | C22 | H7 | 108.9° | 109.5° |
| N23 | C22 | H8 | 109.0° | 109.5° |
| N23 | C25 | H21 | 109.5° | 109.4° |
| N23 | C25 | H22 | 109.5° | 109.5° |
| N23 | C25 | H23 | 109.5° | 109.5° |
| C20 | O19 | C14 | 116.1° | 117.0° |
| O19 | C20 | H3 | 110.1° | 109.5° |
| O19 | C20 | H4 | 110.1° | 109.5° |
| C16 | C15 | C14 | 119.6° | 120.1° |
| C15 | C16 | C11 | 119.6° | 119.9° |
| C16 | C15 | H2 | 120.2° | 119.9° |
| C15 | C16 | H17 | 120.2° | 120.0° |
| C15 | C14 | O19 | 122.6° | 119.9° |
| C15 | C14 | C13 | 120.7° | 120.1° |
| C14 | C15 | H2 | 120.2° | 120.0° |
| O19 | C14 | C13 | 116.7° | 119.9° |
| C16 | C11 | C12 | 120.1° | 119.9° |
| C16 | C11 | C05 | 122.4° | 120.0° |
| C11 | C16 | H17 | 120.2° | 120.1° |
| C14 | C13 | C12 | 119.5° | 120.1° |
| C14 | C13 | H1 | 120.3° | 119.9° |
| C18 | N17 | C03 | 119.6° | 120.0° |
| N17 | C18 | H18 | 109.5° | 109.4° |
| N17 | C18 | H19 | 109.4° | 109.5° |
| N17 | C18 | H20 | 109.4° | 109.5° |
| C18 | N17 | H24 | 106.9° | 120.0° |
| C12 | C11 | C05 | 117.4° | 120.1° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C11 | C12 | H16 | 119.8° | 120.0° |
| C11 | C05 | C04 | 123.1° | 120.5° |
| C11 | C05 | N06 | 118.6° | 120.5° |
| C12 | C13 | H1 | 120.2° | 120.0° |
| C13 | C12 | H16 | 119.8° | 120.1° |
| C05 | C04 | C03 | 117.5° | 118.3° |
| C04 | C05 | N06 | 118.2° | 118.9° |
| C05 | C04 | H12 | 121.2° | 120.9° |
| C04 | C03 | N17 | 119.8° | 120.5° |
| C04 | C03 | N02 | 121.3° | 119.0° |
| C03 | C04 | H12 | 121.2° | 120.9° |
| N17 | C03 | N02 | 118.9° | 120.5° |
| C03 | N17 | H24 | 106.9° | 120.0° |
| C05 | N06 | C01 | 122.1° | 120.9° |
| C03 | N02 | C01 | 118.5° | 121.0° |
| N06 | C01 | N02 | 122.3° | 122.0° |
| N06 | C01 | S07 | 118.5° | 119.0° |
| N02 | C01 | S07 | 119.2° | 119.0° |
| C01 | S07 | O09 | 109.1° | 104.3° |
| C01 | S07 | C08 | 111.8° | 104.4° |
| C01 | S07 | O10 | 110.3° | 104.2° |
| O09 | S07 | C08 | 109.4° | 110.6° |
| O09 | S07 | O10 | 104.7° | 121.0° |
| C08 | S07 | O10 | 111.2° | 110.6° |
| S07 | C08 | H13 | 109.5° | 109.4° |
| S07 | C08 | H14 | 109.5° | 109.5° |
| S07 | C08 | H15 | 109.5° | 109.4° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.4° | 109.5° |
| H13 | C08 | H14 | 109.4° | 109.5° |
| H13 | C08 | H15 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.4° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N23 | C22 | C21 | 64.5° | 66.0° |
| C24 | N23 | C22 | C25 | 121.3° | 124.0° |
| C24 | N23 | C22 | H7 | 175.2° | 54.0° |
| C24 | N23 | C22 | H8 | 55.8° | 174.0° |
| N23 | C24 | H9 | H10 | 120.0° | 120.0° |
| N23 | C24 | H9 | H11 | 120.0° | 120.0° |
| N23 | C24 | H10 | H11 | 120.0° | 120.1° |
| C24 | N23 | C25 | H21 | 180.0° | 63.9° |
| C24 | N23 | C25 | H22 | 60.0° | 176.0° |
| C24 | N23 | C25 | H23 | 60.0° | 56.0° |
| C22 | C21 | C20 | H5 | 120.6° | 120.0° |
| C22 | C21 | C20 | H6 | 120.5° | 120.0° |
| C21 | C22 | N23 | H7 | 120.3° | 120.0° |
| C21 | C22 | N23 | H8 | 120.3° | 120.0° |
| C21 | C22 | N23 | C25 | 174.2° | 170.0° |
| C22 | C21 | C20 | O19 | 50.9° | 180.0° |
| C22 | C21 | C20 | H3 | 68.7° | 60.0° |
| C22 | C21 | C20 | H4 | 170.5° | 60.0° |
| C22 | C21 | H5 | H6 | 118.3° | 120.0° |
| C21 | C22 | H7 | H8 | 119.0° | 120.0° |
| C20 | C21 | C22 | N23 | 39.3° | 180.0° |
| C21 | C20 | O19 | H3 | 119.6° | 120.0° |
| C21 | C20 | O19 | H4 | 119.6° | 119.9° |
| C21 | C20 | O19 | C14 | 172.8° | 180.0° |
| C21 | C20 | H3 | H4 | 121.2° | 120.0° |
| C20 | C21 | H5 | H6 | 118.3° | 120.0° |
| C20 | C21 | C22 | H7 | 81.0° | 60.0° |
| C20 | C21 | C22 | H8 | 159.6° | 60.0° |
| N23 | C22 | C21 | H5 | 81.3° | 60.0° |
| N23 | C22 | C21 | H6 | 159.8° | 60.0° |
| N23 | C22 | H7 | H8 | 119.0° | 120.0° |
| C22 | N23 | C24 | H9 | 180.0° | 60.1° |
| C22 | N23 | C24 | H10 | 60.0° | 180.0° |
| C22 | N23 | C24 | H11 | 60.0° | 59.9° |
| C22 | N23 | C25 | H21 | 58.1° | 60.1° |
| C22 | N23 | C25 | H22 | 61.9° | 60.0° |
| C22 | N23 | C25 | H23 | 178.1° | 180.0° |
| C25 | N23 | C22 | H7 | 53.8° | 70.0° |
| C25 | N23 | C22 | H8 | 65.5° | 49.9° |
| C25 | N23 | C24 | H9 | 58.9° | 63.9° |
| C25 | N23 | C24 | H10 | 61.1° | 56.0° |
| C25 | N23 | C24 | H11 | 178.9° | 176.0° |
| N23 | C25 | H21 | H22 | 120.0° | 120.0° |
| N23 | C25 | H21 | H23 | 120.0° | 120.0° |
| N23 | C25 | H22 | H23 | 120.0° | 120.0° |
| C20 | O19 | C14 | C15 | 15.3° | 180.0° |
| C20 | O19 | C14 | C13 | 164.0° | 0.1° |
| O19 | C20 | H3 | H4 | 121.2° | 120.0° |
| O19 | C20 | C21 | H5 | 171.5° | 60.1° |
| O19 | C20 | C21 | H6 | 69.6° | 60.0° |
| C16 | C15 | C14 | H2 | 180.0° | 179.8° |
| C16 | C15 | C14 | O19 | 180.0° | 180.0° |
| C15 | C16 | C11 | H17 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C15 | C16 | C11 | C12 | 1.1° | 0.5° |
| C15 | C16 | C11 | C05 | 178.4° | 180.0° |
| C15 | C14 | O19 | C13 | 179.3° | 180.0° |
| C14 | C15 | C16 | C11 | 0.1° | 0.3° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H1 | 179.9° | 179.7° |
| C14 | C15 | C16 | H17 | 179.9° | 180.0° |
| O19 | C14 | C13 | C12 | 179.4° | 180.0° |
| O19 | C14 | C13 | H1 | 0.6° | 0.2° |
| O19 | C14 | C15 | H2 | 0.1° | 0.2° |
| C14 | O19 | C20 | H3 | 53.2° | 60.0° |
| C14 | O19 | C20 | H4 | 67.6° | 60.1° |
| C16 | C11 | C12 | C05 | 177.5° | 179.5° |
| C16 | C11 | C12 | C13 | 1.7° | 0.5° |
| C16 | C11 | C05 | C04 | 9.4° | 0.5° |
| C16 | C11 | C05 | N06 | 168.1° | 179.7° |
| C11 | C16 | C15 | H2 | 179.9° | 180.0° |
| C16 | C11 | C12 | H16 | 178.3° | 179.5° |
| C14 | C13 | C12 | C11 | 1.1° | 0.2° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | H2 | 179.3° | 179.8° |
| C14 | C13 | C12 | H16 | 178.8° | 179.8° |
| C18 | N17 | C03 | C04 | 8.9° | 0.0° |
| C18 | N17 | C03 | H24 | 121.4° | 179.9° |
| C18 | N17 | C03 | N02 | 171.0° | 179.9° |
| N17 | C18 | H18 | H19 | 120.0° | 120.0° |
| N17 | C18 | H18 | H20 | 120.0° | 120.0° |
| N17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C12 | C11 | C05 | C04 | 173.1° | 180.0° |
| C12 | C11 | C05 | N06 | 9.4° | 0.2° |
| C11 | C12 | C13 | H1 | 178.9° | 180.0° |
| C12 | C11 | C16 | H17 | 179.0° | 179.8° |
| C05 | C11 | C12 | C13 | 179.2° | 180.0° |
| C11 | C05 | C04 | N06 | 177.5° | 179.8° |
| C11 | C05 | C04 | C03 | 179.0° | 179.9° |
| C11 | C05 | N06 | C01 | 179.5° | 179.7° |
| C11 | C05 | C04 | H12 | 0.9° | 0.3° |
| C05 | C11 | C12 | H16 | 0.8° | 0.0° |
| C05 | C11 | C16 | H17 | 1.6° | 0.2° |
| C05 | C04 | C03 | H12 | 180.0° | 179.7° |
| C05 | C04 | C03 | N17 | 179.3° | 179.7° |
| C05 | C04 | C03 | N02 | 0.7° | 0.3° |
| C04 | C05 | N06 | C01 | 1.9° | 0.1° |
| C04 | C03 | N17 | N02 | 180.0° | 179.9° |
| C03 | C04 | C05 | N06 | 1.5° | 0.3° |
| C04 | C03 | N02 | C01 | 0.2° | 0.1° |
| C04 | C03 | N17 | H24 | 112.5° | 179.9° |
| N17 | C03 | N02 | C01 | 179.8° | 180.0° |
| N17 | C03 | C04 | H12 | 0.7° | 0.0° |
| C03 | N17 | C18 | H18 | 180.0° | 60.0° |
| C03 | N17 | C18 | H19 | 60.0° | 60.0° |
| C03 | N17 | C18 | H20 | 60.0° | 180.0° |
| C05 | N06 | C01 | N02 | 1.4° | 0.4° |
| C05 | N06 | C01 | S07 | 179.6° | 180.0° |
| N06 | C05 | C04 | H12 | 178.4° | 179.9° |
| C03 | N02 | C01 | N06 | 0.5° | 0.3° |
| C03 | N02 | C01 | S07 | 178.7° | 180.0° |
| N02 | C03 | C04 | H12 | 179.3° | 180.0° |
| N02 | C03 | N17 | H24 | 67.6° | 0.0° |
| N06 | C01 | N02 | S07 | 178.2° | 179.7° |
| N06 | C01 | S07 | O09 | 86.4° | 25.8° |
| N06 | C01 | S07 | C08 | 34.7° | 90.3° |
| N06 | C01 | S07 | O10 | 159.0° | 153.6° |
| N02 | C01 | S07 | O09 | 91.8° | 153.9° |
| N02 | C01 | S07 | C08 | 147.0° | 90.0° |
| N02 | C01 | S07 | O10 | 22.8° | 26.1° |
| C01 | S07 | O09 | C08 | 122.6° | 111.8° |
| C01 | S07 | O09 | O10 | 118.1° | 116.7° |
| C01 | S07 | C08 | O10 | 123.8° | 111.6° |
| C01 | S07 | C08 | H13 | 180.0° | 60.0° |
| C01 | S07 | C08 | H14 | 60.0° | 180.0° |
| C01 | S07 | C08 | H15 | 60.0° | 60.0° |
| O09 | S07 | C08 | O10 | 115.2° | 136.8° |
| O09 | S07 | C08 | H13 | 59.0° | 51.6° |
| O09 | S07 | C08 | H14 | 61.0° | 68.3° |
| O09 | S07 | C08 | H15 | 179.0° | 171.6° |
| S07 | C08 | H13 | H14 | 120.0° | 120.0° |
| S07 | C08 | H13 | H15 | 120.0° | 120.0° |
| S07 | C08 | H14 | H15 | 120.0° | 120.0° |
| O10 | S07 | C08 | H13 | 56.2° | 171.6° |
| O10 | S07 | C08 | H14 | 176.2° | 68.4° |
| O10 | S07 | C08 | H15 | 63.8° | 51.6° |
| H1 | C13 | C12 | H16 | 1.2° | 0.0° |
| H2 | C15 | C16 | H17 | 0.1° | 0.2° |
| H3 | C20 | C21 | H5 | 51.9° | 60.0° |
| H3 | C20 | C21 | H6 | 170.8° | 180.0° |
| H4 | C20 | C21 | H5 | 68.9° | 180.0° |
| H4 | C20 | C21 | H6 | 50.0° | 60.0° |
| H5 | C21 | C22 | H7 | 158.4° | 180.0° |
| H5 | C21 | C22 | H8 | 39.0° | 60.0° |
| H6 | C21 | C22 | H7 | 39.5° | 60.0° |
| H6 | C21 | C22 | H8 | 79.8° | 180.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.0° |
| H13 | C08 | H14 | H15 | 120.0° | 120.0° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H18 | C18 | N17 | H24 | 58.6° | 120.1° |
| H19 | C18 | N17 | H24 | 61.4° | 119.9° |
| H20 | C18 | N17 | H24 | 178.6° | 0.1° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
