Z5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | doub | 1.22Å | 1.18Å | |
| C18 | N17 | sing | 1.46Å | 1.45Å | |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| O33 | C10 | doub | 1.22Å | 1.18Å | |
| C19 | N17 | sing | 1.35Å | 1.47Å | |
| C19 | N14 | sing | 1.34Å | 1.47Å | |
| N17 | C16 | sing | 1.47Å | 1.44Å | |
| F24 | C23 | sing | 1.40Å | 1.36Å | |
| C10 | N02 | sing | 1.35Å | 1.45Å | |
| C10 | O11 | sing | 1.35Å | 1.40Å | |
| N02 | C03 | sing | 1.40Å | 1.45Å | |
| N14 | C13 | sing | 1.40Å | 1.45Å | |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| C16 | C15 | sing | 1.54Å | 1.50Å | |
| F25 | C23 | sing | 1.40Å | 1.37Å | |
| C21 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | F26 | sing | 1.40Å | 1.37Å | |
| C22 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| F32 | C29 | sing | 1.40Å | 1.36Å | |
| C12 | O11 | sing | 1.36Å | 1.40Å | |
| C12 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C03 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | F31 | sing | 1.40Å | 1.37Å | |
| C29 | F30 | sing | 1.40Å | 1.36Å | |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | F07 | sing | 1.35Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | N17 | 125.7° | 123.0° |
| O20 | C19 | N14 | 126.1° | 123.1° |
| C18 | N17 | C19 | 126.1° | 125.4° |
| C18 | N17 | C16 | 125.7° | 125.5° |
| N17 | C18 | H10 | 109.5° | 109.5° |
| N17 | C18 | H11 | 109.4° | 109.5° |
| N17 | C18 | H12 | 109.5° | 109.5° |
| C01 | N02 | C10 | 121.1° | 120.0° |
| C01 | N02 | C03 | 121.1° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| O33 | C10 | N02 | 120.8° | 120.0° |
| O33 | C10 | O11 | 121.1° | 120.0° |
| N17 | C19 | N14 | 108.2° | 113.8° |
| C19 | N17 | C16 | 108.2° | 109.1° |
| C19 | N14 | C13 | 126.2° | 125.4° |
| C19 | N14 | C15 | 107.8° | 109.2° |
| N17 | C16 | C15 | 107.6° | 103.9° |
| N17 | C16 | H9 | 109.9° | 110.5° |
| N17 | C16 | H16 | 109.9° | 110.7° |
| F24 | C23 | F25 | 109.4° | 109.4° |
| F24 | C23 | C22 | 109.0° | 109.4° |
| F24 | C23 | F26 | 109.7° | 109.4° |
| N02 | C10 | O11 | 118.0° | 120.0° |
| C10 | N02 | C03 | 117.9° | 120.0° |
| C10 | O11 | C12 | 116.3° | 117.0° |
| N02 | C03 | C09 | 119.6° | 120.0° |
| N02 | C03 | C04 | 120.2° | 120.0° |
| C13 | N14 | C15 | 125.9° | 125.4° |
| N14 | C13 | C21 | 119.8° | 120.1° |
| N14 | C13 | C12 | 120.4° | 120.1° |
| N14 | C15 | C16 | 108.2° | 104.0° |
| N14 | C15 | H8 | 109.8° | 110.5° |
| N14 | C15 | H15 | 109.8° | 110.5° |
| C16 | C15 | H8 | 109.8° | 110.6° |
| C15 | C16 | H9 | 109.9° | 110.6° |
| C16 | C15 | H15 | 109.8° | 110.6° |
| C15 | C16 | H16 | 110.0° | 110.6° |
| F25 | C23 | C22 | 109.5° | 109.5° |
| F25 | C23 | F26 | 109.8° | 109.5° |
| C13 | C21 | C22 | 120.1° | 120.0° |
| C21 | C13 | C12 | 119.8° | 119.8° |
| C13 | C21 | H13 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.9° | 119.9° |
| C21 | C22 | C27 | 120.2° | 120.2° |
| C22 | C21 | H13 | 120.0° | 120.0° |
| C13 | C12 | O11 | 119.6° | 120.0° |
| C13 | C12 | C28 | 120.1° | 119.9° |
| C22 | C23 | F26 | 109.4° | 109.5° |
| C23 | C22 | C27 | 119.9° | 119.9° |
| C22 | C27 | C28 | 120.0° | 120.2° |
| C22 | C27 | H14 | 120.0° | 119.9° |
| F32 | C29 | C28 | 109.8° | 109.4° |
| F32 | C29 | F31 | 109.5° | 109.5° |
| F32 | C29 | F30 | 109.3° | 109.5° |
| O11 | C12 | C28 | 120.3° | 120.1° |
| C12 | C28 | C27 | 119.9° | 120.0° |
| C12 | C28 | C29 | 121.0° | 120.0° |
| C27 | C28 | C29 | 119.1° | 120.0° |
| C28 | C27 | H14 | 120.0° | 119.9° |
| C28 | C29 | F31 | 109.0° | 109.5° |
| C28 | C29 | F30 | 110.2° | 109.5° |
| C09 | C03 | C04 | 120.1° | 119.9° |
| C03 | C09 | C08 | 119.9° | 119.9° |
| C03 | C09 | H7 | 120.1° | 120.1° |
| C03 | C04 | C05 | 119.9° | 119.9° |
| C03 | C04 | H4 | 120.0° | 120.0° |
| F31 | C29 | F30 | 109.1° | 109.5° |
| C09 | C08 | C06 | 120.0° | 120.1° |
| C09 | C08 | H6 | 120.0° | 120.0° |
| C08 | C09 | H7 | 120.0° | 120.0° |
| C04 | C05 | C06 | 119.9° | 120.0° |
| C05 | C04 | H4 | 120.0° | 120.0° |
| C04 | C05 | H5 | 120.0° | 120.0° |
| C08 | C06 | C05 | 120.1° | 120.1° |
| C08 | C06 | F07 | 119.9° | 119.9° |
| C06 | C08 | H6 | 120.0° | 120.0° |
| C05 | C06 | F07 | 120.0° | 120.0° |
| C06 | C05 | H5 | 120.0° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C15 | H15 | 109.4° | 110.5° |
| H9 | C16 | H16 | 109.5° | 110.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H10 | C18 | H12 | 109.4° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | N17 | C18 | 0.0° | 0.0° |
| O20 | C19 | N17 | N14 | 179.9° | 180.0° |
| O20 | C19 | N17 | C16 | 180.0° | 180.0° |
| O20 | C19 | N14 | C13 | 0.2° | 0.0° |
| O20 | C19 | N14 | C15 | 179.9° | 180.0° |
| C18 | N17 | C19 | C16 | 180.0° | 180.0° |
| C18 | N17 | C19 | N14 | 179.9° | 180.0° |
| C18 | N17 | C16 | C15 | 179.9° | 180.0° |
| C18 | N17 | C16 | H9 | 60.2° | 61.4° |
| N17 | C18 | H10 | H11 | 120.0° | 120.0° |
| N17 | C18 | H10 | H12 | 120.0° | 120.0° |
| N17 | C18 | H11 | H12 | 120.0° | 120.0° |
| C18 | N17 | C16 | H16 | 60.4° | 61.2° |
| C01 | N02 | C10 | O33 | 4.7° | 175.0° |
| C01 | N02 | C10 | C03 | 179.9° | 179.9° |
| C01 | N02 | C10 | O11 | 175.3° | 5.0° |
| C01 | N02 | C03 | C09 | 103.2° | 67.5° |
| C01 | N02 | C03 | C04 | 78.0° | 112.3° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 119.9° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| O33 | C10 | N02 | O11 | 179.9° | 179.9° |
| O33 | C10 | N02 | C03 | 175.4° | 4.9° |
| O33 | C10 | O11 | C12 | 14.3° | 0.1° |
| N17 | C19 | N14 | C13 | 179.9° | 180.0° |
| N17 | C19 | N14 | C15 | 0.2° | 0.0° |
| C19 | N17 | C16 | C15 | 0.1° | 0.1° |
| C19 | N17 | C16 | H9 | 119.8° | 118.5° |
| C19 | N17 | C18 | H10 | 180.0° | 0.0° |
| C19 | N17 | C18 | H11 | 60.0° | 120.0° |
| C19 | N17 | C18 | H12 | 60.0° | 120.0° |
| C19 | N17 | C16 | H16 | 119.6° | 118.8° |
| N14 | C19 | N17 | C16 | 0.1° | 0.0° |
| C19 | N14 | C13 | C15 | 179.6° | 180.0° |
| C19 | N14 | C15 | C16 | 0.3° | 0.1° |
| C19 | N14 | C13 | C21 | 72.4° | 90.0° |
| C19 | N14 | C13 | C12 | 107.1° | 90.0° |
| C19 | N14 | C15 | H8 | 120.1° | 118.6° |
| C19 | N14 | C15 | H15 | 119.5° | 118.8° |
| N17 | C16 | C15 | N14 | 0.3° | 0.1° |
| N17 | C16 | C15 | H9 | 119.7° | 118.6° |
| N17 | C16 | C15 | H16 | 119.7° | 118.8° |
| N17 | C16 | C15 | H8 | 120.1° | 118.5° |
| N17 | C16 | H9 | H16 | 120.8° | 122.8° |
| C16 | N17 | C18 | H10 | 0.0° | 179.9° |
| C16 | N17 | C18 | H11 | 120.0° | 59.9° |
| C16 | N17 | C18 | H12 | 120.0° | 60.0° |
| N17 | C16 | C15 | H15 | 119.5° | 118.7° |
| F24 | C23 | F25 | C22 | 119.4° | 119.9° |
| F24 | C23 | F25 | F26 | 120.5° | 120.0° |
| F24 | C23 | C22 | C21 | 109.6° | 150.0° |
| F24 | C23 | C22 | F26 | 119.9° | 120.0° |
| F24 | C23 | C22 | C27 | 70.2° | 30.1° |
| N02 | C10 | O11 | C12 | 165.8° | 180.0° |
| C10 | N02 | C03 | C09 | 76.9° | 112.4° |
| C10 | N02 | C03 | C04 | 101.9° | 67.8° |
| C10 | N02 | C01 | H1 | 180.0° | 89.9° |
| C10 | N02 | C01 | H2 | 60.0° | 150.0° |
| C10 | N02 | C01 | H3 | 60.0° | 30.0° |
| O11 | C10 | N02 | C03 | 4.6° | 175.0° |
| C10 | O11 | C12 | C13 | 82.8° | 89.7° |
| C10 | O11 | C12 | C28 | 98.4° | 89.9° |
| N02 | C03 | C09 | C04 | 178.9° | 179.8° |
| N02 | C03 | C09 | C08 | 179.5° | 179.7° |
| N02 | C03 | C04 | C05 | 179.5° | 179.7° |
| C03 | N02 | C01 | H1 | 0.1° | 90.0° |
| C03 | N02 | C01 | H2 | 120.1° | 30.1° |
| C03 | N02 | C01 | H3 | 119.9° | 150.0° |
| N02 | C03 | C04 | H4 | 0.5° | 0.3° |
| N02 | C03 | C09 | H7 | 0.5° | 0.2° |
| C13 | N14 | C15 | C16 | 180.0° | 180.0° |
| N14 | C13 | C21 | C12 | 179.5° | 180.0° |
| N14 | C13 | C21 | C22 | 179.8° | 179.9° |
| N14 | C13 | C12 | O11 | 1.0° | 0.1° |
| N14 | C13 | C12 | C28 | 179.8° | 179.7° |
| C13 | N14 | C15 | H8 | 60.2° | 61.4° |
| N14 | C13 | C21 | H13 | 0.2° | 0.0° |
| C13 | N14 | C15 | H15 | 60.1° | 61.2° |
| N14 | C15 | C16 | H8 | 119.8° | 118.6° |
| N14 | C15 | C16 | H15 | 119.8° | 118.7° |
| C15 | N14 | C13 | C21 | 107.3° | 90.0° |
| C15 | N14 | C13 | C12 | 73.3° | 90.0° |
| N14 | C15 | H8 | H15 | 120.6° | 122.6° |
| N14 | C15 | C16 | H9 | 120.0° | 118.5° |
| N14 | C15 | C16 | H16 | 119.5° | 118.9° |
| C16 | C15 | H8 | H15 | 120.6° | 122.8° |
| C15 | C16 | H9 | H16 | 120.9° | 122.7° |
| F25 | C23 | C22 | C21 | 10.0° | 30.1° |
| F25 | C23 | C22 | F26 | 120.4° | 120.1° |
| F25 | C23 | C22 | C27 | 170.2° | 150.1° |
| C13 | C21 | C22 | H13 | 180.0° | 179.9° |
| C13 | C21 | C22 | C23 | 179.9° | 180.0° |
| C13 | C21 | C22 | C27 | 0.1° | 0.1° |
| C21 | C13 | C12 | O11 | 179.6° | 180.0° |
| C21 | C13 | C12 | C28 | 0.8° | 0.3° |
| C22 | C21 | C13 | C12 | 0.4° | 0.0° |
| C21 | C22 | C23 | C27 | 179.8° | 179.9° |
| C21 | C22 | C23 | F26 | 130.4° | 90.0° |
| C21 | C22 | C27 | C28 | 0.2° | 0.1° |
| C21 | C22 | C27 | H14 | 179.9° | 180.0° |
| C13 | C12 | O11 | C28 | 178.8° | 179.7° |
| C13 | C12 | C28 | C27 | 0.9° | 0.5° |
| C13 | C12 | C28 | C29 | 179.7° | 179.7° |
| C12 | C13 | C21 | H13 | 179.7° | 179.9° |
| C23 | C22 | C27 | C28 | 180.0° | 179.7° |
| C23 | C22 | C21 | H13 | 0.1° | 0.1° |
| C23 | C22 | C27 | H14 | 0.1° | 0.1° |
| F26 | C23 | C22 | C27 | 49.8° | 89.9° |
| C22 | C27 | C28 | C12 | 0.6° | 0.5° |
| C22 | C27 | C28 | H14 | 180.0° | 179.8° |
| C22 | C27 | C28 | C29 | 180.0° | 179.8° |
| C27 | C22 | C21 | H13 | 179.9° | 180.0° |
| F32 | C29 | C28 | C12 | 52.7° | 60.0° |
| F32 | C29 | C28 | C27 | 126.8° | 120.2° |
| F32 | C29 | C28 | F31 | 119.9° | 120.0° |
| F32 | C29 | C28 | F30 | 120.4° | 120.0° |
| F32 | C29 | F31 | F30 | 119.6° | 120.1° |
| O11 | C12 | C28 | C27 | 179.7° | 179.8° |
| O11 | C12 | C28 | C29 | 0.9° | 0.1° |
| C12 | C28 | C27 | C29 | 179.5° | 179.7° |
| C12 | C28 | C29 | F31 | 172.6° | 179.9° |
| C12 | C28 | C29 | F30 | 67.7° | 60.0° |
| C12 | C28 | C27 | H14 | 179.5° | 179.7° |
| C27 | C28 | C29 | F31 | 6.8° | 0.2° |
| C27 | C28 | C29 | F30 | 112.9° | 119.8° |
| C28 | C29 | F31 | F30 | 120.4° | 120.0° |
| C29 | C28 | C27 | H14 | 0.0° | 0.0° |
| C03 | C09 | C08 | H7 | 180.0° | 179.9° |
| C09 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C09 | C08 | C06 | 0.4° | 0.0° |
| C09 | C03 | C04 | H4 | 179.4° | 179.9° |
| C03 | C09 | C08 | H6 | 179.6° | 180.0° |
| C04 | C03 | C09 | C08 | 0.6° | 0.0° |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | H5 | 179.7° | 180.0° |
| C04 | C03 | C09 | H7 | 179.3° | 180.0° |
| C09 | C08 | C06 | H6 | 180.0° | 180.0° |
| C09 | C08 | C06 | C05 | 0.1° | 0.0° |
| C09 | C08 | C06 | F07 | 179.9° | 179.9° |
| C04 | C05 | C06 | C08 | 0.1° | 0.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | F07 | 179.9° | 180.0° |
| C08 | C06 | C05 | F07 | 180.0° | 179.9° |
| C08 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C08 | C09 | H7 | 179.6° | 179.9° |
| C06 | C05 | C04 | H4 | 179.7° | 180.0° |
| C05 | C06 | C08 | H6 | 179.9° | 180.0° |
| F07 | C06 | C05 | H5 | 0.1° | 0.1° |
| F07 | C06 | C08 | H6 | 0.1° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 0.3° | 0.1° |
| H6 | C08 | C09 | H7 | 0.4° | 0.1° |
| H8 | C15 | C16 | H9 | 120.2° | 122.8° |
| H8 | C15 | C16 | H16 | 0.4° | 0.2° |
| H9 | C16 | C15 | H15 | 0.2° | 0.1° |
| H10 | C18 | H11 | H12 | 120.0° | 120.0° |
| H15 | C15 | C16 | H16 | 120.7° | 122.5° |
