EZ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| O27 | C25 | doub | 1.21Å | 1.23Å | |
| C25 | O26 | sing | 1.34Å | 1.24Å | |
| C25 | C22 | sing | 1.51Å | 1.60Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C19 | sing | 1.51Å | 1.44Å | |
| N20 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| N20 | C21 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | N18 | sing | 1.32Å | 1.35Å | Aromatic |
| C21 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| N18 | C17 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C13 | sing | 1.48Å | 1.45Å | |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| N15 | C10 | doub | 1.33Å | 1.38Å | Aromatic |
| F35 | C33 | sing | 1.40Å | 1.35Å | |
| N32 | N28 | sing | 1.40Å | 1.33Å | Aromatic |
| N32 | C31 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | N28 | sing | 1.40Å | 1.40Å | |
| C12 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | N09 | sing | 1.38Å | 1.35Å | Aromatic |
| C33 | F36 | sing | 1.40Å | 1.33Å | |
| C33 | C31 | sing | 1.51Å | 1.49Å | |
| C33 | F34 | sing | 1.40Å | 1.32Å | |
| N28 | C29 | sing | 1.36Å | 1.43Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.45Å | Aromatic |
| C11 | C07 | sing | 1.47Å | 1.41Å | Aromatic |
| N09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.35Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | N02 | sing | 1.40Å | 1.38Å | |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.49Å | |
| C05 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | F37 | sing | 1.35Å | 1.35Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 0.97Å | 1.00Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| N09 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 60.4° | 60.0° |
| C23 | C22 | C25 | 111.3° | 117.5° |
| C23 | C22 | C24 | 59.2° | 60.0° |
| C23 | C22 | C19 | 129.3° | 117.5° |
| C22 | C23 | H11 | 119.9° | 117.5° |
| C22 | C23 | H12 | 119.9° | 117.5° |
| C23 | C24 | C22 | 60.4° | 60.0° |
| C24 | C23 | H11 | 119.9° | 117.5° |
| C24 | C23 | H12 | 119.9° | 117.5° |
| C23 | C24 | H13 | 119.9° | 117.5° |
| C23 | C24 | H14 | 119.9° | 117.5° |
| O27 | C25 | O26 | 128.3° | 120.0° |
| O27 | C25 | C22 | 115.5° | 120.0° |
| O26 | C25 | C22 | 116.3° | 120.0° |
| C25 | O26 | H15 | 109.5° | 117.0° |
| C25 | C22 | C24 | 111.0° | 117.5° |
| C25 | C22 | C19 | 115.4° | 115.6° |
| C24 | C22 | C19 | 117.3° | 117.5° |
| C22 | C24 | H13 | 119.9° | 117.5° |
| C22 | C24 | H14 | 119.9° | 117.5° |
| C22 | C19 | N20 | 115.3° | 119.0° |
| C22 | C19 | N18 | 122.1° | 119.0° |
| C19 | N20 | C21 | 117.9° | 120.9° |
| N20 | C19 | N18 | 122.6° | 122.1° |
| N20 | C21 | C16 | 124.4° | 119.0° |
| N20 | C21 | H10 | 117.8° | 120.5° |
| C19 | N18 | C17 | 117.7° | 120.9° |
| C21 | C16 | C17 | 113.1° | 118.2° |
| C21 | C16 | C13 | 125.0° | 120.9° |
| C16 | C21 | H10 | 117.8° | 120.6° |
| N18 | C17 | C16 | 124.4° | 119.0° |
| N18 | C17 | H9 | 117.8° | 120.5° |
| C17 | C16 | C13 | 122.0° | 120.9° |
| C16 | C17 | H9 | 117.8° | 120.5° |
| C16 | C13 | C14 | 118.0° | 120.6° |
| C16 | C13 | C12 | 125.4° | 120.5° |
| C13 | C14 | N15 | 125.8° | 121.4° |
| C14 | C13 | C12 | 116.5° | 118.9° |
| C13 | C14 | H8 | 117.1° | 119.3° |
| C14 | N15 | C10 | 114.1° | 122.1° |
| N15 | C14 | H8 | 117.1° | 119.3° |
| C13 | C12 | N28 | 115.9° | 121.0° |
| C13 | C12 | C11 | 121.4° | 118.0° |
| N15 | C10 | C11 | 125.8° | 119.9° |
| N15 | C10 | N09 | 124.0° | 131.9° |
| F35 | C33 | F36 | 105.2° | 109.4° |
| F35 | C33 | C31 | 109.9° | 109.5° |
| F35 | C33 | F34 | 106.3° | 109.5° |
| N28 | N32 | C31 | 104.7° | 108.2° |
| N32 | N28 | C12 | 123.1° | 126.1° |
| N32 | N28 | C29 | 112.7° | 107.8° |
| N32 | C31 | C33 | 119.6° | 125.8° |
| N32 | C31 | C30 | 113.5° | 108.4° |
| N28 | C12 | C11 | 122.5° | 121.0° |
| C12 | N28 | C29 | 123.6° | 126.1° |
| C12 | C11 | C10 | 116.2° | 119.6° |
| C12 | C11 | C07 | 138.2° | 133.7° |
| C11 | C10 | N09 | 110.2° | 108.2° |
| C10 | C11 | C07 | 105.5° | 106.7° |
| C10 | N09 | C08 | 107.9° | 110.4° |
| C10 | N09 | H7 | 126.1° | 124.8° |
| F36 | C33 | C31 | 114.4° | 109.5° |
| F36 | C33 | F34 | 107.7° | 109.5° |
| C31 | C33 | F34 | 112.7° | 109.5° |
| C33 | C31 | C30 | 126.9° | 125.8° |
| N28 | C29 | C30 | 106.0° | 107.6° |
| N28 | C29 | H16 | 127.0° | 126.2° |
| C31 | C30 | C29 | 103.1° | 107.9° |
| C31 | C30 | H17 | 128.5° | 126.0° |
| C11 | C07 | C08 | 107.4° | 106.4° |
| C11 | C07 | C06 | 132.2° | 133.5° |
| N09 | C08 | C07 | 109.0° | 108.3° |
| N09 | C08 | C03 | 128.0° | 132.3° |
| C08 | N09 | H7 | 126.0° | 124.8° |
| C30 | C29 | H16 | 127.0° | 126.2° |
| C29 | C30 | H17 | 128.4° | 126.0° |
| C08 | C07 | C06 | 120.4° | 120.1° |
| C07 | C08 | C03 | 123.0° | 119.3° |
| C07 | C06 | C05 | 116.6° | 119.9° |
| C07 | C06 | H6 | 121.7° | 120.0° |
| C08 | C03 | N02 | 120.9° | 120.0° |
| C08 | C03 | C04 | 116.8° | 119.9° |
| C06 | C05 | C04 | 122.3° | 120.2° |
| C06 | C05 | F37 | 119.1° | 119.9° |
| C05 | C06 | H6 | 121.7° | 120.1° |
| N02 | C03 | C04 | 122.4° | 120.0° |
| C03 | N02 | C01 | 124.6° | 120.0° |
| C03 | N02 | H4 | 105.6° | 120.1° |
| C03 | C04 | C05 | 120.9° | 120.5° |
| C03 | C04 | H5 | 119.6° | 119.8° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| C01 | N02 | H4 | 105.6° | 119.9° |
| C04 | C05 | F37 | 118.6° | 119.9° |
| C05 | C04 | H5 | 119.6° | 119.7° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 115.6° |
| H13 | C24 | H14 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H11 | 109.6° | 107.5° |
| C22 | C23 | C24 | H12 | 109.6° | 107.5° |
| C23 | C22 | C25 | O27 | 41.0° | 68.6° |
| C23 | C22 | C25 | O26 | 139.6° | 111.3° |
| C23 | C22 | C25 | C24 | 63.9° | 68.7° |
| C23 | C22 | C25 | C19 | 159.5° | 145.7° |
| C23 | C22 | C24 | C19 | 121.5° | 107.5° |
| C23 | C22 | C19 | N20 | 35.9° | 68.6° |
| C23 | C22 | C19 | N18 | 142.4° | 111.4° |
| C22 | C23 | H11 | H12 | 144.5° | 145.7° |
| C22 | C23 | C24 | H13 | 109.6° | 107.5° |
| C22 | C23 | C24 | H14 | 109.6° | 107.5° |
| C24 | C23 | H11 | H12 | 144.5° | 145.6° |
| C23 | C24 | H13 | H14 | 144.5° | 145.6° |
| O27 | C25 | O26 | C22 | 179.3° | 180.0° |
| O27 | C25 | C22 | C24 | 22.9° | 0.0° |
| O27 | C25 | C22 | C19 | 159.4° | 145.7° |
| O27 | C25 | O26 | H15 | 0.0° | 0.0° |
| O26 | C25 | C22 | C24 | 156.5° | 180.0° |
| O26 | C25 | C22 | C19 | 19.9° | 34.4° |
| C25 | C22 | C24 | C19 | 135.6° | 145.0° |
| C25 | C22 | C19 | N20 | 119.2° | 145.7° |
| C25 | C22 | C19 | N18 | 62.5° | 34.4° |
| C25 | C22 | C23 | H11 | 148.0° | 145.1° |
| C25 | C22 | C23 | H12 | 7.1° | 0.0° |
| C25 | C22 | C24 | H13 | 147.5° | 0.1° |
| C25 | C22 | C24 | H14 | 6.7° | 145.0° |
| C22 | C25 | O26 | H15 | 179.3° | 180.0° |
| C24 | C22 | C19 | N20 | 107.1° | 0.0° |
| C24 | C22 | C19 | N18 | 71.2° | 180.0° |
| C22 | C24 | H13 | H14 | 144.5° | 145.7° |
| C22 | C19 | N20 | N18 | 178.3° | 180.0° |
| C22 | C19 | N20 | C21 | 178.5° | 179.7° |
| C22 | C19 | N18 | C17 | 179.8° | 180.0° |
| C19 | C22 | C23 | H11 | 8.0° | 0.0° |
| C19 | C22 | C23 | H12 | 148.8° | 145.1° |
| C19 | C22 | C24 | H13 | 11.9° | 145.0° |
| C19 | C22 | C24 | H14 | 128.9° | 0.0° |
| C19 | N20 | C21 | C16 | 0.7° | 0.6° |
| N20 | C19 | N18 | C17 | 1.6° | 0.0° |
| C19 | N20 | C21 | H10 | 179.3° | 180.0° |
| C21 | N20 | C19 | N18 | 0.2° | 0.4° |
| N20 | C21 | C16 | H10 | 180.0° | 179.4° |
| N20 | C21 | C16 | C17 | 0.1° | 0.6° |
| N20 | C21 | C16 | C13 | 179.7° | 179.7° |
| C19 | N18 | C17 | C16 | 2.3° | 0.0° |
| C19 | N18 | C17 | H9 | 177.7° | 180.0° |
| C21 | C16 | C17 | N18 | 1.5° | 0.3° |
| C21 | C16 | C17 | C13 | 179.6° | 179.7° |
| C21 | C16 | C13 | C14 | 51.5° | 123.8° |
| C21 | C16 | C13 | C12 | 127.8° | 56.1° |
| C21 | C16 | C17 | H9 | 178.5° | 179.7° |
| N18 | C17 | C16 | H9 | 180.0° | 180.0° |
| N18 | C17 | C16 | C13 | 178.1° | 180.0° |
| C17 | C16 | C13 | C14 | 129.0° | 55.9° |
| C17 | C16 | C13 | C12 | 51.7° | 124.1° |
| C17 | C16 | C21 | H10 | 179.9° | 180.0° |
| C16 | C13 | C14 | C12 | 179.3° | 180.0° |
| C16 | C13 | C14 | N15 | 178.8° | 179.0° |
| C16 | C13 | C12 | N28 | 3.2° | 0.0° |
| C16 | C13 | C12 | C11 | 177.2° | 180.0° |
| C16 | C13 | C14 | H8 | 1.1° | 0.0° |
| C13 | C16 | C17 | H9 | 1.9° | 0.0° |
| C13 | C16 | C21 | H10 | 0.3° | 0.3° |
| C13 | C14 | N15 | H8 | 180.0° | 179.0° |
| C13 | C14 | N15 | C10 | 0.1° | 2.0° |
| C14 | C13 | C12 | N28 | 177.5° | 180.0° |
| C14 | C13 | C12 | C11 | 3.5° | 0.0° |
| N15 | C14 | C13 | C12 | 1.8° | 1.0° |
| C14 | N15 | C10 | C11 | 0.4° | 2.0° |
| C14 | N15 | C10 | N09 | 178.4° | 179.2° |
| C13 | C12 | N28 | N32 | 53.9° | 127.9° |
| C13 | C12 | N28 | C11 | 174.0° | 180.0° |
| C13 | C12 | C11 | C10 | 3.1° | 0.0° |
| C13 | C12 | N28 | C29 | 116.2° | 51.8° |
| C13 | C12 | C11 | C07 | 179.8° | 178.7° |
| C12 | C13 | C14 | H8 | 178.2° | 180.0° |
| N15 | C10 | C11 | C12 | 1.2° | 1.0° |
| N15 | C10 | C11 | N09 | 178.9° | 179.1° |
| N15 | C10 | C11 | C07 | 178.8° | 180.0° |
| N15 | C10 | N09 | C08 | 178.2° | 179.5° |
| N15 | C10 | N09 | H7 | 1.8° | 0.4° |
| C10 | N15 | C14 | H8 | 179.9° | 179.0° |
| F35 | C33 | C31 | N32 | 53.8° | 150.3° |
| F35 | C33 | F36 | C31 | 120.8° | 120.0° |
| F35 | C33 | F36 | F34 | 113.1° | 120.0° |
| F35 | C33 | C31 | F34 | 118.3° | 120.0° |
| F35 | C33 | C31 | C30 | 127.1° | 30.0° |
| N32 | N28 | C12 | C29 | 170.1° | 179.6° |
| N32 | N28 | C12 | C11 | 132.2° | 52.2° |
| N28 | N32 | C31 | C33 | 178.3° | 179.8° |
| N28 | N32 | C31 | C30 | 1.0° | 0.5° |
| N32 | N28 | C29 | C30 | 3.4° | 0.3° |
| N32 | N28 | C29 | H16 | 176.7° | 179.7° |
| C31 | N32 | N28 | C12 | 173.7° | 179.8° |
| N32 | C31 | C33 | F36 | 64.4° | 89.7° |
| N32 | C31 | C33 | C30 | 179.2° | 179.7° |
| N32 | C31 | C33 | F34 | 172.1° | 30.3° |
| C31 | N32 | N28 | C29 | 2.6° | 0.5° |
| N32 | C31 | C30 | C29 | 1.0° | 0.3° |
| N32 | C31 | C30 | H17 | 178.9° | 179.7° |
| N28 | C12 | C11 | C10 | 176.8° | 180.0° |
| N28 | C12 | C11 | C07 | 6.6° | 1.3° |
| C12 | N28 | C29 | C30 | 174.4° | 180.0° |
| C12 | N28 | C29 | H16 | 5.7° | 0.0° |
| C12 | C11 | C10 | C07 | 177.7° | 179.0° |
| C12 | C11 | C10 | N09 | 179.9° | 180.0° |
| C11 | C12 | N28 | C29 | 57.8° | 128.2° |
| C12 | C11 | C07 | C08 | 177.6° | 179.8° |
| C12 | C11 | C07 | C06 | 2.3° | 0.9° |
| C11 | C10 | N09 | C08 | 2.8° | 0.6° |
| C10 | C11 | C07 | C08 | 0.7° | 0.9° |
| C10 | C11 | C07 | C06 | 179.1° | 179.8° |
| C11 | C10 | N09 | H7 | 177.2° | 179.4° |
| N09 | C10 | C11 | C07 | 2.2° | 0.9° |
| C10 | N09 | C08 | H7 | 180.0° | 179.9° |
| C10 | N09 | C08 | C07 | 2.4° | 0.0° |
| C10 | N09 | C08 | C03 | 178.9° | 179.4° |
| F36 | C33 | C31 | F34 | 123.5° | 120.0° |
| F36 | C33 | C31 | C30 | 114.8° | 90.0° |
| C33 | C31 | C30 | C29 | 179.7° | 180.0° |
| C33 | C31 | C30 | H17 | 0.3° | 0.0° |
| F34 | C33 | C31 | C30 | 8.7° | 150.0° |
| N28 | C29 | C30 | C31 | 2.5° | 0.0° |
| N28 | C29 | C30 | H16 | 180.0° | 180.0° |
| N28 | C29 | C30 | H17 | 177.5° | 180.0° |
| C31 | C30 | C29 | H17 | 180.0° | 180.0° |
| C31 | C30 | C29 | H16 | 177.6° | 180.0° |
| C11 | C07 | C08 | N09 | 1.0° | 0.6° |
| C11 | C07 | C08 | C06 | 179.9° | 179.4° |
| C11 | C07 | C08 | C03 | 179.8° | 180.0° |
| C11 | C07 | C06 | C05 | 179.9° | 179.5° |
| C11 | C07 | C06 | H6 | 0.1° | 0.5° |
| N09 | C08 | C07 | C03 | 178.8° | 179.5° |
| N09 | C08 | C07 | C06 | 179.2° | 180.0° |
| N09 | C08 | C03 | N02 | 2.3° | 0.5° |
| N09 | C08 | C03 | C04 | 179.1° | 179.9° |
| C08 | C07 | C06 | C05 | 0.0° | 0.3° |
| C07 | C08 | C03 | N02 | 179.2° | 179.8° |
| C07 | C08 | C03 | C04 | 0.6° | 0.6° |
| C08 | C07 | C06 | H6 | 180.0° | 179.8° |
| C07 | C08 | N09 | H7 | 177.7° | 180.0° |
| C06 | C07 | C08 | C03 | 0.4° | 0.6° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | F37 | 179.7° | 180.0° |
| C08 | C03 | N02 | C04 | 178.5° | 179.6° |
| C08 | C03 | N02 | C01 | 175.1° | 179.7° |
| C08 | C03 | C04 | C05 | 0.4° | 0.3° |
| C08 | C03 | N02 | H4 | 53.0° | 0.4° |
| C08 | C03 | C04 | H5 | 179.6° | 179.8° |
| C03 | C08 | N09 | H7 | 1.0° | 0.7° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | F37 | 179.7° | 180.0° |
| C06 | C05 | C04 | H5 | 179.9° | 179.9° |
| C03 | N02 | C01 | H4 | 122.1° | 179.9° |
| N02 | C03 | C04 | C05 | 179.0° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 59.9° |
| C03 | N02 | C01 | H2 | 60.0° | 179.9° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C03 | C04 | H5 | 1.0° | 0.1° |
| C04 | C03 | N02 | C01 | 6.4° | 0.1° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | C05 | F37 | 179.9° | 179.9° |
| C04 | C03 | N02 | H4 | 128.5° | 180.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C04 | C05 | C06 | H6 | 179.9° | 180.0° |
| F37 | C05 | C04 | H5 | 0.1° | 0.1° |
| F37 | C05 | C06 | H6 | 0.3° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H4 | 57.9° | 119.9° |
| H2 | C01 | N02 | H4 | 177.9° | 0.0° |
| H3 | C01 | N02 | H4 | 62.1° | 120.1° |
| H11 | C23 | C24 | H13 | 0.0° | 145.0° |
| H11 | C23 | C24 | H14 | 140.9° | 0.0° |
| H12 | C23 | C24 | H13 | 140.8° | 0.1° |
| H12 | C23 | C24 | H14 | 0.0° | 145.0° |
| H16 | C29 | C30 | H17 | 2.4° | 0.0° |
