ZEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| O01 | S02 | doub | 1.42Å | 1.45Å | |
| O27 | S02 | doub | 1.42Å | 1.46Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | N22 | sing | 1.46Å | 1.46Å | |
| S02 | N22 | sing | 1.66Å | 1.71Å | |
| S02 | C03 | sing | 1.76Å | 1.83Å | |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.53Å | |
| C07 | N19 | sing | 1.32Å | 1.48Å | Aromatic |
| C07 | C08 | doub | 1.35Å | 1.45Å | Aromatic |
| N19 | C10 | doub | 1.29Å | 1.39Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.63Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | S09 | sing | 1.71Å | 1.65Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.37Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | N22 | 112.3° | 109.5° |
| C26 | C25 | H17 | 108.7° | 109.5° |
| C26 | C25 | H18 | 108.8° | 109.4° |
| C25 | C26 | H19 | 109.5° | 109.5° |
| C25 | C26 | H20 | 109.4° | 109.4° |
| C25 | C26 | H21 | 109.5° | 109.5° |
| O01 | S02 | O27 | 99.6° | 123.2° |
| O01 | S02 | N22 | 113.8° | 106.4° |
| O01 | S02 | C03 | 111.8° | 106.4° |
| O27 | S02 | N22 | 112.9° | 106.4° |
| O27 | S02 | C03 | 111.1° | 106.4° |
| C24 | C23 | N22 | 111.2° | 109.5° |
| C24 | C23 | H12 | 109.0° | 109.5° |
| C24 | C23 | H13 | 109.0° | 109.5° |
| C23 | C24 | H14 | 109.5° | 109.4° |
| C23 | C24 | H15 | 109.5° | 109.5° |
| C23 | C24 | H16 | 109.5° | 109.5° |
| C25 | N22 | S02 | 117.4° | 120.0° |
| C25 | N22 | C23 | 120.9° | 120.0° |
| N22 | C25 | H17 | 108.8° | 109.5° |
| N22 | C25 | H18 | 108.8° | 109.5° |
| N22 | S02 | C03 | 107.6° | 107.2° |
| S02 | N22 | C23 | 119.1° | 120.0° |
| S02 | C03 | C04 | 119.8° | 119.8° |
| S02 | C03 | C21 | 120.6° | 119.9° |
| N22 | C23 | H12 | 109.0° | 109.4° |
| N22 | C23 | H13 | 109.0° | 109.5° |
| C04 | C03 | C21 | 119.6° | 120.2° |
| C03 | C04 | C05 | 120.1° | 120.1° |
| C03 | C04 | H6 | 120.0° | 119.9° |
| C03 | C21 | C20 | 120.2° | 120.1° |
| C03 | C21 | H11 | 119.9° | 119.9° |
| C04 | C05 | C06 | 120.5° | 119.9° |
| C05 | C04 | H6 | 120.0° | 119.9° |
| C04 | C05 | H7 | 119.8° | 120.0° |
| C21 | C20 | C06 | 119.9° | 119.8° |
| C21 | C20 | H10 | 120.1° | 120.1° |
| C20 | C21 | H11 | 119.9° | 119.9° |
| C05 | C06 | C20 | 119.7° | 119.8° |
| C05 | C06 | C07 | 120.5° | 120.1° |
| C06 | C05 | H7 | 119.7° | 120.1° |
| C20 | C06 | C07 | 119.3° | 120.1° |
| C06 | C20 | H10 | 120.1° | 120.1° |
| C06 | C07 | N19 | 119.8° | 123.0° |
| C06 | C07 | C08 | 130.1° | 122.9° |
| N19 | C07 | C08 | 109.6° | 114.1° |
| C07 | N19 | C10 | 110.4° | 117.1° |
| C07 | C08 | S09 | 111.0° | 107.9° |
| C07 | C08 | H8 | 124.5° | 126.1° |
| N19 | C10 | S09 | 112.4° | 110.5° |
| N19 | C10 | C11 | 118.9° | 124.8° |
| C08 | S09 | C10 | 96.5° | 90.4° |
| S09 | C08 | H8 | 124.5° | 126.1° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C17 | C18 | C12 | 119.2° | 120.0° |
| C18 | C17 | H5 | 119.9° | 120.0° |
| C17 | C18 | H9 | 120.4° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.1° |
| C17 | C16 | H4 | 119.9° | 120.0° |
| C16 | C17 | H5 | 119.9° | 120.0° |
| C18 | C12 | C11 | 121.1° | 120.0° |
| C18 | C12 | C13 | 120.8° | 120.0° |
| C12 | C18 | H9 | 120.4° | 119.9° |
| C16 | C15 | C13 | 119.2° | 120.0° |
| C16 | C15 | H3 | 120.4° | 120.0° |
| C15 | C16 | H4 | 119.9° | 120.0° |
| S09 | C10 | C11 | 128.8° | 124.7° |
| C10 | C11 | C12 | 109.1° | 109.5° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| C11 | C12 | C13 | 118.2° | 120.0° |
| C12 | C11 | H1 | 109.6° | 109.5° |
| C12 | C11 | H2 | 109.6° | 109.4° |
| C12 | C13 | C15 | 120.4° | 119.9° |
| C12 | C13 | F14 | 117.8° | 120.0° |
| C15 | C13 | F14 | 121.8° | 120.1° |
| C13 | C15 | H3 | 120.4° | 120.0° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | N22 | H17 | 120.4° | 120.0° |
| C26 | C25 | N22 | H18 | 120.4° | 119.9° |
| C26 | C25 | N22 | S02 | 68.0° | 95.0° |
| C26 | C25 | N22 | C23 | 130.8° | 85.0° |
| C26 | C25 | H17 | H18 | 118.7° | 120.0° |
| C25 | C26 | H19 | H20 | 120.0° | 120.0° |
| C25 | C26 | H19 | H21 | 120.0° | 120.0° |
| C25 | C26 | H20 | H21 | 120.0° | 120.0° |
| O01 | S02 | O27 | N22 | 121.1° | 123.0° |
| O01 | S02 | O27 | C03 | 117.9° | 122.9° |
| O01 | S02 | N22 | C25 | 142.4° | 156.5° |
| O01 | S02 | N22 | C03 | 124.4° | 113.5° |
| O01 | S02 | N22 | C23 | 56.0° | 23.5° |
| O01 | S02 | C03 | C04 | 38.5° | 156.5° |
| O01 | S02 | C03 | C21 | 141.3° | 23.3° |
| O27 | S02 | N22 | C25 | 29.8° | 23.5° |
| O27 | S02 | N22 | C03 | 123.0° | 113.6° |
| O27 | S02 | N22 | C23 | 168.6° | 156.5° |
| O27 | S02 | C03 | C04 | 148.7° | 23.6° |
| O27 | S02 | C03 | C21 | 31.1° | 156.2° |
| C24 | C23 | N22 | C25 | 115.6° | 85.0° |
| C24 | C23 | N22 | S02 | 83.5° | 95.0° |
| C24 | C23 | N22 | H12 | 120.2° | 120.0° |
| C24 | C23 | N22 | H13 | 120.3° | 120.0° |
| C24 | C23 | H12 | H13 | 119.2° | 120.0° |
| C23 | C24 | H14 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H16 | 120.0° | 120.0° |
| C23 | C24 | H15 | H16 | 120.0° | 120.0° |
| C25 | N22 | S02 | C23 | 161.6° | 180.0° |
| C25 | N22 | S02 | C03 | 93.2° | 90.0° |
| C25 | N22 | C23 | H12 | 4.6° | 35.0° |
| C25 | N22 | C23 | H13 | 124.2° | 155.0° |
| N22 | C25 | H17 | H18 | 118.7° | 120.0° |
| N22 | C25 | C26 | H19 | 180.0° | 60.0° |
| N22 | C25 | C26 | H20 | 60.0° | 60.0° |
| N22 | C25 | C26 | H21 | 60.0° | 179.9° |
| N22 | S02 | C03 | C04 | 87.2° | 90.0° |
| N22 | S02 | C03 | C21 | 93.0° | 90.2° |
| S02 | N22 | C23 | H12 | 156.3° | 145.0° |
| S02 | N22 | C23 | H13 | 36.8° | 25.0° |
| S02 | N22 | C25 | H17 | 52.4° | 145.0° |
| S02 | N22 | C25 | H18 | 171.6° | 25.0° |
| C03 | S02 | N22 | C23 | 68.4° | 90.0° |
| S02 | C03 | C04 | C21 | 179.7° | 179.8° |
| S02 | C03 | C04 | C05 | 179.6° | 180.0° |
| S02 | C03 | C21 | C20 | 179.8° | 179.7° |
| S02 | C03 | C04 | H6 | 0.4° | 0.1° |
| S02 | C03 | C21 | H11 | 0.3° | 0.0° |
| N22 | C23 | H12 | H13 | 119.2° | 120.0° |
| N22 | C23 | C24 | H14 | 180.0° | 60.0° |
| N22 | C23 | C24 | H15 | 60.0° | 60.0° |
| N22 | C23 | C24 | H16 | 60.0° | 180.0° |
| C23 | N22 | C25 | H17 | 108.8° | 35.0° |
| C23 | N22 | C25 | H18 | 10.3° | 155.0° |
| C03 | C04 | C05 | H6 | 180.0° | 179.9° |
| C04 | C03 | C21 | C20 | 0.5° | 0.5° |
| C03 | C04 | C05 | C06 | 2.4° | 0.0° |
| C03 | C04 | C05 | H7 | 177.6° | 180.0° |
| C04 | C03 | C21 | H11 | 179.5° | 179.7° |
| C21 | C03 | C04 | C05 | 0.2° | 0.2° |
| C03 | C21 | C20 | H11 | 180.0° | 179.8° |
| C03 | C21 | C20 | C06 | 1.0° | 0.6° |
| C21 | C03 | C04 | H6 | 179.8° | 179.7° |
| C03 | C21 | C20 | H10 | 179.0° | 179.7° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | C20 | 4.0° | 0.0° |
| C04 | C05 | C06 | C07 | 175.3° | 180.0° |
| C21 | C20 | C06 | C05 | 3.2° | 0.3° |
| C21 | C20 | C06 | H10 | 180.0° | 179.7° |
| C21 | C20 | C06 | C07 | 174.6° | 179.7° |
| C05 | C06 | C20 | C07 | 171.4° | 180.0° |
| C05 | C06 | C07 | N19 | 164.3° | 0.0° |
| C05 | C06 | C07 | C08 | 6.6° | 179.6° |
| C06 | C05 | C04 | H6 | 177.6° | 179.9° |
| C05 | C06 | C20 | H10 | 176.8° | 180.0° |
| C20 | C06 | C07 | N19 | 7.0° | 180.0° |
| C20 | C06 | C07 | C08 | 177.9° | 0.4° |
| C20 | C06 | C05 | H7 | 176.0° | 179.9° |
| C06 | C20 | C21 | H11 | 179.0° | 179.7° |
| C06 | C07 | N19 | C08 | 172.6° | 179.6° |
| C06 | C07 | N19 | C10 | 174.8° | 180.0° |
| C06 | C07 | C08 | S09 | 173.2° | 179.8° |
| C07 | C06 | C05 | H7 | 4.8° | 0.0° |
| C06 | C07 | C08 | H8 | 6.8° | 0.0° |
| C07 | C06 | C20 | H10 | 5.4° | 0.0° |
| N19 | C07 | C08 | S09 | 1.6° | 0.6° |
| C07 | N19 | C10 | S09 | 1.9° | 0.0° |
| C07 | N19 | C10 | C11 | 177.8° | 179.7° |
| N19 | C07 | C08 | H8 | 178.4° | 179.6° |
| C08 | C07 | N19 | C10 | 2.2° | 0.4° |
| C07 | C08 | S09 | H8 | 180.0° | 179.8° |
| C07 | C08 | S09 | C10 | 0.5° | 0.5° |
| N19 | C10 | S09 | C08 | 0.9° | 0.3° |
| N19 | C10 | S09 | C11 | 179.7° | 179.7° |
| N19 | C10 | C11 | C12 | 91.1° | 89.7° |
| N19 | C10 | C11 | H1 | 28.9° | 150.2° |
| N19 | C10 | C11 | H2 | 149.0° | 30.3° |
| C08 | S09 | C10 | C11 | 178.8° | 180.0° |
| C18 | C17 | C16 | H5 | 180.0° | 179.5° |
| C17 | C18 | C12 | H9 | 180.0° | 179.5° |
| C18 | C17 | C16 | C15 | 1.2° | 0.2° |
| C17 | C18 | C12 | C11 | 178.5° | 179.7° |
| C17 | C18 | C12 | C13 | 1.0° | 0.5° |
| C18 | C17 | C16 | H4 | 178.8° | 179.8° |
| C16 | C17 | C18 | C12 | 1.6° | 0.5° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | C13 | 0.3° | 0.0° |
| C17 | C16 | C15 | H3 | 179.7° | 180.0° |
| C16 | C17 | C18 | H9 | 178.4° | 180.0° |
| C18 | C12 | C11 | C10 | 100.2° | 95.2° |
| C18 | C12 | C11 | C13 | 179.6° | 179.7° |
| C18 | C12 | C13 | C15 | 0.2° | 0.3° |
| C18 | C12 | C13 | F14 | 178.8° | 179.8° |
| C18 | C12 | C11 | H1 | 19.8° | 144.7° |
| C18 | C12 | C11 | H2 | 139.9° | 24.8° |
| C12 | C18 | C17 | H5 | 178.4° | 180.0° |
| C16 | C15 | C13 | C12 | 0.2° | 0.0° |
| C16 | C15 | C13 | H3 | 180.0° | 180.0° |
| C16 | C15 | C13 | F14 | 179.1° | 180.0° |
| C15 | C16 | C17 | H5 | 178.8° | 179.8° |
| S09 | C10 | C11 | C12 | 89.3° | 90.0° |
| S09 | C10 | C11 | H1 | 150.8° | 30.1° |
| S09 | C10 | C11 | H2 | 30.7° | 150.0° |
| C10 | S09 | C08 | H8 | 179.5° | 179.7° |
| C10 | C11 | C12 | H1 | 119.9° | 120.1° |
| C10 | C11 | C12 | H2 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 80.3° | 85.0° |
| C10 | C11 | H1 | H2 | 120.1° | 120.0° |
| C11 | C12 | C13 | C15 | 179.4° | 180.0° |
| C11 | C12 | C13 | F14 | 1.6° | 0.0° |
| C12 | C11 | H1 | H2 | 120.2° | 120.0° |
| C11 | C12 | C18 | H9 | 1.5° | 0.2° |
| C12 | C13 | C15 | F14 | 178.9° | 180.0° |
| C13 | C12 | C11 | H1 | 159.8° | 35.0° |
| C13 | C12 | C11 | H2 | 39.7° | 155.0° |
| C12 | C13 | C15 | H3 | 179.8° | 180.0° |
| C13 | C12 | C18 | H9 | 179.0° | 180.0° |
| C13 | C15 | C16 | H4 | 179.7° | 180.0° |
| F14 | C13 | C15 | H3 | 0.9° | 0.0° |
| H3 | C15 | C16 | H4 | 0.3° | 0.0° |
| H4 | C16 | C17 | H5 | 1.2° | 0.3° |
| H5 | C17 | C18 | H9 | 1.6° | 0.5° |
| H6 | C04 | C05 | H7 | 2.4° | 0.1° |
| H10 | C20 | C21 | H11 | 1.0° | 0.0° |
| H12 | C23 | C24 | H14 | 59.7° | 180.0° |
| H12 | C23 | C24 | H15 | 60.3° | 60.0° |
| H12 | C23 | C24 | H16 | 179.7° | 60.0° |
| H13 | C23 | C24 | H14 | 59.7° | 60.0° |
| H13 | C23 | C24 | H15 | 179.8° | 180.0° |
| H13 | C23 | C24 | H16 | 60.3° | 60.0° |
| H14 | C24 | H15 | H16 | 120.0° | 120.0° |
| H17 | C25 | C26 | H19 | 59.6° | 180.0° |
| H17 | C25 | C26 | H20 | 60.4° | 60.0° |
| H17 | C25 | C26 | H21 | 179.6° | 60.0° |
| H18 | C25 | C26 | H19 | 59.6° | 60.0° |
| H18 | C25 | C26 | H20 | 179.6° | 180.0° |
| H18 | C25 | C26 | H21 | 60.4° | 60.0° |
| H19 | C26 | H20 | H21 | 120.0° | 119.9° |
