YCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | N11 | sing | 1.28Å | 1.36Å | Aromatic |
| N12 | N13 | doub | 1.29Å | 1.33Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| N11 | C10 | doub | 1.31Å | 1.35Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.19Å | |
| N13 | N14 | sing | 1.41Å | 1.35Å | Aromatic |
| C10 | N14 | sing | 1.35Å | 1.33Å | Aromatic |
| C10 | N09 | sing | 1.39Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| N18 | N17 | sing | 1.29Å | 1.38Å | Aromatic |
| N18 | C06 | doub | 1.31Å | 1.33Å | Aromatic |
| C07 | N09 | sing | 1.35Å | 1.43Å | |
| C07 | C01 | sing | 1.47Å | 1.51Å | |
| N17 | C16 | doub | 1.31Å | 1.35Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.46Å | |
| C06 | C01 | sing | 1.47Å | 1.57Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | S19 | sing | 1.81Å | 1.81Å | |
| C01 | C02 | doub | 1.39Å | 1.47Å | Aromatic |
| C16 | N05 | sing | 1.37Å | 1.36Å | Aromatic |
| C16 | S19 | sing | 1.76Å | 1.81Å | |
| N05 | C04 | sing | 1.36Å | 1.55Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.45Å | Aromatic |
| C04 | C03 | doub | 1.35Å | 1.51Å | Aromatic |
| C04 | C23 | sing | 1.51Å | 1.52Å | |
| F25 | C23 | sing | 1.40Å | 1.36Å | |
| C23 | F24 | sing | 1.40Å | 1.37Å | |
| C23 | F26 | sing | 1.40Å | 1.37Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| N09 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | N12 | N13 | 107.6° | 110.3° |
| N12 | N11 | C10 | 106.9° | 110.5° |
| N12 | N13 | N14 | 109.2° | 106.7° |
| C22 | C21 | C20 | 109.1° | 109.5° |
| C22 | C21 | H6 | 109.6° | 109.5° |
| C22 | C21 | H7 | 109.6° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| N11 | C10 | N14 | 109.5° | 107.2° |
| N11 | C10 | N09 | 127.7° | 126.4° |
| O08 | C07 | N09 | 121.0° | 120.0° |
| O08 | C07 | C01 | 120.0° | 120.0° |
| N13 | N14 | C10 | 106.8° | 105.3° |
| N13 | N14 | C15 | 128.0° | 127.3° |
| N14 | C10 | N09 | 122.7° | 126.4° |
| C10 | N14 | C15 | 125.2° | 127.4° |
| C10 | N09 | C07 | 117.8° | 120.0° |
| C10 | N09 | H13 | 121.1° | 120.0° |
| C21 | C20 | S19 | 110.3° | 109.4° |
| C21 | C20 | H4 | 109.3° | 109.4° |
| C21 | C20 | H5 | 109.3° | 109.5° |
| C20 | C21 | H6 | 109.6° | 109.5° |
| C20 | C21 | H7 | 109.6° | 109.5° |
| N17 | N18 | C06 | 107.3° | 109.8° |
| N18 | N17 | C16 | 108.1° | 110.4° |
| N18 | C06 | C01 | 131.5° | 133.9° |
| N18 | C06 | N05 | 109.4° | 107.0° |
| N09 | C07 | C01 | 119.0° | 119.9° |
| C07 | N09 | H13 | 121.1° | 120.0° |
| C07 | C01 | C06 | 120.1° | 120.9° |
| C07 | C01 | C02 | 118.4° | 120.9° |
| N17 | C16 | N05 | 108.5° | 107.2° |
| N17 | C16 | S19 | 125.1° | 126.4° |
| N14 | C15 | H1 | 109.5° | 109.5° |
| N14 | C15 | H2 | 109.5° | 109.5° |
| N14 | C15 | H3 | 109.5° | 109.4° |
| C01 | C06 | N05 | 119.2° | 119.0° |
| C06 | C01 | C02 | 121.5° | 118.2° |
| C06 | N05 | C16 | 106.7° | 105.6° |
| C06 | N05 | C04 | 119.9° | 120.4° |
| C20 | S19 | C16 | 107.9° | 103.0° |
| S19 | C20 | H4 | 109.3° | 109.5° |
| S19 | C20 | H5 | 109.3° | 109.5° |
| C01 | C02 | C03 | 119.4° | 119.4° |
| C01 | C02 | H11 | 120.3° | 120.2° |
| N05 | C16 | S19 | 126.4° | 126.4° |
| C16 | N05 | C04 | 133.4° | 133.9° |
| N05 | C04 | C03 | 120.7° | 121.6° |
| N05 | C04 | C23 | 122.7° | 119.2° |
| C02 | C03 | C04 | 119.3° | 121.3° |
| C03 | C02 | H11 | 120.3° | 120.3° |
| C02 | C03 | H12 | 120.3° | 119.4° |
| C03 | C04 | C23 | 116.6° | 119.2° |
| C04 | C03 | H12 | 120.3° | 119.3° |
| C04 | C23 | F25 | 109.4° | 109.5° |
| C04 | C23 | F24 | 107.6° | 109.4° |
| C04 | C23 | F26 | 110.5° | 109.5° |
| F25 | C23 | F24 | 108.5° | 109.5° |
| F25 | C23 | F26 | 110.4° | 109.5° |
| F24 | C23 | F26 | 110.3° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.4° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | N12 | N13 | N14 | 0.5° | 0.4° |
| N12 | N11 | C10 | N14 | 0.8° | 0.0° |
| N12 | N11 | C10 | N09 | 177.8° | 179.7° |
| N13 | N12 | N11 | C10 | 0.8° | 0.3° |
| N12 | N13 | N14 | C10 | 0.0° | 0.4° |
| N12 | N13 | N14 | C15 | 179.2° | 179.6° |
| C22 | C21 | C20 | H6 | 120.0° | 120.0° |
| C22 | C21 | C20 | H7 | 119.9° | 120.0° |
| C22 | C21 | C20 | S19 | 115.8° | 180.0° |
| C22 | C21 | C20 | H4 | 124.0° | 60.0° |
| C22 | C21 | C20 | H5 | 4.3° | 60.0° |
| C22 | C21 | H6 | H7 | 120.2° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H10 | 120.0° | 120.0° |
| C21 | C22 | H9 | H10 | 120.0° | 120.0° |
| N11 | C10 | N14 | N13 | 0.5° | 0.2° |
| N11 | C10 | N14 | N09 | 177.2° | 179.7° |
| N11 | C10 | N09 | C07 | 5.0° | 0.3° |
| N11 | C10 | N14 | C15 | 179.8° | 179.8° |
| N11 | C10 | N09 | H13 | 175.0° | 179.7° |
| O08 | C07 | N09 | C10 | 1.9° | 0.0° |
| O08 | C07 | N09 | C01 | 179.9° | 180.0° |
| O08 | C07 | C01 | C06 | 88.5° | 179.7° |
| O08 | C07 | C01 | C02 | 91.0° | 0.0° |
| O08 | C07 | N09 | H13 | 178.1° | 179.9° |
| N13 | N14 | C10 | C15 | 179.3° | 180.0° |
| N13 | N14 | C10 | N09 | 177.7° | 180.0° |
| N13 | N14 | C15 | H1 | 0.0° | 90.0° |
| N13 | N14 | C15 | H2 | 120.0° | 30.0° |
| N13 | N14 | C15 | H3 | 120.0° | 150.0° |
| N14 | C10 | N09 | C07 | 178.3° | 180.0° |
| C10 | N14 | C15 | H1 | 179.1° | 90.0° |
| C10 | N14 | C15 | H2 | 60.9° | 149.9° |
| C10 | N14 | C15 | H3 | 59.1° | 29.9° |
| N14 | C10 | N09 | H13 | 1.7° | 0.0° |
| C10 | N09 | C07 | H13 | 180.0° | 180.0° |
| C10 | N09 | C07 | C01 | 178.1° | 180.0° |
| N09 | C10 | N14 | C15 | 3.0° | 0.0° |
| C21 | C20 | S19 | H4 | 120.1° | 120.0° |
| C21 | C20 | S19 | H5 | 120.1° | 120.0° |
| C21 | C20 | S19 | C16 | 112.1° | 180.0° |
| C21 | C20 | H4 | H5 | 119.6° | 120.0° |
| C20 | C21 | H6 | H7 | 120.2° | 120.0° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C20 | C21 | C22 | H9 | 60.0° | 60.0° |
| C20 | C21 | C22 | H10 | 60.0° | 60.0° |
| N17 | N18 | C06 | C01 | 179.5° | 180.0° |
| N17 | N18 | C06 | N05 | 0.6° | 0.0° |
| N18 | N17 | C16 | N05 | 0.2° | 0.0° |
| N18 | N17 | C16 | S19 | 179.9° | 180.0° |
| N18 | C06 | C01 | C07 | 0.1° | 0.3° |
| C06 | N18 | N17 | C16 | 0.5° | 0.0° |
| N18 | C06 | C01 | N05 | 178.9° | 180.0° |
| N18 | C06 | C01 | C02 | 179.5° | 180.0° |
| N18 | C06 | N05 | C16 | 0.4° | 0.0° |
| N18 | C06 | N05 | C04 | 179.8° | 179.9° |
| N09 | C07 | C01 | C06 | 91.6° | 0.3° |
| N09 | C07 | C01 | C02 | 89.0° | 180.0° |
| C07 | C01 | C06 | C02 | 179.4° | 179.7° |
| C07 | C01 | C06 | N05 | 178.8° | 179.7° |
| C07 | C01 | C02 | C03 | 179.1° | 179.7° |
| C07 | C01 | C02 | H11 | 0.9° | 0.3° |
| C01 | C07 | N09 | H13 | 1.9° | 0.0° |
| N17 | C16 | N05 | C06 | 0.1° | 0.0° |
| N17 | C16 | S19 | C20 | 8.2° | 0.0° |
| N17 | C16 | N05 | S19 | 179.7° | 180.0° |
| N17 | C16 | N05 | C04 | 179.8° | 179.9° |
| N14 | C15 | H1 | H2 | 120.0° | 120.0° |
| N14 | C15 | H1 | H3 | 120.0° | 120.0° |
| N14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C01 | C06 | N05 | C16 | 179.5° | 180.0° |
| C01 | C06 | N05 | C04 | 0.7° | 0.1° |
| C06 | C01 | C02 | C03 | 0.4° | 0.0° |
| C06 | C01 | C02 | H11 | 179.6° | 180.0° |
| N05 | C06 | C01 | C02 | 0.6° | 0.1° |
| C06 | N05 | C16 | C04 | 179.7° | 179.9° |
| C06 | N05 | C16 | S19 | 179.6° | 180.0° |
| C06 | N05 | C04 | C03 | 0.6° | 0.1° |
| C06 | N05 | C04 | C23 | 179.9° | 179.9° |
| C20 | S19 | C16 | N05 | 172.2° | 180.0° |
| S19 | C20 | H4 | H5 | 119.6° | 120.1° |
| S19 | C20 | C21 | H6 | 4.1° | 60.0° |
| S19 | C20 | C21 | H7 | 124.2° | 60.0° |
| C01 | C02 | C03 | H11 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | H12 | 179.7° | 180.0° |
| C16 | N05 | C04 | C03 | 179.7° | 180.0° |
| C16 | N05 | C04 | C23 | 0.3° | 0.1° |
| S19 | C16 | N05 | C04 | 0.2° | 0.1° |
| C16 | S19 | C20 | H4 | 127.8° | 60.0° |
| C16 | S19 | C20 | H5 | 8.0° | 60.0° |
| N05 | C04 | C03 | C02 | 0.4° | 0.0° |
| N05 | C04 | C03 | C23 | 179.5° | 180.0° |
| N05 | C04 | C23 | F25 | 56.8° | 60.0° |
| N05 | C04 | C23 | F24 | 174.6° | 179.9° |
| N05 | C04 | C23 | F26 | 64.9° | 60.0° |
| N05 | C04 | C03 | H12 | 179.6° | 179.9° |
| C02 | C03 | C04 | H12 | 180.0° | 180.0° |
| C02 | C03 | C04 | C23 | 179.8° | 180.0° |
| C03 | C04 | C23 | F25 | 122.6° | 120.0° |
| C03 | C04 | C23 | F24 | 4.9° | 0.0° |
| C03 | C04 | C23 | F26 | 115.6° | 120.0° |
| C04 | C03 | C02 | H11 | 179.7° | 180.0° |
| C04 | C23 | F25 | F24 | 117.2° | 120.0° |
| C04 | C23 | F25 | F26 | 121.8° | 120.0° |
| C04 | C23 | F24 | F26 | 120.6° | 120.0° |
| C23 | C04 | C03 | H12 | 0.1° | 0.0° |
| F25 | C23 | F24 | F26 | 121.1° | 120.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C20 | C21 | H6 | 116.0° | 60.0° |
| H4 | C20 | C21 | H7 | 4.1° | 180.0° |
| H5 | C20 | C21 | H6 | 124.2° | 180.0° |
| H5 | C20 | C21 | H7 | 115.7° | 60.0° |
| H6 | C21 | C22 | H8 | 60.1° | 60.0° |
| H6 | C21 | C22 | H9 | 60.0° | 180.0° |
| H6 | C21 | C22 | H10 | 180.0° | 60.0° |
| H7 | C21 | C22 | H8 | 60.0° | 60.0° |
| H7 | C21 | C22 | H9 | 179.9° | 60.0° |
| H7 | C21 | C22 | H10 | 59.9° | 179.9° |
| H8 | C22 | H9 | H10 | 120.0° | 119.9° |
| H11 | C02 | C03 | H12 | 0.3° | 0.0° |






