WRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL22 | C01 | sing | 1.74Å | 1.80Å | |
| C01 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | N08 | sing | 1.46Å | 1.43Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| N08 | C09 | sing | 1.35Å | 1.44Å | |
| C02 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| O19 | C17 | doub | 1.21Å | 1.19Å | |
| C09 | C10 | sing | 1.48Å | 1.50Å | |
| C09 | O20 | doub | 1.22Å | 1.20Å | |
| C03 | CL21 | sing | 1.74Å | 1.78Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C13 | N16 | sing | 1.39Å | 1.44Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C23 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL22 | C01 | C02 | 117.6° | 120.0° |
| CL22 | C01 | C06 | 123.5° | 120.0° |
| C02 | C01 | C06 | 118.9° | 120.0° |
| C01 | C02 | C03 | 119.8° | 120.0° |
| C01 | C02 | H021 | 120.1° | 120.0° |
| C01 | C06 | C07 | 117.8° | 120.0° |
| C01 | C06 | C05 | 121.3° | 120.0° |
| N08 | C07 | C06 | 99.1° | 109.4° |
| C07 | N08 | C09 | 115.0° | 120.0° |
| N08 | C07 | H071 | 112.0° | 109.5° |
| N08 | C07 | H072 | 112.0° | 109.5° |
| C07 | N08 | H081 | 122.5° | 120.0° |
| C07 | C06 | C05 | 120.8° | 120.0° |
| C06 | C07 | H071 | 112.0° | 109.4° |
| C06 | C07 | H072 | 112.0° | 109.4° |
| N08 | C09 | C10 | 114.9° | 120.0° |
| N08 | C09 | O20 | 124.1° | 120.0° |
| C09 | N08 | H081 | 122.5° | 120.0° |
| C02 | C03 | CL21 | 116.2° | 120.0° |
| C02 | C03 | C04 | 121.8° | 120.0° |
| C03 | C02 | H021 | 120.1° | 120.0° |
| C06 | C05 | C04 | 119.0° | 120.0° |
| C06 | C05 | H051 | 120.5° | 120.0° |
| C12 | C11 | C10 | 118.9° | 120.0° |
| C11 | C12 | C13 | 118.1° | 120.0° |
| C12 | C11 | H111 | 120.5° | 120.1° |
| C11 | C12 | H121 | 120.9° | 120.0° |
| C11 | C10 | C09 | 118.6° | 120.1° |
| C11 | C10 | C15 | 123.1° | 119.8° |
| C10 | C11 | H111 | 120.6° | 120.0° |
| C12 | C13 | N16 | 124.6° | 119.9° |
| C12 | C13 | C14 | 121.9° | 120.1° |
| C13 | C12 | H121 | 121.0° | 119.9° |
| O19 | C17 | N16 | 126.0° | 120.0° |
| O19 | C17 | C18 | 123.2° | 120.0° |
| C10 | C09 | O20 | 120.9° | 120.0° |
| C09 | C10 | C15 | 118.2° | 120.1° |
| CL21 | C03 | C04 | 122.0° | 120.0° |
| C03 | C04 | C05 | 119.1° | 120.0° |
| C03 | C04 | H041 | 120.4° | 120.0° |
| C10 | C15 | C14 | 117.6° | 120.0° |
| C10 | C15 | H151 | 121.2° | 120.0° |
| C05 | C04 | H041 | 120.4° | 120.0° |
| C04 | C05 | H051 | 120.5° | 120.0° |
| N16 | C17 | C18 | 110.9° | 120.0° |
| C17 | N16 | C13 | 130.7° | 120.0° |
| C17 | N16 | H161 | 114.7° | 120.0° |
| C17 | C18 | C23 | 105.2° | 109.5° |
| C17 | C18 | H181 | 110.5° | 109.5° |
| C17 | C18 | H182 | 110.5° | 109.5° |
| N16 | C13 | C14 | 113.5° | 119.9° |
| C13 | N16 | H161 | 114.6° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.1° |
| C13 | C14 | H141 | 119.8° | 120.0° |
| C15 | C14 | H141 | 119.8° | 120.0° |
| C14 | C15 | H151 | 121.2° | 120.1° |
| C23 | C18 | H181 | 110.6° | 109.5° |
| C23 | C18 | H182 | 110.5° | 109.4° |
| C18 | C23 | H233 | 109.5° | 109.5° |
| C18 | C23 | H231 | 109.5° | 109.5° |
| C18 | C23 | H232 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.4° | 109.6° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL22 | C01 | C02 | C06 | 178.0° | 179.7° |
| CL22 | C01 | C06 | C07 | 2.5° | 0.3° |
| CL22 | C01 | C02 | C03 | 179.6° | 179.7° |
| CL22 | C01 | C06 | C05 | 179.8° | 179.7° |
| CL22 | C01 | C02 | H021 | 0.4° | 0.3° |
| C02 | C01 | C06 | C07 | 179.7° | 180.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 2.3° | 0.1° |
| C01 | C02 | C03 | CL21 | 179.6° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.1° |
| C01 | C06 | C07 | N08 | 68.5° | 80.0° |
| C01 | C06 | C07 | C05 | 177.4° | 180.0° |
| C06 | C01 | C02 | C03 | 1.6° | 0.1° |
| C01 | C06 | C05 | C04 | 1.9° | 0.1° |
| C06 | C01 | C02 | H021 | 178.4° | 180.0° |
| C01 | C06 | C05 | H051 | 178.2° | 179.9° |
| C01 | C06 | C07 | H071 | 173.2° | 160.1° |
| C01 | C06 | C07 | H072 | 49.9° | 40.0° |
| N08 | C07 | C06 | H071 | 118.3° | 120.0° |
| N08 | C07 | C06 | H072 | 118.3° | 120.0° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| N08 | C07 | C06 | C05 | 108.9° | 100.0° |
| C07 | N08 | C09 | C10 | 177.7° | 180.0° |
| C07 | N08 | C09 | O20 | 3.9° | 0.0° |
| N08 | C07 | H071 | H072 | 124.8° | 120.0° |
| C06 | C07 | N08 | C09 | 87.1° | 180.0° |
| C07 | C06 | C05 | C04 | 179.1° | 179.9° |
| C07 | C06 | C05 | H051 | 0.9° | 0.0° |
| C06 | C07 | H071 | H072 | 124.8° | 120.0° |
| C06 | C07 | N08 | H081 | 92.9° | 0.0° |
| N08 | C09 | C10 | C11 | 11.0° | 0.2° |
| N08 | C09 | C10 | O20 | 178.5° | 180.0° |
| N08 | C09 | C10 | C15 | 172.9° | 180.0° |
| C09 | N08 | C07 | H071 | 31.2° | 60.1° |
| C09 | N08 | C07 | H072 | 154.6° | 60.0° |
| C02 | C03 | CL21 | C04 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | H041 | 179.4° | 180.0° |
| C05 | C06 | C07 | H071 | 9.4° | 20.0° |
| C05 | C06 | C07 | H072 | 132.8° | 140.1° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 178.3° | 179.7° |
| C12 | C11 | C10 | C15 | 2.4° | 0.1° |
| C11 | C12 | C13 | N16 | 179.6° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 1.1° | 0.0° |
| C11 | C10 | C09 | C15 | 176.1° | 179.8° |
| C11 | C10 | C09 | O20 | 170.5° | 179.7° |
| C11 | C10 | C15 | C14 | 2.3° | 0.1° |
| C10 | C11 | C12 | H121 | 178.9° | 180.0° |
| C11 | C10 | C15 | H151 | 177.7° | 180.0° |
| C12 | C13 | N16 | C17 | 7.4° | 35.1° |
| C12 | C13 | N16 | C14 | 179.5° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H111 | 178.9° | 180.0° |
| C12 | C13 | C14 | H141 | 179.8° | 179.9° |
| C12 | C13 | N16 | H161 | 172.5° | 144.8° |
| O19 | C17 | N16 | C18 | 180.0° | 180.0° |
| O19 | C17 | N16 | C13 | 0.8° | 4.5° |
| O19 | C17 | C18 | C23 | 149.6° | 0.1° |
| O19 | C17 | C18 | H181 | 30.2° | 120.0° |
| O19 | C17 | C18 | H182 | 91.1° | 120.0° |
| O19 | C17 | N16 | H161 | 179.2° | 175.3° |
| C09 | C10 | C15 | C14 | 178.2° | 179.7° |
| C09 | C10 | C11 | H111 | 1.7° | 0.2° |
| C09 | C10 | C15 | H151 | 1.8° | 0.2° |
| C10 | C09 | N08 | H081 | 2.3° | 0.0° |
| O20 | C09 | C10 | C15 | 5.6° | 0.1° |
| O20 | C09 | N08 | H081 | 176.1° | 180.0° |
| CL21 | C03 | C04 | C05 | 179.9° | 179.9° |
| CL21 | C03 | C02 | H021 | 0.4° | 0.0° |
| CL21 | C03 | C04 | H041 | 0.1° | 0.1° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C04 | C03 | C02 | H021 | 179.6° | 180.0° |
| C03 | C04 | C05 | H051 | 179.4° | 179.9° |
| C10 | C15 | C14 | C13 | 1.0° | 0.0° |
| C10 | C15 | C14 | H151 | 180.0° | 179.9° |
| C15 | C10 | C11 | H111 | 177.6° | 180.0° |
| C10 | C15 | C14 | H141 | 179.0° | 180.0° |
| C17 | N16 | C13 | H161 | 180.0° | 179.9° |
| C17 | N16 | C13 | C14 | 172.1° | 144.9° |
| N16 | C17 | C18 | C23 | 30.4° | 180.0° |
| N16 | C17 | C18 | H181 | 149.7° | 60.0° |
| N16 | C17 | C18 | H182 | 88.9° | 60.0° |
| C18 | C17 | N16 | C13 | 179.2° | 175.5° |
| C17 | C18 | C23 | H181 | 119.3° | 120.1° |
| C17 | C18 | C23 | H182 | 119.3° | 120.0° |
| C17 | C18 | H181 | H182 | 122.0° | 120.0° |
| C17 | C18 | C23 | H233 | 180.0° | 60.0° |
| C17 | C18 | C23 | H231 | 60.0° | 60.1° |
| C17 | C18 | C23 | H232 | 60.0° | 180.0° |
| C18 | C17 | N16 | H161 | 0.8° | 4.6° |
| N16 | C13 | C14 | C15 | 179.7° | 180.0° |
| N16 | C13 | C12 | H121 | 0.3° | 0.0° |
| N16 | C13 | C14 | H141 | 0.2° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C13 | C14 | C15 | H151 | 179.0° | 180.0° |
| C14 | C13 | N16 | H161 | 7.9° | 35.2° |
| C23 | C18 | H181 | H182 | 122.0° | 120.0° |
| C18 | C23 | H233 | H231 | 120.0° | 120.0° |
| C18 | C23 | H233 | H232 | 120.0° | 120.0° |
| C18 | C23 | H231 | H232 | 120.0° | 119.9° |
| H111 | C11 | C12 | H121 | 1.0° | 0.0° |
| H141 | C14 | C15 | H151 | 1.0° | 0.1° |
| H181 | C18 | C23 | H233 | 60.7° | 179.9° |
| H181 | C18 | C23 | H231 | 179.3° | 60.0° |
| H181 | C18 | C23 | H232 | 59.3° | 59.9° |
| H182 | C18 | C23 | H233 | 60.7° | 60.0° |
| H182 | C18 | C23 | H231 | 59.3° | 180.0° |
| H182 | C18 | C23 | H232 | 179.3° | 60.0° |
| H041 | C04 | C05 | H051 | 0.6° | 0.0° |
| H071 | C07 | N08 | H081 | 148.8° | 119.9° |
| H072 | C07 | N08 | H081 | 25.4° | 120.0° |
| H233 | C23 | H231 | H232 | 119.9° | 120.0° |
