C0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.36Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N8 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | CL5 | sing | 1.74Å | 1.73Å | |
| C4 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.37Å | Aromatic |
| C7 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.49Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.37Å | |
| C11 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| O12 | C13 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | N15 | sing | 1.47Å | 1.51Å | |
| N15 | C17 | sing | 1.47Å | 1.50Å | |
| N15 | C21 | sing | 1.47Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O19 | sing | 1.43Å | 1.44Å | |
| O19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | CL23 | sing | 1.74Å | 1.74Å | |
| C22 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | CL26 | sing | 1.74Å | 1.73Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 117.1° | 119.1° |
| N1 | C2 | N8 | 117.6° | 119.2° |
| C2 | N1 | H11N | 109.5° | 120.0° |
| C2 | N1 | H12N | 109.4° | 120.0° |
| N3 | C2 | N8 | 125.2° | 121.7° |
| C2 | N3 | C4 | 115.1° | 121.0° |
| C2 | N8 | C7 | 117.1° | 120.7° |
| N3 | C4 | CL5 | 116.7° | 120.4° |
| N3 | C4 | C6 | 123.9° | 119.2° |
| CL5 | C4 | C6 | 119.5° | 120.4° |
| C4 | C6 | C7 | 117.8° | 118.5° |
| C4 | C6 | H6 | 121.1° | 120.8° |
| C6 | C7 | N8 | 120.9° | 119.0° |
| C6 | C7 | C9 | 121.2° | 120.5° |
| C7 | C6 | H6 | 121.1° | 120.8° |
| N8 | C7 | C9 | 117.9° | 120.5° |
| C7 | C9 | C10 | 117.9° | 120.1° |
| C7 | C9 | C25 | 123.6° | 120.1° |
| C10 | C9 | C25 | 118.2° | 119.8° |
| C9 | C10 | C11 | 121.0° | 119.8° |
| C9 | C10 | H10 | 119.5° | 120.1° |
| C9 | C25 | C24 | 120.9° | 120.0° |
| C9 | C25 | CL26 | 120.8° | 120.0° |
| C10 | C11 | O12 | 124.0° | 119.9° |
| C10 | C11 | C22 | 119.7° | 120.1° |
| C11 | C10 | H10 | 119.5° | 120.1° |
| O12 | C11 | C22 | 116.3° | 120.0° |
| C11 | O12 | C13 | 117.5° | 117.0° |
| C11 | C22 | CL23 | 121.1° | 119.9° |
| C11 | C22 | C24 | 120.1° | 120.2° |
| O12 | C13 | C14 | 107.8° | 109.5° |
| O12 | C13 | H131 | 110.0° | 109.5° |
| O12 | C13 | H132 | 110.4° | 109.5° |
| C13 | C14 | N15 | 113.0° | 109.5° |
| C14 | C13 | H131 | 110.1° | 109.4° |
| C14 | C13 | H132 | 110.4° | 109.5° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C13 | C14 | H142 | 107.5° | 109.5° |
| C14 | N15 | C17 | 111.9° | 111.0° |
| C14 | N15 | C21 | 111.8° | 111.0° |
| N15 | C14 | H141 | 108.3° | 109.4° |
| N15 | C14 | H142 | 107.5° | 109.5° |
| C17 | N15 | C21 | 110.5° | 110.7° |
| N15 | C17 | C18 | 109.8° | 109.3° |
| N15 | C17 | H171 | 109.3° | 109.5° |
| N15 | C17 | H172 | 109.3° | 109.5° |
| N15 | C21 | C20 | 109.6° | 109.3° |
| N15 | C21 | H211 | 109.4° | 109.5° |
| N15 | C21 | H212 | 109.4° | 109.5° |
| C17 | C18 | O19 | 111.8° | 109.2° |
| C18 | C17 | H171 | 109.3° | 109.5° |
| C18 | C17 | H172 | 109.3° | 109.5° |
| C17 | C18 | H181 | 108.7° | 109.5° |
| C17 | C18 | H182 | 108.2° | 109.5° |
| C18 | O19 | C20 | 110.5° | 113.7° |
| O19 | C18 | H181 | 108.7° | 109.5° |
| O19 | C18 | H182 | 108.1° | 109.5° |
| O19 | C20 | C21 | 111.4° | 109.2° |
| O19 | C20 | H201 | 108.8° | 109.5° |
| O19 | C20 | H202 | 108.4° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C21 | C20 | H202 | 108.4° | 109.5° |
| CL23 | C22 | C24 | 118.8° | 119.9° |
| C22 | C24 | C25 | 120.0° | 120.2° |
| C22 | C24 | H24 | 120.0° | 119.9° |
| C24 | C25 | CL26 | 118.2° | 120.0° |
| C25 | C24 | H24 | 120.0° | 119.9° |
| H11N | N1 | H12N | 109.5° | 120.0° |
| H131 | C13 | H132 | 108.2° | 109.4° |
| H141 | C14 | H142 | 112.2° | 109.4° |
| H171 | C17 | H172 | 109.8° | 109.5° |
| H211 | C21 | H212 | 109.6° | 109.5° |
| H181 | C18 | H182 | 111.3° | 109.6° |
| H201 | C20 | H202 | 111.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | N8 | 178.7° | 179.8° |
| N1 | C2 | N3 | C4 | 179.2° | 180.0° |
| N1 | C2 | N8 | C7 | 180.0° | 179.7° |
| C2 | N1 | H11N | H12N | 120.0° | 179.7° |
| C2 | N3 | C4 | CL5 | 179.4° | 179.9° |
| C2 | N3 | C4 | C6 | 0.8° | 0.1° |
| N3 | C2 | N8 | C7 | 1.3° | 0.5° |
| N3 | C2 | N1 | H11N | 15.6° | 0.0° |
| N3 | C2 | N1 | H12N | 135.6° | 179.7° |
| N8 | C2 | N3 | C4 | 0.5° | 0.2° |
| C2 | N8 | C7 | C6 | 0.9° | 0.5° |
| C2 | N8 | C7 | C9 | 179.8° | 179.7° |
| N8 | C2 | N1 | H11N | 163.3° | 179.8° |
| N8 | C2 | N1 | H12N | 43.3° | 0.5° |
| N3 | C4 | CL5 | C6 | 178.7° | 180.0° |
| N3 | C4 | C6 | C7 | 1.1° | 0.0° |
| N3 | C4 | C6 | H6 | 178.9° | 180.0° |
| CL5 | C4 | C6 | C7 | 179.8° | 180.0° |
| CL5 | C4 | C6 | H6 | 0.3° | 0.0° |
| C4 | C6 | C7 | H6 | 180.0° | 180.0° |
| C4 | C6 | C7 | N8 | 0.2° | 0.3° |
| C4 | C6 | C7 | C9 | 178.7° | 180.0° |
| C6 | C7 | N8 | C9 | 178.9° | 179.7° |
| C6 | C7 | C9 | C10 | 62.4° | 47.6° |
| C6 | C7 | C9 | C25 | 111.7° | 132.8° |
| N8 | C7 | C9 | C10 | 118.7° | 132.2° |
| N8 | C7 | C9 | C25 | 67.2° | 47.5° |
| N8 | C7 | C6 | H6 | 179.8° | 179.8° |
| C7 | C9 | C10 | C25 | 174.5° | 179.7° |
| C7 | C9 | C10 | C11 | 178.4° | 180.0° |
| C7 | C9 | C25 | C24 | 177.1° | 179.7° |
| C7 | C9 | C25 | CL26 | 4.3° | 0.0° |
| C9 | C7 | C6 | H6 | 1.3° | 0.0° |
| C7 | C9 | C10 | H10 | 1.6° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | O12 | 178.7° | 180.0° |
| C9 | C10 | C11 | C22 | 3.1° | 0.0° |
| C10 | C9 | C25 | C24 | 3.0° | 0.6° |
| C10 | C9 | C25 | CL26 | 178.4° | 179.7° |
| C25 | C9 | C10 | C11 | 3.9° | 0.3° |
| C9 | C25 | C24 | C22 | 1.2° | 0.6° |
| C9 | C25 | C24 | CL26 | 178.7° | 179.7° |
| C25 | C9 | C10 | H10 | 176.0° | 179.7° |
| C9 | C25 | C24 | H24 | 178.8° | 179.7° |
| C10 | C11 | O12 | C22 | 178.2° | 180.0° |
| C10 | C11 | O12 | C13 | 4.6° | 0.0° |
| C10 | C11 | C22 | CL23 | 178.6° | 179.9° |
| C10 | C11 | C22 | C24 | 1.3° | 0.0° |
| C11 | O12 | C13 | C14 | 177.0° | 180.0° |
| O12 | C11 | C22 | CL23 | 0.3° | 0.0° |
| O12 | C11 | C22 | C24 | 179.6° | 180.0° |
| O12 | C11 | C10 | H10 | 1.3° | 0.0° |
| C11 | O12 | C13 | H131 | 63.0° | 60.0° |
| C11 | O12 | C13 | H132 | 56.3° | 60.0° |
| C22 | C11 | O12 | C13 | 173.6° | 180.0° |
| C11 | C22 | CL23 | C24 | 179.8° | 179.9° |
| C11 | C22 | C24 | C25 | 0.3° | 0.3° |
| C22 | C11 | C10 | H10 | 176.8° | 180.0° |
| C11 | C22 | C24 | H24 | 179.7° | 180.0° |
| O12 | C13 | C14 | H131 | 120.0° | 120.0° |
| O12 | C13 | C14 | H132 | 120.7° | 120.1° |
| O12 | C13 | C14 | N15 | 68.4° | 65.0° |
| O12 | C13 | H131 | H132 | 120.7° | 120.0° |
| O12 | C13 | C14 | H141 | 171.6° | 175.0° |
| O12 | C13 | C14 | H142 | 50.0° | 55.0° |
| C13 | C14 | N15 | H141 | 120.0° | 120.0° |
| C13 | C14 | N15 | H142 | 118.5° | 120.0° |
| C13 | C14 | N15 | C17 | 48.3° | 170.0° |
| C13 | C14 | N15 | C21 | 76.2° | 66.4° |
| C14 | C13 | H131 | H132 | 120.7° | 120.0° |
| C13 | C14 | H141 | H142 | 118.6° | 120.0° |
| C14 | N15 | C17 | C21 | 125.3° | 123.8° |
| C14 | N15 | C17 | C18 | 179.6° | 177.6° |
| C14 | N15 | C21 | C20 | 179.5° | 177.6° |
| N15 | C14 | C13 | H131 | 51.6° | 55.0° |
| N15 | C14 | C13 | H132 | 170.9° | 175.0° |
| N15 | C14 | H141 | H142 | 118.5° | 119.9° |
| C14 | N15 | C17 | H171 | 59.6° | 62.4° |
| C14 | N15 | C17 | H172 | 60.5° | 57.6° |
| C14 | N15 | C21 | H211 | 59.5° | 57.7° |
| C14 | N15 | C21 | H212 | 60.6° | 62.4° |
| N15 | C17 | C18 | H171 | 120.0° | 119.9° |
| N15 | C17 | C18 | H172 | 119.9° | 120.0° |
| N15 | C17 | C18 | O19 | 56.3° | 56.9° |
| C17 | N15 | C21 | C20 | 55.2° | 58.6° |
| C17 | N15 | C14 | H141 | 71.7° | 70.0° |
| C17 | N15 | C14 | H142 | 166.8° | 50.0° |
| N15 | C17 | H171 | H172 | 119.9° | 120.1° |
| C17 | N15 | C21 | H211 | 175.2° | 178.6° |
| C17 | N15 | C21 | H212 | 64.7° | 61.4° |
| N15 | C17 | C18 | H181 | 176.3° | 176.7° |
| N15 | C17 | C18 | H182 | 62.7° | 63.1° |
| C21 | N15 | C17 | C18 | 54.3° | 58.6° |
| N15 | C21 | C20 | O19 | 58.0° | 56.9° |
| N15 | C21 | C20 | H211 | 120.0° | 119.9° |
| N15 | C21 | C20 | H212 | 119.9° | 120.0° |
| C21 | N15 | C14 | H141 | 163.8° | 53.7° |
| C21 | N15 | C14 | H142 | 42.3° | 173.6° |
| C21 | N15 | C17 | H171 | 65.6° | 61.3° |
| C21 | N15 | C17 | H172 | 174.2° | 178.6° |
| N15 | C21 | H211 | H212 | 120.0° | 120.1° |
| N15 | C21 | C20 | H201 | 177.9° | 176.8° |
| N15 | C21 | C20 | H202 | 61.2° | 63.1° |
| C17 | C18 | O19 | H181 | 120.0° | 119.9° |
| C17 | C18 | O19 | H182 | 119.0° | 119.9° |
| C17 | C18 | O19 | C20 | 58.9° | 58.7° |
| C18 | C17 | H171 | H172 | 119.9° | 120.1° |
| C17 | C18 | H181 | H182 | 119.0° | 120.1° |
| C18 | O19 | C20 | C21 | 59.7° | 58.7° |
| O19 | C18 | C17 | H171 | 63.7° | 63.1° |
| O19 | C18 | C17 | H172 | 176.1° | 176.8° |
| O19 | C18 | H181 | H182 | 119.0° | 120.2° |
| C18 | O19 | C20 | H201 | 179.7° | 178.6° |
| C18 | O19 | C20 | H202 | 59.5° | 61.2° |
| O19 | C20 | C21 | H201 | 120.0° | 119.9° |
| O19 | C20 | C21 | H202 | 119.2° | 120.0° |
| O19 | C20 | C21 | H211 | 178.0° | 176.8° |
| O19 | C20 | C21 | H212 | 62.0° | 63.1° |
| C20 | O19 | C18 | H181 | 178.9° | 178.6° |
| C20 | O19 | C18 | H182 | 60.1° | 61.2° |
| O19 | C20 | H201 | H202 | 119.2° | 120.2° |
| C20 | C21 | H211 | H212 | 120.0° | 120.1° |
| C21 | C20 | H201 | H202 | 119.2° | 120.1° |
| CL23 | C22 | C24 | C25 | 179.5° | 179.7° |
| CL23 | C22 | C24 | H24 | 0.5° | 0.1° |
| C22 | C24 | C25 | H24 | 180.0° | 179.8° |
| C22 | C24 | C25 | CL26 | 179.8° | 179.7° |
| CL26 | C25 | C24 | H24 | 0.2° | 0.0° |
| H131 | C13 | C14 | H141 | 68.4° | 65.0° |
| H131 | C13 | C14 | H142 | 170.0° | 175.0° |
| H132 | C13 | C14 | H141 | 50.9° | 55.0° |
| H132 | C13 | C14 | H142 | 70.6° | 65.0° |
| H171 | C17 | C18 | H181 | 56.3° | 56.8° |
| H171 | C17 | C18 | H182 | 177.3° | 177.0° |
| H172 | C17 | C18 | H181 | 63.9° | 63.3° |
| H172 | C17 | C18 | H182 | 57.1° | 56.9° |
| H211 | C21 | C20 | H201 | 62.1° | 63.3° |
| H211 | C21 | C20 | H202 | 58.8° | 56.9° |
| H212 | C21 | C20 | H201 | 58.0° | 56.8° |
| H212 | C21 | C20 | H202 | 178.8° | 177.0° |
