PCO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N19 | sing | 1.40Å | 1.35Å | |
| C23 | C24 | doub | 1.33Å | 1.34Å | |
| C23 | HC23 | sing | 1.08Å | 1.10Å | |
| N19 | C17 | sing | 1.35Å | 1.35Å | |
| N19 | HN19 | sing | 0.97Å | 1.02Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C17 | O18 | doub | 1.21Å | 1.25Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C15 | N14 | sing | 1.46Å | 1.46Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| N14 | C12 | sing | 1.35Å | 1.35Å | |
| N14 | HN14 | sing | 0.97Å | 1.02Å | |
| C12 | C10 | sing | 1.51Å | 1.54Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C10 | C7 | sing | 1.53Å | 1.60Å | |
| C10 | O11 | sing | 1.43Å | 1.45Å | |
| C10 | HC10 | sing | 1.09Å | 1.12Å | |
| C7 | C6 | sing | 1.53Å | 1.59Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | C9 | sing | 1.53Å | 1.57Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C8 | HC81 | sing | 1.09Å | 1.12Å | |
| C8 | HC82 | sing | 1.09Å | 1.12Å | |
| C8 | HC83 | sing | 1.09Å | 1.11Å | |
| C9 | HC91 | sing | 1.09Å | 1.12Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| C9 | HC93 | sing | 1.09Å | 1.11Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C24 | S25 | sing | 1.76Å | 1.81Å | |
| C24 | HC24 | sing | 1.08Å | 1.10Å | |
| S25 | HS25 | sing | 1.35Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C23 | C24 | 123.2° | 120.0° |
| N19 | C23 | HC23 | 118.6° | 120.0° |
| C23 | N19 | C17 | 125.6° | 120.0° |
| C23 | N19 | HN19 | 117.2° | 120.0° |
| C24 | C23 | HC23 | 118.2° | 120.0° |
| C23 | C24 | S25 | 125.0° | 120.0° |
| C23 | C24 | HC24 | 101.7° | 120.0° |
| C17 | N19 | HN19 | 117.2° | 120.0° |
| N19 | C17 | C16 | 115.9° | 120.0° |
| N19 | C17 | O18 | 123.7° | 120.0° |
| C16 | C17 | O18 | 120.4° | 120.0° |
| C17 | C16 | C15 | 116.9° | 109.5° |
| C17 | C16 | H161 | 109.6° | 109.5° |
| C17 | C16 | H162 | 109.6° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C16 | C15 | N14 | 112.8° | 109.5° |
| C16 | C15 | H151 | 111.0° | 109.5° |
| C16 | C15 | H152 | 111.0° | 109.5° |
| H161 | C16 | H162 | 100.6° | 109.5° |
| N14 | C15 | H151 | 111.0° | 109.4° |
| N14 | C15 | H152 | 111.0° | 109.5° |
| C15 | N14 | C12 | 123.2° | 120.0° |
| C15 | N14 | HN14 | 122.5° | 120.0° |
| H151 | C15 | H152 | 99.3° | 109.5° |
| C12 | N14 | HN14 | 114.3° | 120.0° |
| N14 | C12 | C10 | 116.7° | 120.1° |
| N14 | C12 | O13 | 122.8° | 120.0° |
| C10 | C12 | O13 | 120.5° | 120.0° |
| C12 | C10 | C7 | 113.8° | 109.5° |
| C12 | C10 | O11 | 107.6° | 109.5° |
| C12 | C10 | HC10 | 107.9° | 109.5° |
| C7 | C10 | O11 | 109.8° | 109.5° |
| C7 | C10 | HC10 | 105.7° | 109.5° |
| C10 | C7 | C6 | 111.5° | 109.5° |
| C10 | C7 | C8 | 110.0° | 109.5° |
| C10 | C7 | C9 | 111.5° | 109.5° |
| O11 | C10 | HC10 | 112.1° | 109.4° |
| C10 | O11 | HO11 | 107.6° | 106.8° |
| C6 | C7 | C8 | 108.7° | 109.4° |
| C6 | C7 | C9 | 107.6° | 109.5° |
| C7 | C6 | O5 | 113.0° | 109.5° |
| C7 | C6 | HC61 | 110.9° | 109.5° |
| C7 | C6 | HC62 | 110.9° | 109.4° |
| C8 | C7 | C9 | 107.5° | 109.4° |
| C7 | C8 | HC81 | 110.0° | 109.5° |
| C7 | C8 | HC82 | 112.0° | 109.5° |
| C7 | C8 | HC83 | 112.1° | 109.4° |
| C7 | C9 | HC91 | 111.4° | 109.4° |
| C7 | C9 | HC92 | 111.4° | 109.5° |
| C7 | C9 | HC93 | 111.4° | 109.5° |
| O5 | C6 | HC61 | 110.9° | 109.5° |
| O5 | C6 | HC62 | 110.9° | 109.5° |
| C6 | O5 | HO5 | 113.1° | 106.8° |
| HC61 | C6 | HC62 | 99.5° | 109.5° |
| HC81 | C8 | HC82 | 112.0° | 109.5° |
| HC81 | C8 | HC83 | 112.0° | 109.4° |
| HC82 | C8 | HC83 | 98.3° | 109.5° |
| HC91 | C9 | HC92 | 111.5° | 109.5° |
| HC91 | C9 | HC93 | 111.6° | 109.5° |
| HC92 | C9 | HC93 | 98.9° | 109.5° |
| S25 | C24 | HC24 | 133.3° | 120.0° |
| C24 | S25 | HS25 | 125.1° | 100.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C23 | C24 | HC23 | 180.0° | 180.0° |
| C23 | N19 | C17 | HN19 | 180.0° | 180.0° |
| C23 | N19 | C17 | C16 | 179.3° | 180.0° |
| C23 | N19 | C17 | O18 | 0.7° | 0.0° |
| N19 | C23 | C24 | S25 | 1.4° | 0.0° |
| N19 | C23 | C24 | HC24 | 178.6° | 180.0° |
| C24 | C23 | N19 | C17 | 178.0° | 180.0° |
| C24 | C23 | N19 | HN19 | 1.9° | 0.0° |
| C23 | C24 | S25 | HC24 | 180.0° | 180.0° |
| C23 | C24 | S25 | HS25 | 180.0° | 180.0° |
| HC23 | C23 | N19 | C17 | 2.0° | 0.0° |
| HC23 | C23 | N19 | HN19 | 178.0° | 180.0° |
| HC23 | C23 | C24 | S25 | 178.6° | 180.0° |
| HC23 | C23 | C24 | HC24 | 1.4° | 0.0° |
| N19 | C17 | C16 | O18 | 180.0° | 180.0° |
| N19 | C17 | C16 | C15 | 151.3° | 180.0° |
| N19 | C17 | C16 | H161 | 26.1° | 60.0° |
| N19 | C17 | C16 | H162 | 83.4° | 60.0° |
| HN19 | N19 | C17 | C16 | 0.7° | 0.0° |
| HN19 | N19 | C17 | O18 | 179.3° | 180.0° |
| C17 | C16 | C15 | H161 | 125.3° | 120.0° |
| C17 | C16 | C15 | H162 | 125.3° | 120.0° |
| C17 | C16 | H161 | H162 | 115.4° | 120.0° |
| C17 | C16 | C15 | N14 | 47.0° | 180.0° |
| C17 | C16 | C15 | H151 | 78.3° | 60.0° |
| C17 | C16 | C15 | H152 | 172.3° | 60.0° |
| O18 | C17 | C16 | C15 | 28.7° | 0.0° |
| O18 | C17 | C16 | H161 | 153.9° | 120.0° |
| O18 | C17 | C16 | H162 | 96.6° | 120.0° |
| C15 | C16 | H161 | H162 | 115.2° | 120.0° |
| C16 | C15 | N14 | H151 | 125.3° | 120.0° |
| C16 | C15 | N14 | H152 | 125.3° | 120.0° |
| C16 | C15 | H151 | H152 | 116.8° | 120.0° |
| C16 | C15 | N14 | C12 | 119.5° | 180.0° |
| C16 | C15 | N14 | HN14 | 60.5° | 0.0° |
| H161 | C16 | C15 | N14 | 172.3° | 60.0° |
| H161 | C16 | C15 | H151 | 47.0° | 180.0° |
| H161 | C16 | C15 | H152 | 62.4° | 60.0° |
| H162 | C16 | C15 | N14 | 78.3° | 60.0° |
| H162 | C16 | C15 | H151 | 156.4° | 60.0° |
| H162 | C16 | C15 | H152 | 47.0° | 180.0° |
| N14 | C15 | H151 | H152 | 116.8° | 120.0° |
| C15 | N14 | C12 | HN14 | 179.9° | 179.9° |
| C15 | N14 | C12 | C10 | 179.6° | 176.3° |
| C15 | N14 | C12 | O13 | 0.0° | 3.7° |
| H151 | C15 | N14 | C12 | 115.1° | 59.9° |
| H151 | C15 | N14 | HN14 | 64.8° | 120.0° |
| H152 | C15 | N14 | C12 | 5.7° | 60.0° |
| H152 | C15 | N14 | HN14 | 174.2° | 120.0° |
| N14 | C12 | C10 | O13 | 179.7° | 180.0° |
| N14 | C12 | C10 | C7 | 110.2° | 70.8° |
| N14 | C12 | C10 | O11 | 11.7° | 169.2° |
| N14 | C12 | C10 | HC10 | 132.9° | 49.2° |
| HN14 | N14 | C12 | C10 | 0.4° | 3.6° |
| HN14 | N14 | C12 | O13 | 179.9° | 176.4° |
| C12 | C10 | C7 | O11 | 120.7° | 120.1° |
| C12 | C10 | C7 | HC10 | 118.2° | 120.0° |
| C12 | C10 | O11 | HC10 | 118.5° | 120.0° |
| C12 | C10 | C7 | C6 | 178.8° | 54.1° |
| C12 | C10 | C7 | C8 | 60.5° | 65.9° |
| C12 | C10 | C7 | C9 | 58.6° | 174.2° |
| C12 | C10 | O11 | HO11 | 180.0° | 60.0° |
| O13 | C12 | C10 | C7 | 69.5° | 109.2° |
| O13 | C12 | C10 | O11 | 168.6° | 10.8° |
| O13 | C12 | C10 | HC10 | 47.4° | 130.8° |
| C7 | C10 | O11 | HC10 | 117.1° | 120.0° |
| C10 | C7 | C6 | C8 | 121.4° | 120.0° |
| C10 | C7 | C6 | C9 | 122.5° | 120.1° |
| C10 | C7 | C8 | C9 | 121.5° | 120.0° |
| C10 | C7 | C6 | O5 | 57.2° | 180.0° |
| C10 | C7 | C6 | HC61 | 177.6° | 59.9° |
| C10 | C7 | C6 | HC62 | 68.0° | 60.0° |
| C10 | C7 | C8 | HC81 | 180.0° | 66.9° |
| C10 | C7 | C8 | HC82 | 54.7° | 173.0° |
| C10 | C7 | C8 | HC83 | 54.7° | 53.0° |
| C10 | C7 | C9 | HC91 | 180.0° | 56.2° |
| C10 | C7 | C9 | HC92 | 54.7° | 63.8° |
| C10 | C7 | C9 | HC93 | 54.7° | 176.2° |
| C7 | C10 | O11 | HO11 | 55.6° | 60.0° |
| O11 | C10 | C7 | C6 | 58.1° | 66.0° |
| O11 | C10 | C7 | C8 | 178.8° | 174.1° |
| O11 | C10 | C7 | C9 | 62.1° | 54.1° |
| HC10 | C10 | C7 | C6 | 63.0° | 174.1° |
| HC10 | C10 | C7 | C8 | 57.7° | 54.1° |
| HC10 | C10 | C7 | C9 | 176.8° | 65.9° |
| HC10 | C10 | O11 | HO11 | 61.5° | 180.0° |
| C6 | C7 | C8 | C9 | 116.2° | 120.0° |
| C7 | C6 | O5 | HC61 | 125.2° | 120.0° |
| C7 | C6 | O5 | HC62 | 125.2° | 119.9° |
| C7 | C6 | HC61 | HC62 | 116.8° | 119.9° |
| C7 | C6 | O5 | HO5 | 180.0° | 179.9° |
| C6 | C7 | C8 | HC81 | 57.6° | 53.1° |
| C6 | C7 | C8 | HC82 | 67.6° | 67.0° |
| C6 | C7 | C8 | HC83 | 177.0° | 173.0° |
| C6 | C7 | C9 | HC91 | 57.5° | 63.9° |
| C6 | C7 | C9 | HC92 | 177.2° | 176.2° |
| C6 | C7 | C9 | HC93 | 67.8° | 56.1° |
| C8 | C7 | C6 | O5 | 64.2° | 60.0° |
| C8 | C7 | C6 | HC61 | 61.0° | 60.1° |
| C8 | C7 | C6 | HC62 | 170.6° | 180.0° |
| C7 | C8 | HC81 | HC82 | 125.3° | 120.1° |
| C7 | C8 | HC81 | HC83 | 125.3° | 119.9° |
| C7 | C8 | HC82 | HC83 | 117.9° | 120.0° |
| C8 | C7 | C9 | HC91 | 59.4° | 176.2° |
| C8 | C7 | C9 | HC92 | 65.8° | 56.2° |
| C8 | C7 | C9 | HC93 | 175.3° | 63.8° |
| C9 | C7 | C6 | O5 | 179.7° | 60.0° |
| C9 | C7 | C6 | HC61 | 55.1° | 180.0° |
| C9 | C7 | C6 | HC62 | 54.5° | 60.0° |
| C9 | C7 | C8 | HC81 | 58.5° | 173.1° |
| C9 | C7 | C8 | HC82 | 176.2° | 53.0° |
| C9 | C7 | C8 | HC83 | 66.8° | 67.0° |
| C7 | C9 | HC91 | HC92 | 125.2° | 120.0° |
| C7 | C9 | HC91 | HC93 | 125.2° | 120.0° |
| C7 | C9 | HC92 | HC93 | 117.3° | 120.1° |
| O5 | C6 | HC61 | HC62 | 116.7° | 120.0° |
| HC61 | C6 | O5 | HO5 | 54.7° | 60.0° |
| HC62 | C6 | O5 | HO5 | 54.8° | 60.0° |
| HC81 | C8 | HC82 | HC83 | 117.9° | 120.0° |
| HC91 | C9 | HC92 | HC93 | 117.5° | 120.0° |
| HC24 | C24 | S25 | HS25 | 0.0° | 0.0° |
