OP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | O24 | sing | 1.43Å | 1.46Å | |
| C22 | N21 | sing | 1.47Å | 1.46Å | |
| O24 | N15 | sing | 1.42Å | 1.40Å | |
| N15 | C3 | sing | 1.35Å | 1.35Å | |
| C3 | O9 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | N14 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O8 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | N14 | sing | 1.35Å | 1.36Å | |
| N14 | C7 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| O12 | S17 | doub | 1.42Å | 1.42Å | |
| C6 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | O10 | sing | 1.46Å | 1.40Å | |
| O11 | S17 | doub | 1.42Å | 1.43Å | |
| S17 | O10 | sing | 1.52Å | 1.55Å | |
| S17 | O13 | sing | 1.52Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N15 | H3 | sing | 0.97Å | 1.00Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| N16 | H11 | sing | 1.01Å | 1.00Å | |
| N21 | H12 | sing | 1.01Å | 1.00Å | |
| N21 | H13 | sing | 1.01Å | 1.00Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| O13 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | O24 | 109.0° | 109.5° |
| C23 | C22 | N21 | 112.6° | 109.4° |
| C23 | C22 | H15 | 108.7° | 109.5° |
| C23 | C22 | H16 | 108.7° | 109.5° |
| C22 | C23 | H17 | 109.6° | 109.4° |
| C22 | C23 | H18 | 109.6° | 109.5° |
| C23 | O24 | N15 | 114.4° | 114.0° |
| O24 | C23 | H17 | 109.6° | 109.5° |
| O24 | C23 | H18 | 109.6° | 109.5° |
| C22 | N21 | H12 | 109.5° | 111.0° |
| C22 | N21 | H13 | 109.5° | 111.0° |
| N21 | C22 | H15 | 108.7° | 109.5° |
| N21 | C22 | H16 | 108.7° | 109.5° |
| O24 | N15 | C3 | 120.6° | 120.0° |
| O24 | N15 | H3 | 119.7° | 120.0° |
| N15 | C3 | O9 | 123.5° | 120.0° |
| N15 | C3 | C2 | 114.8° | 120.0° |
| C3 | N15 | H3 | 119.7° | 120.0° |
| O9 | C3 | C2 | 121.7° | 120.0° |
| C3 | C2 | C4 | 113.5° | 109.6° |
| C3 | C2 | N14 | 107.5° | 109.6° |
| C3 | C2 | H2 | 106.5° | 109.6° |
| C4 | C2 | N14 | 115.8° | 108.8° |
| C2 | C4 | C5 | 116.2° | 109.3° |
| C4 | C2 | H2 | 106.2° | 109.6° |
| C2 | C4 | H9 | 107.8° | 109.5° |
| C2 | C4 | H10 | 107.8° | 109.5° |
| C2 | N14 | C1 | 117.2° | 120.6° |
| C2 | N14 | C7 | 119.7° | 118.7° |
| N14 | C2 | H2 | 106.8° | 109.6° |
| C4 | C5 | C6 | 112.5° | 109.7° |
| C4 | C5 | H7 | 108.7° | 109.2° |
| C4 | C5 | H8 | 108.7° | 109.6° |
| C5 | C4 | H9 | 107.7° | 109.5° |
| C5 | C4 | H10 | 107.7° | 109.6° |
| O8 | C1 | N14 | 121.8° | 120.0° |
| O8 | C1 | H1 | 119.1° | 120.0° |
| C1 | N14 | C7 | 122.6° | 120.7° |
| N14 | C1 | H1 | 119.1° | 120.1° |
| N14 | C7 | C6 | 115.7° | 108.8° |
| N14 | C7 | H4 | 107.9° | 109.6° |
| N14 | C7 | H5 | 107.9° | 109.6° |
| C5 | C6 | C7 | 108.8° | 109.3° |
| C5 | C6 | N16 | 110.7° | 109.5° |
| C5 | C6 | H6 | 107.4° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.4° |
| C6 | C5 | H8 | 108.7° | 109.4° |
| C7 | C6 | N16 | 113.7° | 109.5° |
| C6 | C7 | H4 | 107.9° | 109.6° |
| C6 | C7 | H5 | 107.9° | 109.6° |
| C7 | C6 | H6 | 107.4° | 109.5° |
| O12 | S17 | O11 | 115.5° | 123.2° |
| O12 | S17 | O10 | 105.5° | 106.4° |
| O12 | S17 | O13 | 113.9° | 106.4° |
| C6 | N16 | O10 | 111.7° | 111.0° |
| N16 | C6 | H6 | 108.5° | 109.5° |
| C6 | N16 | H11 | 108.9° | 111.0° |
| N16 | O10 | S17 | 121.1° | 114.0° |
| O10 | N16 | H11 | 108.9° | 111.0° |
| O11 | S17 | O10 | 102.7° | 106.4° |
| O11 | S17 | O13 | 114.8° | 106.4° |
| O10 | S17 | O13 | 102.4° | 107.2° |
| S17 | O13 | H19 | 109.5° | 114.0° |
| H4 | C7 | H5 | 109.5° | 109.7° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H12 | N21 | H13 | 109.5° | 111.0° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | O24 | H17 | 119.9° | 119.9° |
| C22 | C23 | O24 | H18 | 120.0° | 120.0° |
| C23 | C22 | N21 | H15 | 120.5° | 120.0° |
| C23 | C22 | N21 | H16 | 120.5° | 120.0° |
| C22 | C23 | O24 | N15 | 83.2° | 180.0° |
| C23 | C22 | N21 | H12 | 180.0° | 180.0° |
| C23 | C22 | N21 | H13 | 60.0° | 56.0° |
| C23 | C22 | H15 | H16 | 118.6° | 120.0° |
| C22 | C23 | H17 | H18 | 120.2° | 119.9° |
| O24 | C23 | C22 | N21 | 52.0° | 65.0° |
| C23 | O24 | N15 | C3 | 101.0° | 180.0° |
| C23 | O24 | N15 | H3 | 79.0° | 0.1° |
| O24 | C23 | C22 | H15 | 172.4° | 54.9° |
| O24 | C23 | C22 | H16 | 68.5° | 175.0° |
| O24 | C23 | H17 | H18 | 120.2° | 120.1° |
| C22 | N21 | H12 | H13 | 120.0° | 124.0° |
| N21 | C22 | H15 | H16 | 118.5° | 120.0° |
| N21 | C22 | C23 | H17 | 171.9° | 175.0° |
| N21 | C22 | C23 | H18 | 68.0° | 55.1° |
| O24 | N15 | C3 | H3 | 180.0° | 179.9° |
| O24 | N15 | C3 | O9 | 0.3° | 0.1° |
| O24 | N15 | C3 | C2 | 179.6° | 180.0° |
| N15 | O24 | C23 | H17 | 36.8° | 60.1° |
| N15 | O24 | C23 | H18 | 156.9° | 60.0° |
| N15 | C3 | O9 | C2 | 179.3° | 179.9° |
| N15 | C3 | C2 | C4 | 115.8° | 105.9° |
| N15 | C3 | C2 | N14 | 114.9° | 134.8° |
| N15 | C3 | C2 | H2 | 0.8° | 14.5° |
| O9 | C3 | C2 | C4 | 64.9° | 74.1° |
| O9 | C3 | C2 | N14 | 64.4° | 45.2° |
| O9 | C3 | C2 | H2 | 178.6° | 165.5° |
| O9 | C3 | N15 | H3 | 179.7° | 180.0° |
| C3 | C2 | C4 | N14 | 125.0° | 119.8° |
| C3 | C2 | C4 | H2 | 116.7° | 120.4° |
| C3 | C2 | N14 | H2 | 114.0° | 120.3° |
| C3 | C2 | C4 | C5 | 95.1° | 174.3° |
| C3 | C2 | N14 | C1 | 85.9° | 6.6° |
| C3 | C2 | N14 | C7 | 101.8° | 173.7° |
| C2 | C3 | N15 | H3 | 0.4° | 0.1° |
| C3 | C2 | C4 | H9 | 25.9° | 54.5° |
| C3 | C2 | C4 | H10 | 143.9° | 65.6° |
| C4 | C2 | N14 | H2 | 118.0° | 119.9° |
| C2 | C4 | C5 | H9 | 121.0° | 119.9° |
| C2 | C4 | C5 | H10 | 121.0° | 120.0° |
| C4 | C2 | N14 | C1 | 146.0° | 126.4° |
| C4 | C2 | N14 | C7 | 26.3° | 53.9° |
| C2 | C4 | C5 | C6 | 46.0° | 61.1° |
| C2 | C4 | C5 | H7 | 74.5° | 58.8° |
| C2 | C4 | C5 | H8 | 166.5° | 178.8° |
| C2 | C4 | H9 | H10 | 117.0° | 120.0° |
| N14 | C2 | C4 | C5 | 29.9° | 54.5° |
| C2 | N14 | C1 | O8 | 23.8° | 174.8° |
| C2 | N14 | C1 | C7 | 172.1° | 179.7° |
| C2 | N14 | C7 | C6 | 38.6° | 53.9° |
| C2 | N14 | C1 | H1 | 156.2° | 4.9° |
| C2 | N14 | C7 | H4 | 159.4° | 65.9° |
| C2 | N14 | C7 | H5 | 82.4° | 173.7° |
| N14 | C2 | C4 | H9 | 150.9° | 65.3° |
| N14 | C2 | C4 | H10 | 91.1° | 174.6° |
| C4 | C5 | C6 | H7 | 120.5° | 119.8° |
| C4 | C5 | C6 | H8 | 120.5° | 120.3° |
| C4 | C5 | C6 | C7 | 55.0° | 61.1° |
| C4 | C5 | C6 | N16 | 70.7° | 178.9° |
| C5 | C4 | C2 | H2 | 148.2° | 65.3° |
| C4 | C5 | C6 | H6 | 171.0° | 58.8° |
| C4 | C5 | H7 | H8 | 118.6° | 120.0° |
| C5 | C4 | H9 | H10 | 116.9° | 120.2° |
| O8 | C1 | N14 | H1 | 180.0° | 179.7° |
| O8 | C1 | N14 | C7 | 148.3° | 5.4° |
| C1 | N14 | C7 | C6 | 133.3° | 126.4° |
| C1 | N14 | C2 | H2 | 28.0° | 113.8° |
| C1 | N14 | C7 | H4 | 12.4° | 113.8° |
| C1 | N14 | C7 | H5 | 105.8° | 6.6° |
| N14 | C7 | C6 | C5 | 51.8° | 54.6° |
| N14 | C7 | C6 | H4 | 120.9° | 119.8° |
| N14 | C7 | C6 | H5 | 120.9° | 119.8° |
| N14 | C7 | C6 | N16 | 72.1° | 174.6° |
| C7 | N14 | C1 | H1 | 31.7° | 174.9° |
| C7 | N14 | C2 | H2 | 144.3° | 66.0° |
| N14 | C7 | H4 | H5 | 117.2° | 120.4° |
| N14 | C7 | C6 | H6 | 167.8° | 65.3° |
| C5 | C6 | C7 | N16 | 123.9° | 120.0° |
| C5 | C6 | C7 | H6 | 116.0° | 120.0° |
| C5 | C6 | N16 | H6 | 117.7° | 120.1° |
| C5 | C6 | N16 | O10 | 174.4° | 150.2° |
| C5 | C6 | C7 | H4 | 172.7° | 65.2° |
| C5 | C6 | C7 | H5 | 69.1° | 174.4° |
| C6 | C5 | H7 | H8 | 118.6° | 119.9° |
| C6 | C5 | C4 | H9 | 167.0° | 58.8° |
| C6 | C5 | C4 | H10 | 75.0° | 178.9° |
| C5 | C6 | N16 | H11 | 65.2° | 26.2° |
| C7 | C6 | N16 | H6 | 119.4° | 120.1° |
| C7 | C6 | N16 | O10 | 51.6° | 90.0° |
| C6 | C7 | H4 | H5 | 117.2° | 120.3° |
| C7 | C6 | C5 | H7 | 65.5° | 58.7° |
| C7 | C6 | C5 | H8 | 175.5° | 178.6° |
| C7 | C6 | N16 | H11 | 171.9° | 146.0° |
| O12 | S17 | O10 | N16 | 55.2° | 171.5° |
| O12 | S17 | O11 | O10 | 114.2° | 123.0° |
| O12 | S17 | O11 | O13 | 135.6° | 122.9° |
| O12 | S17 | O10 | O13 | 119.4° | 113.5° |
| O12 | S17 | O13 | H19 | 0.0° | 66.5° |
| C6 | N16 | O10 | H11 | 120.3° | 124.0° |
| C6 | N16 | O10 | S17 | 135.5° | 180.0° |
| N16 | C6 | C7 | H4 | 48.8° | 54.8° |
| N16 | C6 | C7 | H5 | 167.0° | 65.6° |
| N16 | C6 | C5 | H7 | 168.9° | 61.3° |
| N16 | C6 | C5 | H8 | 49.8° | 58.6° |
| N16 | O10 | S17 | O11 | 66.1° | 38.5° |
| N16 | O10 | S17 | O13 | 174.6° | 75.0° |
| O10 | N16 | C6 | H6 | 67.9° | 30.1° |
| O11 | S17 | O10 | O13 | 119.3° | 113.5° |
| O11 | S17 | O13 | H19 | 136.3° | 66.4° |
| S17 | O10 | N16 | H11 | 104.2° | 56.0° |
| O10 | S17 | O13 | H19 | 113.3° | 180.0° |
| H2 | C2 | C4 | H9 | 90.8° | 174.8° |
| H2 | C2 | C4 | H10 | 27.2° | 54.8° |
| H4 | C7 | C6 | H6 | 71.3° | 174.8° |
| H5 | C7 | C6 | H6 | 47.0° | 54.4° |
| H6 | C6 | C5 | H7 | 50.6° | 178.6° |
| H6 | C6 | C5 | H8 | 68.5° | 61.5° |
| H6 | C6 | N16 | H11 | 52.5° | 94.0° |
| H7 | C5 | C4 | H9 | 46.5° | 178.7° |
| H7 | C5 | C4 | H10 | 164.6° | 61.1° |
| H8 | C5 | C4 | H9 | 72.5° | 61.4° |
| H8 | C5 | C4 | H10 | 45.5° | 58.8° |
| H12 | N21 | C22 | H15 | 59.5° | 60.1° |
| H12 | N21 | C22 | H16 | 59.5° | 60.0° |
| H13 | N21 | C22 | H15 | 179.5° | 63.9° |
| H13 | N21 | C22 | H16 | 60.5° | 176.0° |
| H15 | C22 | C23 | H17 | 67.7° | 65.0° |
| H15 | C22 | C23 | H18 | 52.5° | 175.0° |
| H16 | C22 | C23 | H17 | 51.4° | 55.0° |
| H16 | C22 | C23 | H18 | 171.6° | 64.9° |
