1IO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | P16 | doub | 1.48Å | 1.53Å | |
| P16 | C15 | sing | 1.82Å | 1.80Å | |
| P16 | O19 | sing | 1.61Å | 1.52Å | |
| P16 | O18 | sing | 1.61Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | O13 | sing | 1.43Å | 1.50Å | |
| C14 | C20 | sing | 1.51Å | 1.56Å | |
| O13 | C12 | sing | 1.43Å | 1.39Å | |
| C20 | O21 | doub | 1.21Å | 1.26Å | |
| C20 | O22 | sing | 1.34Å | 1.26Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C11 | N10 | sing | 1.47Å | 1.49Å | |
| N05 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| N05 | C06 | sing | 1.33Å | 1.38Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.38Å | Aromatic |
| N10 | C06 | sing | 1.37Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.36Å | 1.42Å | Aromatic |
| C06 | C07 | doub | 1.41Å | 1.44Å | Aromatic |
| N03 | C02 | doub | 1.33Å | 1.35Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.35Å | Aromatic |
| C07 | C02 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | N08 | sing | 1.36Å | 1.40Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.38Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| N01 | H10 | sing | 0.97Å | 1.00Å | |
| N01 | H11 | sing | 0.97Å | 1.00Å | |
| O18 | H12 | sing | 0.97Å | 0.95Å | |
| O19 | H13 | sing | 0.97Å | 0.95Å | |
| O22 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | P16 | C15 | 102.3° | 109.4° |
| O17 | P16 | O19 | 112.4° | 109.5° |
| O17 | P16 | O18 | 112.5° | 109.5° |
| C15 | P16 | O19 | 103.9° | 109.5° |
| C15 | P16 | O18 | 108.3° | 109.5° |
| P16 | C15 | C14 | 116.1° | 109.5° |
| P16 | C15 | H8 | 107.8° | 109.5° |
| P16 | C15 | H9 | 107.8° | 109.5° |
| O19 | P16 | O18 | 116.0° | 109.5° |
| P16 | O19 | H13 | 109.5° | 114.0° |
| P16 | O18 | H12 | 109.5° | 114.0° |
| C15 | C14 | O13 | 107.9° | 109.5° |
| C15 | C14 | C20 | 116.0° | 109.5° |
| C15 | C14 | H7 | 109.0° | 109.5° |
| C14 | C15 | H8 | 107.8° | 109.5° |
| C14 | C15 | H9 | 107.8° | 109.4° |
| O13 | C14 | C20 | 106.7° | 109.5° |
| C14 | O13 | C12 | 116.6° | 114.0° |
| O13 | C14 | H7 | 108.9° | 109.5° |
| C14 | C20 | O21 | 117.4° | 120.0° |
| C14 | C20 | O22 | 119.2° | 120.0° |
| C20 | C14 | H7 | 108.1° | 109.4° |
| O13 | C12 | C11 | 107.7° | 109.4° |
| O13 | C12 | H5 | 109.9° | 109.5° |
| O13 | C12 | H6 | 109.9° | 109.5° |
| O21 | C20 | O22 | 123.3° | 120.0° |
| C20 | O22 | H14 | 109.5° | 117.0° |
| C12 | C11 | N10 | 114.3° | 109.5° |
| C12 | C11 | H3 | 108.3° | 109.5° |
| C12 | C11 | H4 | 108.3° | 109.5° |
| C11 | C12 | H5 | 109.9° | 109.5° |
| C11 | C12 | H6 | 109.9° | 109.5° |
| C11 | N10 | C06 | 129.8° | 126.3° |
| C11 | N10 | C09 | 125.2° | 126.2° |
| N10 | C11 | H3 | 108.3° | 109.4° |
| N10 | C11 | H4 | 108.3° | 109.5° |
| C04 | N05 | C06 | 111.7° | 120.7° |
| N05 | C04 | N03 | 130.6° | 122.5° |
| N05 | C04 | H1 | 114.7° | 118.8° |
| N05 | C06 | N10 | 129.7° | 134.9° |
| N05 | C06 | C07 | 123.6° | 119.0° |
| C04 | N03 | C02 | 116.9° | 121.2° |
| N03 | C04 | H1 | 114.7° | 118.8° |
| C06 | N10 | C09 | 105.0° | 107.5° |
| N10 | C06 | C07 | 106.7° | 106.0° |
| N10 | C09 | N08 | 114.1° | 109.9° |
| N10 | C09 | H2 | 122.9° | 125.0° |
| C06 | C07 | C02 | 117.8° | 118.2° |
| C06 | C07 | N08 | 110.4° | 107.1° |
| N03 | C02 | C07 | 119.4° | 118.5° |
| N03 | C02 | N01 | 117.1° | 120.7° |
| C09 | N08 | C07 | 103.8° | 109.5° |
| N08 | C09 | H2 | 123.0° | 125.0° |
| C02 | C07 | N08 | 131.8° | 134.7° |
| C07 | C02 | N01 | 123.5° | 120.8° |
| C02 | N01 | H10 | 109.5° | 120.0° |
| C02 | N01 | H11 | 109.4° | 120.0° |
| H3 | C11 | H4 | 109.4° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H10 | N01 | H11 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | P16 | C15 | O19 | 117.1° | 120.0° |
| O17 | P16 | C15 | O18 | 119.0° | 120.0° |
| O17 | P16 | O19 | O18 | 131.4° | 120.0° |
| O17 | P16 | C15 | C14 | 179.0° | 55.0° |
| O17 | P16 | C15 | H8 | 58.1° | 65.0° |
| O17 | P16 | C15 | H9 | 60.0° | 175.0° |
| O17 | P16 | O18 | H12 | 0.0° | 60.1° |
| O17 | P16 | O19 | H13 | 0.0° | 180.0° |
| C15 | P16 | O19 | O18 | 118.7° | 120.0° |
| P16 | C15 | C14 | H8 | 120.9° | 120.1° |
| P16 | C15 | C14 | H9 | 120.9° | 120.0° |
| P16 | C15 | C14 | O13 | 104.1° | 65.0° |
| P16 | C15 | C14 | C20 | 136.3° | 175.0° |
| P16 | C15 | C14 | H7 | 14.1° | 55.1° |
| P16 | C15 | H8 | H9 | 117.0° | 120.0° |
| C15 | P16 | O18 | H12 | 112.4° | 180.0° |
| C15 | P16 | O19 | H13 | 109.9° | 60.1° |
| O19 | P16 | C15 | C14 | 61.9° | 64.9° |
| O19 | P16 | C15 | H8 | 59.1° | 175.0° |
| O19 | P16 | C15 | H9 | 177.2° | 55.0° |
| O19 | P16 | O18 | H12 | 131.4° | 60.0° |
| O18 | P16 | C15 | C14 | 61.9° | 175.0° |
| O18 | P16 | C15 | H8 | 177.1° | 54.9° |
| O18 | P16 | C15 | H9 | 59.0° | 65.0° |
| O18 | P16 | O19 | H13 | 131.4° | 59.9° |
| C15 | C14 | O13 | C20 | 125.3° | 120.1° |
| C15 | C14 | O13 | H7 | 118.3° | 120.0° |
| C15 | C14 | C20 | H7 | 122.8° | 120.0° |
| C15 | C14 | O13 | C12 | 153.5° | 150.0° |
| C15 | C14 | C20 | O21 | 108.3° | 115.0° |
| C15 | C14 | C20 | O22 | 71.3° | 65.0° |
| C14 | C15 | H8 | H9 | 117.0° | 119.9° |
| O13 | C14 | C20 | H7 | 117.0° | 120.0° |
| O13 | C14 | C20 | O21 | 12.0° | 5.0° |
| O13 | C14 | C20 | O22 | 168.4° | 175.0° |
| C14 | O13 | C12 | C11 | 114.8° | 180.0° |
| C14 | O13 | C12 | H5 | 125.5° | 60.0° |
| C14 | O13 | C12 | H6 | 5.0° | 60.0° |
| O13 | C14 | C15 | H8 | 16.8° | 175.0° |
| O13 | C14 | C15 | H9 | 135.0° | 55.0° |
| C20 | C14 | O13 | C12 | 81.2° | 90.0° |
| C14 | C20 | O21 | O22 | 179.6° | 180.0° |
| C20 | C14 | C15 | H8 | 102.7° | 54.9° |
| C20 | C14 | C15 | H9 | 15.4° | 65.0° |
| C14 | C20 | O22 | H14 | 179.6° | 180.0° |
| O13 | C12 | C11 | H5 | 119.7° | 120.0° |
| O13 | C12 | C11 | H6 | 119.7° | 119.9° |
| O13 | C12 | C11 | N10 | 85.8° | 180.0° |
| O13 | C12 | C11 | H3 | 34.9° | 60.1° |
| O13 | C12 | C11 | H4 | 153.5° | 60.0° |
| O13 | C12 | H5 | H6 | 120.8° | 120.0° |
| C12 | O13 | C14 | H7 | 35.2° | 29.9° |
| O21 | C20 | C14 | H7 | 129.0° | 125.0° |
| O21 | C20 | O22 | H14 | 0.0° | 0.0° |
| O22 | C20 | C14 | H7 | 51.4° | 55.0° |
| C12 | C11 | N10 | H3 | 120.7° | 119.9° |
| C12 | C11 | N10 | H4 | 120.7° | 120.1° |
| C12 | C11 | N10 | C06 | 172.8° | 85.0° |
| C12 | C11 | N10 | C09 | 7.2° | 95.1° |
| C12 | C11 | H3 | H4 | 117.8° | 120.1° |
| C11 | C12 | H5 | H6 | 120.8° | 120.0° |
| C11 | N10 | C06 | N05 | 0.1° | 0.0° |
| C11 | N10 | C06 | C09 | 180.0° | 180.0° |
| C11 | N10 | C06 | C07 | 179.9° | 180.0° |
| C11 | N10 | C09 | N08 | 179.9° | 180.0° |
| C11 | N10 | C09 | H2 | 0.1° | 0.1° |
| N10 | C11 | H3 | H4 | 117.8° | 120.0° |
| N10 | C11 | C12 | H5 | 154.5° | 60.0° |
| N10 | C11 | C12 | H6 | 33.9° | 60.1° |
| N05 | C04 | N03 | H1 | 180.0° | 179.9° |
| C04 | N05 | C06 | N10 | 179.9° | 179.7° |
| C04 | N05 | C06 | C07 | 0.1° | 0.3° |
| N05 | C04 | N03 | C02 | 0.1° | 0.1° |
| C06 | N05 | C04 | N03 | 0.1° | 0.4° |
| N05 | C06 | N10 | C07 | 179.8° | 180.0° |
| N05 | C06 | N10 | C09 | 179.9° | 180.0° |
| N05 | C06 | C07 | C02 | 0.1° | 0.0° |
| N05 | C06 | C07 | N08 | 179.9° | 180.0° |
| C06 | N05 | C04 | H1 | 179.9° | 179.7° |
| C04 | N03 | C02 | C07 | 0.2° | 0.3° |
| C04 | N03 | C02 | N01 | 179.9° | 180.0° |
| C06 | N10 | C09 | N08 | 0.1° | 0.0° |
| N10 | C06 | C07 | C02 | 180.0° | 180.0° |
| N10 | C06 | C07 | N08 | 0.1° | 0.0° |
| C06 | N10 | C09 | H2 | 179.9° | 179.9° |
| C06 | N10 | C11 | H3 | 52.1° | 35.0° |
| C06 | N10 | C11 | H4 | 66.5° | 155.0° |
| C09 | N10 | C06 | C07 | 0.1° | 0.0° |
| N10 | C09 | N08 | H2 | 180.0° | 179.9° |
| N10 | C09 | N08 | C07 | 0.0° | 0.0° |
| C09 | N10 | C11 | H3 | 127.9° | 145.0° |
| C09 | N10 | C11 | H4 | 113.5° | 25.0° |
| C06 | C07 | C02 | N03 | 0.2° | 0.3° |
| C06 | C07 | N08 | C09 | 0.0° | 0.0° |
| C06 | C07 | C02 | N08 | 180.0° | 179.9° |
| C06 | C07 | C02 | N01 | 179.9° | 180.0° |
| N03 | C02 | C07 | N01 | 179.9° | 179.7° |
| N03 | C02 | C07 | N08 | 179.9° | 179.7° |
| C02 | N03 | C04 | H1 | 179.8° | 180.0° |
| N03 | C02 | N01 | H10 | 0.0° | 179.7° |
| N03 | C02 | N01 | H11 | 120.0° | 0.3° |
| C09 | N08 | C07 | C02 | 180.0° | 180.0° |
| C07 | C02 | N01 | H10 | 179.9° | 0.0° |
| C07 | C02 | N01 | H11 | 59.9° | 180.0° |
| N08 | C07 | C02 | N01 | 0.1° | 0.0° |
| C07 | N08 | C09 | H2 | 180.0° | 179.9° |
| C02 | N01 | H10 | H11 | 120.0° | 180.0° |
| H3 | C11 | C12 | H5 | 84.8° | 59.9° |
| H3 | C11 | C12 | H6 | 154.6° | 180.0° |
| H4 | C11 | C12 | H5 | 33.7° | 180.0° |
| H4 | C11 | C12 | H6 | 86.8° | 60.0° |
| H7 | C14 | C15 | H8 | 135.0° | 65.0° |
| H7 | C14 | C15 | H9 | 106.8° | 175.0° |
