REK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | doub | 1.21Å | 1.26Å | |
| O01 | P02 | doub | 1.48Å | 1.51Å | |
| C05 | O07 | sing | 1.34Å | 1.26Å | |
| C05 | C04 | sing | 1.51Å | 1.57Å | |
| C04 | N03 | sing | 1.47Å | 1.49Å | |
| C04 | C08 | sing | 1.53Å | 1.56Å | |
| P02 | O27 | sing | 1.61Å | 1.50Å | |
| P02 | C12 | sing | 1.82Å | 1.95Å | |
| P02 | N03 | sing | 1.68Å | 1.68Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C08 | C09 | sing | 1.51Å | 1.55Å | |
| O10 | C09 | doub | 1.21Å | 1.26Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C16 | C14 | sing | 1.53Å | 1.59Å | |
| C16 | N17 | sing | 1.46Å | 1.51Å | |
| C09 | O11 | sing | 1.34Å | 1.26Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| N17 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| N17 | C26 | sing | 1.36Å | 1.42Å | Aromatic |
| N19 | C18 | doub | 1.33Å | 1.38Å | Aromatic |
| N19 | C20 | sing | 1.32Å | 1.35Å | Aromatic |
| C18 | C24 | sing | 1.41Å | 1.44Å | Aromatic |
| C20 | N21 | doub | 1.32Å | 1.39Å | Aromatic |
| C26 | N25 | doub | 1.30Å | 1.36Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.41Å | Aromatic |
| C24 | C22 | doub | 1.40Å | 1.43Å | Aromatic |
| N21 | C22 | sing | 1.33Å | 1.37Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.39Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| N03 | H14 | sing | 1.01Å | 1.00Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| N23 | H16 | sing | 0.97Å | 1.00Å | |
| O07 | H17 | sing | 0.97Å | 0.95Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å | |
| O27 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | O07 | 122.4° | 120.0° |
| O06 | C05 | C04 | 117.8° | 120.1° |
| O01 | P02 | O27 | 117.7° | 109.5° |
| O01 | P02 | C12 | 105.1° | 109.5° |
| O01 | P02 | N03 | 113.4° | 109.5° |
| O07 | C05 | C04 | 119.8° | 120.0° |
| C05 | O07 | H17 | 109.5° | 117.0° |
| C05 | C04 | N03 | 113.1° | 109.4° |
| C05 | C04 | C08 | 107.0° | 109.5° |
| C05 | C04 | H1 | 107.0° | 109.5° |
| N03 | C04 | C08 | 114.0° | 109.5° |
| C04 | N03 | P02 | 126.6° | 111.0° |
| N03 | C04 | H1 | 108.0° | 109.4° |
| C04 | N03 | H14 | 105.1° | 111.0° |
| C04 | C08 | C09 | 117.3° | 109.5° |
| C08 | C04 | H1 | 107.2° | 109.5° |
| C04 | C08 | H2 | 107.5° | 109.5° |
| C04 | C08 | H3 | 107.5° | 109.5° |
| O27 | P02 | C12 | 101.3° | 109.5° |
| O27 | P02 | N03 | 111.8° | 109.5° |
| P02 | O27 | H19 | 109.5° | 114.1° |
| C12 | P02 | N03 | 105.9° | 109.5° |
| P02 | C12 | O13 | 110.8° | 109.5° |
| P02 | C12 | H4 | 109.1° | 109.5° |
| P02 | C12 | H5 | 109.1° | 109.5° |
| P02 | N03 | H14 | 105.0° | 111.0° |
| C12 | O13 | C14 | 118.1° | 114.0° |
| O13 | C12 | H4 | 109.1° | 109.4° |
| O13 | C12 | H5 | 109.2° | 109.4° |
| C08 | C09 | O10 | 119.0° | 120.0° |
| C08 | C09 | O11 | 119.2° | 120.0° |
| C09 | C08 | H2 | 107.5° | 109.4° |
| C09 | C08 | H3 | 107.5° | 109.4° |
| O10 | C09 | O11 | 121.8° | 120.1° |
| C15 | C14 | C16 | 108.9° | 109.5° |
| C15 | C14 | O13 | 111.2° | 109.5° |
| C15 | C14 | H6 | 108.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C14 | C15 | H9 | 109.4° | 109.5° |
| C14 | C16 | N17 | 115.8° | 109.5° |
| C16 | C14 | O13 | 109.8° | 109.4° |
| C16 | C14 | H6 | 108.1° | 109.5° |
| C14 | C16 | H10 | 107.9° | 109.5° |
| C14 | C16 | H11 | 107.9° | 109.4° |
| C16 | N17 | C18 | 129.0° | 126.3° |
| C16 | N17 | C26 | 126.7° | 126.3° |
| N17 | C16 | H10 | 107.8° | 109.5° |
| N17 | C16 | H11 | 107.8° | 109.4° |
| C09 | O11 | H18 | 109.5° | 117.0° |
| O13 | C14 | H6 | 110.3° | 109.5° |
| C18 | N17 | C26 | 104.3° | 107.4° |
| N17 | C18 | N19 | 128.6° | 134.9° |
| N17 | C18 | C24 | 107.7° | 106.0° |
| N17 | C26 | N25 | 114.1° | 110.0° |
| N17 | C26 | H13 | 123.0° | 125.0° |
| C18 | N19 | C20 | 112.9° | 120.7° |
| N19 | C18 | C24 | 123.7° | 119.1° |
| N19 | C20 | N21 | 129.3° | 122.5° |
| N19 | C20 | H12 | 115.4° | 118.8° |
| C18 | C24 | N25 | 109.0° | 107.1° |
| C18 | C24 | C22 | 117.4° | 118.1° |
| C20 | N21 | C22 | 117.2° | 121.2° |
| N21 | C20 | H12 | 115.4° | 118.8° |
| C26 | N25 | C24 | 105.0° | 109.5° |
| N25 | C26 | H13 | 122.9° | 125.0° |
| N25 | C24 | C22 | 133.6° | 134.7° |
| C24 | C22 | N21 | 119.4° | 118.5° |
| C24 | C22 | N23 | 123.8° | 120.8° |
| N21 | C22 | N23 | 116.7° | 120.8° |
| C22 | N23 | H15 | 109.5° | 119.9° |
| C22 | N23 | H16 | 109.4° | 120.0° |
| H2 | C08 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H15 | N23 | H16 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | O07 | C04 | 179.8° | 180.0° |
| O06 | C05 | C04 | N03 | 170.1° | 0.0° |
| O06 | C05 | C04 | C08 | 63.4° | 120.0° |
| O06 | C05 | C04 | H1 | 51.3° | 119.9° |
| O06 | C05 | O07 | H17 | 0.0° | 0.1° |
| O01 | P02 | N03 | C04 | 1.9° | 60.0° |
| O01 | P02 | O27 | C12 | 113.9° | 120.0° |
| O01 | P02 | O27 | N03 | 133.8° | 120.0° |
| O01 | P02 | C12 | N03 | 120.2° | 120.0° |
| O01 | P02 | C12 | O13 | 133.5° | 65.4° |
| O01 | P02 | C12 | H4 | 13.3° | 54.6° |
| O01 | P02 | C12 | H5 | 106.3° | 174.6° |
| O01 | P02 | N03 | H14 | 124.1° | 176.1° |
| O01 | P02 | O27 | H19 | 0.0° | 180.0° |
| O07 | C05 | C04 | N03 | 10.1° | 180.0° |
| O07 | C05 | C04 | C08 | 116.3° | 60.0° |
| O07 | C05 | C04 | H1 | 129.0° | 60.0° |
| C05 | C04 | N03 | C08 | 122.6° | 120.0° |
| C05 | C04 | N03 | H1 | 118.3° | 120.0° |
| C05 | C04 | C08 | H1 | 114.5° | 120.1° |
| C05 | C04 | N03 | P02 | 54.2° | 95.0° |
| C05 | C04 | C08 | C09 | 153.7° | 175.0° |
| C05 | C04 | C08 | H2 | 32.5° | 55.1° |
| C05 | C04 | C08 | H3 | 85.2° | 65.0° |
| C05 | C04 | N03 | H14 | 176.5° | 141.1° |
| C04 | C05 | O07 | H17 | 179.8° | 180.0° |
| N03 | C04 | C08 | H1 | 119.6° | 120.0° |
| C04 | N03 | P02 | O27 | 134.0° | 60.0° |
| C04 | N03 | P02 | C12 | 116.5° | 180.0° |
| C04 | N03 | P02 | H14 | 122.3° | 123.9° |
| N03 | C04 | C08 | C09 | 80.5° | 65.0° |
| N03 | C04 | C08 | H2 | 158.4° | 175.0° |
| N03 | C04 | C08 | H3 | 40.7° | 55.0° |
| C08 | C04 | N03 | P02 | 176.8° | 145.0° |
| C04 | C08 | C09 | H2 | 121.1° | 120.0° |
| C04 | C08 | C09 | H3 | 121.1° | 120.0° |
| C04 | C08 | C09 | O10 | 126.2° | 0.1° |
| C04 | C08 | C09 | O11 | 53.9° | 180.0° |
| C04 | C08 | H2 | H3 | 116.5° | 120.1° |
| C08 | C04 | N03 | H14 | 61.0° | 21.1° |
| O27 | P02 | C12 | N03 | 116.8° | 120.0° |
| O27 | P02 | C12 | O13 | 103.5° | 54.6° |
| O27 | P02 | C12 | H4 | 136.3° | 174.6° |
| O27 | P02 | C12 | H5 | 16.8° | 65.4° |
| O27 | P02 | N03 | H14 | 11.7° | 63.9° |
| P02 | C12 | O13 | H4 | 120.2° | 120.0° |
| P02 | C12 | O13 | H5 | 120.2° | 120.1° |
| P02 | C12 | O13 | C14 | 164.0° | 76.7° |
| P02 | C12 | H4 | H5 | 119.3° | 120.0° |
| C12 | P02 | N03 | H14 | 121.2° | 56.0° |
| C12 | P02 | O27 | H19 | 113.9° | 60.0° |
| N03 | P02 | C12 | O13 | 13.3° | 174.6° |
| P02 | N03 | C04 | H1 | 64.1° | 25.0° |
| N03 | P02 | C12 | H4 | 106.9° | 65.4° |
| N03 | P02 | C12 | H5 | 133.5° | 54.6° |
| N03 | P02 | O27 | H19 | 133.7° | 60.0° |
| C12 | O13 | C14 | C15 | 15.8° | 84.0° |
| C12 | O13 | C14 | C16 | 104.7° | 156.1° |
| O13 | C12 | H4 | H5 | 119.4° | 119.9° |
| C12 | O13 | C14 | H6 | 136.3° | 36.0° |
| C08 | C09 | O10 | O11 | 179.9° | 180.0° |
| C09 | C08 | C04 | H1 | 39.1° | 55.0° |
| C09 | C08 | H2 | H3 | 116.5° | 119.9° |
| C08 | C09 | O11 | H18 | 179.8° | 180.0° |
| O10 | C09 | C08 | H2 | 5.1° | 120.1° |
| O10 | C09 | C08 | H3 | 112.6° | 120.0° |
| O10 | C09 | O11 | H18 | 0.0° | 0.0° |
| C15 | C14 | C16 | O13 | 121.9° | 120.0° |
| C15 | C14 | C16 | H6 | 117.7° | 120.0° |
| C15 | C14 | C16 | N17 | 179.9° | 175.0° |
| C15 | C14 | O13 | H6 | 120.4° | 120.0° |
| C14 | C15 | H7 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H9 | 120.0° | 120.0° |
| C14 | C15 | H8 | H9 | 120.0° | 120.0° |
| C15 | C14 | C16 | H10 | 59.2° | 65.0° |
| C15 | C14 | C16 | H11 | 59.0° | 55.1° |
| C14 | C16 | N17 | H10 | 120.9° | 120.0° |
| C14 | C16 | N17 | H11 | 120.9° | 119.9° |
| C16 | C14 | O13 | H6 | 119.0° | 120.0° |
| C14 | C16 | N17 | C18 | 150.8° | 85.0° |
| C14 | C16 | N17 | C26 | 29.7° | 95.0° |
| C16 | C14 | C15 | H7 | 180.0° | 175.0° |
| C16 | C14 | C15 | H8 | 60.0° | 55.0° |
| C16 | C14 | C15 | H9 | 60.0° | 64.9° |
| C14 | C16 | H10 | H11 | 117.1° | 120.0° |
| N17 | C16 | C14 | O13 | 58.2° | 65.0° |
| C16 | N17 | C18 | C26 | 179.6° | 180.0° |
| C16 | N17 | C18 | N19 | 0.4° | 0.3° |
| C16 | N17 | C18 | C24 | 179.7° | 179.9° |
| C16 | N17 | C26 | N25 | 179.7° | 180.0° |
| N17 | C16 | C14 | H6 | 62.2° | 55.0° |
| N17 | C16 | H10 | H11 | 117.1° | 120.0° |
| C16 | N17 | C26 | H13 | 0.2° | 0.0° |
| O11 | C09 | C08 | H2 | 175.0° | 60.0° |
| O11 | C09 | C08 | H3 | 67.2° | 60.0° |
| C14 | O13 | C12 | H4 | 43.8° | 43.3° |
| C14 | O13 | C12 | H5 | 75.8° | 163.3° |
| O13 | C14 | C15 | H7 | 58.9° | 65.0° |
| O13 | C14 | C15 | H8 | 178.9° | 175.0° |
| O13 | C14 | C15 | H9 | 61.1° | 55.0° |
| O13 | C14 | C16 | H10 | 62.7° | 55.0° |
| O13 | C14 | C16 | H11 | 179.1° | 175.0° |
| N17 | C18 | N19 | C24 | 179.9° | 179.6° |
| N17 | C18 | N19 | C20 | 179.9° | 179.7° |
| C18 | N17 | C26 | N25 | 0.1° | 0.0° |
| N17 | C18 | C24 | N25 | 0.0° | 0.0° |
| N17 | C18 | C24 | C22 | 179.9° | 180.0° |
| C18 | N17 | C16 | H10 | 88.3° | 35.0° |
| C18 | N17 | C16 | H11 | 29.8° | 155.1° |
| C18 | N17 | C26 | H13 | 179.8° | 180.0° |
| C26 | N17 | C18 | N19 | 180.0° | 179.7° |
| C26 | N17 | C18 | C24 | 0.1° | 0.0° |
| N17 | C26 | N25 | H13 | 180.0° | 179.9° |
| N17 | C26 | N25 | C24 | 0.1° | 0.0° |
| C26 | N17 | C16 | H10 | 91.2° | 145.0° |
| C26 | N17 | C16 | H11 | 150.6° | 24.9° |
| C18 | N19 | C20 | N21 | 0.1° | 0.0° |
| N19 | C18 | C24 | N25 | 180.0° | 179.8° |
| N19 | C18 | C24 | C22 | 0.0° | 0.3° |
| C18 | N19 | C20 | H12 | 180.0° | 179.8° |
| C20 | N19 | C18 | C24 | 0.0° | 0.1° |
| N19 | C20 | N21 | H12 | 180.0° | 179.8° |
| N19 | C20 | N21 | C22 | 0.1° | 0.3° |
| C18 | C24 | N25 | C26 | 0.0° | 0.0° |
| C18 | C24 | N25 | C22 | 179.9° | 179.9° |
| C18 | C24 | C22 | N21 | 0.0° | 0.6° |
| C18 | C24 | C22 | N23 | 180.0° | 180.0° |
| C20 | N21 | C22 | C24 | 0.0° | 0.5° |
| C20 | N21 | C22 | N23 | 179.9° | 179.9° |
| C26 | N25 | C24 | C22 | 180.0° | 179.9° |
| N25 | C24 | C22 | N21 | 179.9° | 179.5° |
| N25 | C24 | C22 | N23 | 0.0° | 0.1° |
| C24 | N25 | C26 | H13 | 179.9° | 179.9° |
| C24 | C22 | N21 | N23 | 180.0° | 179.4° |
| C24 | C22 | N23 | H15 | 179.9° | 0.1° |
| C24 | C22 | N23 | H16 | 60.0° | 180.0° |
| C22 | N21 | C20 | H12 | 180.0° | 179.9° |
| N21 | C22 | N23 | H15 | 0.0° | 179.5° |
| N21 | C22 | N23 | H16 | 120.0° | 0.6° |
| C22 | N23 | H15 | H16 | 119.9° | 179.9° |
| H1 | C04 | C08 | H2 | 82.0° | 65.0° |
| H1 | C04 | C08 | H3 | 160.2° | 174.9° |
| H1 | C04 | N03 | H14 | 58.2° | 98.9° |
| H6 | C14 | C15 | H7 | 62.6° | 55.0° |
| H6 | C14 | C15 | H8 | 57.5° | 65.0° |
| H6 | C14 | C15 | H9 | 177.5° | 175.0° |
| H6 | C14 | C16 | H10 | 176.9° | 175.0° |
| H6 | C14 | C16 | H11 | 58.8° | 65.0° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
