F9E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| O06 | C05 | doub | 1.21Å | 1.19Å | |
| C04 | C05 | sing | 1.51Å | 1.56Å | |
| C04 | C02 | sing | 1.53Å | 1.56Å | |
| C04 | N25 | sing | 1.47Å | 1.47Å | |
| C05 | O07 | sing | 1.34Å | 1.42Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| O07 | C08 | sing | 1.45Å | 1.42Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | O12 | sing | 1.43Å | 1.43Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| O12 | C13 | sing | 1.43Å | 1.42Å | |
| C10 | O11 | sing | 1.43Å | 1.41Å | |
| C13 | N14 | sing | 1.46Å | 1.47Å | |
| C15 | N14 | sing | 1.36Å | 1.35Å | Aromatic |
| C15 | N16 | doub | 1.30Å | 1.36Å | Aromatic |
| N14 | C18 | sing | 1.36Å | 1.35Å | Aromatic |
| N16 | C17 | sing | 1.35Å | 1.35Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.49Å | |
| C17 | C22 | sing | 1.47Å | 1.53Å | |
| N19 | C20 | sing | 1.36Å | 1.47Å | |
| C20 | N24 | sing | 1.37Å | 1.46Å | |
| C20 | N21 | doub | 1.32Å | 1.44Å | |
| C22 | O23 | doub | 1.22Å | 1.18Å | |
| C22 | N21 | sing | 1.34Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| N19 | H17 | sing | 0.97Å | 1.00Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å | |
| N25 | H20 | sing | 1.01Å | 1.00Å | |
| N25 | H21 | sing | 1.01Å | 1.00Å | |
| O11 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C04 | 113.7° | 109.4° |
| C03 | C02 | C01 | 110.8° | 109.5° |
| C03 | C02 | H9 | 106.0° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.4° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.4° | 109.4° |
| O06 | C05 | C04 | 119.3° | 120.0° |
| O06 | C05 | O07 | 118.3° | 120.0° |
| C05 | C04 | C02 | 114.5° | 109.5° |
| C05 | C04 | N25 | 110.9° | 109.5° |
| C04 | C05 | O07 | 122.5° | 120.1° |
| C05 | C04 | H13 | 107.2° | 109.5° |
| C02 | C04 | N25 | 108.6° | 109.5° |
| C04 | C02 | C01 | 113.8° | 109.5° |
| C04 | C02 | H9 | 105.9° | 109.4° |
| C02 | C04 | H13 | 107.2° | 109.4° |
| N25 | C04 | H13 | 108.3° | 109.5° |
| C04 | N25 | H20 | 109.5° | 111.0° |
| C04 | N25 | H21 | 109.5° | 111.0° |
| C05 | O07 | C08 | 115.3° | 117.1° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 106.1° | 109.5° |
| O07 | C08 | C09 | 110.5° | 109.5° |
| O07 | C08 | H14 | 109.2° | 109.4° |
| O07 | C08 | H15 | 109.2° | 109.4° |
| C08 | C09 | O12 | 109.7° | 109.4° |
| C08 | C09 | C10 | 110.3° | 109.5° |
| C09 | C08 | H14 | 109.2° | 109.5° |
| C09 | C08 | H15 | 109.2° | 109.5° |
| C08 | C09 | H16 | 109.0° | 109.5° |
| O12 | C09 | C10 | 108.1° | 109.4° |
| C09 | O12 | C13 | 115.0° | 114.0° |
| O12 | C09 | H16 | 110.7° | 109.5° |
| C09 | C10 | O11 | 109.0° | 109.5° |
| C09 | C10 | H1 | 109.6° | 109.4° |
| C09 | C10 | H2 | 109.6° | 109.4° |
| C10 | C09 | H16 | 109.0° | 109.5° |
| O12 | C13 | N14 | 106.3° | 109.5° |
| O12 | C13 | H3 | 110.3° | 109.4° |
| O12 | C13 | H4 | 110.2° | 109.5° |
| O11 | C10 | H1 | 109.6° | 109.5° |
| O11 | C10 | H2 | 109.6° | 109.5° |
| C10 | O11 | H23 | 109.5° | 114.0° |
| C13 | N14 | C15 | 124.5° | 126.2° |
| C13 | N14 | C18 | 126.5° | 126.3° |
| N14 | C13 | H3 | 110.3° | 109.5° |
| N14 | C13 | H4 | 110.2° | 109.5° |
| N14 | C15 | N16 | 107.6° | 109.5° |
| C15 | N14 | C18 | 108.9° | 107.5° |
| N14 | C15 | H5 | 126.2° | 125.2° |
| C15 | N16 | C17 | 108.1° | 109.2° |
| N16 | C15 | H5 | 126.2° | 125.2° |
| N14 | C18 | C17 | 107.5° | 106.4° |
| N14 | C18 | N19 | 132.3° | 134.7° |
| N16 | C17 | C18 | 107.8° | 107.4° |
| N16 | C17 | C22 | 132.1° | 134.5° |
| C17 | C18 | N19 | 120.1° | 118.9° |
| C18 | C17 | C22 | 120.1° | 118.1° |
| C18 | N19 | C20 | 120.0° | 120.6° |
| C18 | N19 | H17 | 120.0° | 119.8° |
| C17 | C22 | O23 | 119.8° | 120.7° |
| C17 | C22 | N21 | 120.0° | 118.6° |
| N19 | C20 | N24 | 119.8° | 118.8° |
| N19 | C20 | N21 | 119.9° | 122.4° |
| C20 | N19 | H17 | 120.0° | 119.6° |
| N24 | C20 | N21 | 120.2° | 118.8° |
| C20 | N24 | H18 | 120.0° | 120.0° |
| C20 | N24 | H19 | 120.0° | 120.0° |
| C20 | N21 | C22 | 119.8° | 121.4° |
| O23 | C22 | N21 | 120.2° | 120.7° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H18 | N24 | H19 | 120.0° | 120.0° |
| H20 | N25 | H21 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C04 | C05 | 81.5° | 180.0° |
| C03 | C02 | C04 | C01 | 128.1° | 120.0° |
| C03 | C02 | C04 | H9 | 115.9° | 119.9° |
| C03 | C02 | C04 | N25 | 154.0° | 60.0° |
| C03 | C02 | C01 | H9 | 114.5° | 120.0° |
| C03 | C02 | C01 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 119.9° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C03 | C02 | C04 | H13 | 37.2° | 60.1° |
| O06 | C05 | C04 | O07 | 179.7° | 180.0° |
| O06 | C05 | C04 | C02 | 119.3° | 100.1° |
| O06 | C05 | C04 | N25 | 117.4° | 20.0° |
| O06 | C05 | O07 | C08 | 112.7° | 0.1° |
| O06 | C05 | C04 | H13 | 0.7° | 140.0° |
| C05 | C04 | C02 | N25 | 124.5° | 120.0° |
| C05 | C04 | C02 | H13 | 118.7° | 119.9° |
| C05 | C04 | N25 | H13 | 117.3° | 120.0° |
| C05 | C04 | C02 | C01 | 46.5° | 60.0° |
| C04 | C05 | O07 | C08 | 67.6° | 180.0° |
| C05 | C04 | C02 | H9 | 162.6° | 60.1° |
| C05 | C04 | N25 | H20 | 180.0° | 63.9° |
| C05 | C04 | N25 | H21 | 60.0° | 60.0° |
| C02 | C04 | N25 | H13 | 116.1° | 120.0° |
| C02 | C04 | C05 | O07 | 60.4° | 80.0° |
| C04 | C02 | C01 | H9 | 115.9° | 120.0° |
| C04 | C02 | C01 | H6 | 50.4° | 60.0° |
| C04 | C02 | C01 | H7 | 69.6° | 60.0° |
| C04 | C02 | C01 | H8 | 170.5° | 180.0° |
| C04 | C02 | C03 | H10 | 180.0° | 60.1° |
| C04 | C02 | C03 | H11 | 60.0° | 60.0° |
| C04 | C02 | C03 | H12 | 60.0° | 180.0° |
| C02 | C04 | N25 | H20 | 53.4° | 176.0° |
| C02 | C04 | N25 | H21 | 173.4° | 60.0° |
| N25 | C04 | C05 | O07 | 62.9° | 159.9° |
| N25 | C04 | C02 | C01 | 78.0° | 180.0° |
| N25 | C04 | C02 | H9 | 38.1° | 60.0° |
| C04 | N25 | H20 | H21 | 120.0° | 124.0° |
| C05 | O07 | C08 | C09 | 176.3° | 180.0° |
| O07 | C05 | C04 | H13 | 179.0° | 39.9° |
| C05 | O07 | C08 | H14 | 56.1° | 60.0° |
| C05 | O07 | C08 | H15 | 63.6° | 60.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 50.4° | 60.0° |
| C01 | C02 | C03 | H11 | 69.6° | 180.0° |
| C01 | C02 | C03 | H12 | 170.4° | 60.0° |
| C01 | C02 | C04 | H13 | 165.2° | 60.0° |
| O07 | C08 | C09 | H14 | 120.2° | 120.0° |
| O07 | C08 | C09 | H15 | 120.1° | 120.0° |
| O07 | C08 | C09 | O12 | 92.5° | 64.9° |
| O07 | C08 | C09 | C10 | 148.5° | 55.0° |
| O07 | C08 | H14 | H15 | 119.5° | 120.0° |
| O07 | C08 | C09 | H16 | 28.9° | 175.0° |
| C08 | C09 | O12 | C10 | 120.3° | 119.9° |
| C08 | C09 | O12 | H16 | 120.4° | 120.1° |
| C08 | C09 | C10 | H16 | 119.6° | 120.1° |
| C08 | C09 | O12 | C13 | 177.1° | 150.0° |
| C08 | C09 | C10 | O11 | 142.2° | 55.0° |
| C08 | C09 | C10 | H1 | 97.8° | 65.0° |
| C08 | C09 | C10 | H2 | 22.3° | 175.0° |
| C09 | C08 | H14 | H15 | 119.5° | 120.0° |
| O12 | C09 | C10 | H16 | 120.4° | 120.0° |
| O12 | C09 | C10 | O11 | 97.8° | 65.0° |
| C09 | O12 | C13 | N14 | 123.4° | 180.0° |
| O12 | C09 | C10 | H1 | 22.2° | 175.1° |
| O12 | C09 | C10 | H2 | 142.3° | 55.0° |
| C09 | O12 | C13 | H3 | 3.9° | 60.0° |
| C09 | O12 | C13 | H4 | 117.1° | 60.0° |
| O12 | C09 | C08 | H14 | 27.6° | 55.0° |
| O12 | C09 | C08 | H15 | 147.4° | 175.1° |
| C10 | C09 | O12 | C13 | 62.6° | 90.0° |
| C09 | C10 | O11 | H1 | 119.9° | 119.9° |
| C09 | C10 | O11 | H2 | 119.9° | 120.0° |
| C09 | C10 | H1 | H2 | 120.2° | 120.0° |
| C10 | C09 | C08 | H14 | 91.4° | 175.0° |
| C10 | C09 | C08 | H15 | 28.3° | 65.0° |
| C09 | C10 | O11 | H23 | 180.0° | 180.0° |
| O12 | C13 | N14 | H3 | 119.5° | 120.0° |
| O12 | C13 | N14 | H4 | 119.5° | 120.0° |
| O12 | C13 | N14 | C15 | 3.6° | 0.0° |
| O12 | C13 | N14 | C18 | 175.9° | 179.9° |
| O12 | C13 | H3 | H4 | 121.5° | 120.0° |
| C13 | O12 | C09 | H16 | 56.7° | 30.0° |
| O11 | C10 | H1 | H2 | 120.2° | 120.1° |
| O11 | C10 | C09 | H16 | 22.6° | 175.0° |
| C13 | N14 | C15 | C18 | 179.6° | 180.0° |
| C13 | N14 | C15 | N16 | 179.8° | 180.0° |
| C13 | N14 | C18 | C17 | 179.8° | 180.0° |
| C13 | N14 | C18 | N19 | 0.3° | 0.1° |
| N14 | C13 | H3 | H4 | 121.5° | 120.0° |
| C13 | N14 | C15 | H5 | 0.2° | 0.3° |
| N14 | C15 | N16 | H5 | 180.0° | 179.7° |
| N14 | C15 | N16 | C17 | 0.1° | 0.0° |
| C15 | N14 | C18 | C17 | 0.2° | 0.0° |
| C15 | N14 | C18 | N19 | 179.9° | 180.0° |
| C15 | N14 | C13 | H3 | 115.9° | 120.0° |
| C15 | N14 | C13 | H4 | 123.1° | 120.0° |
| N16 | C15 | N14 | C18 | 0.2° | 0.0° |
| C15 | N16 | C17 | C18 | 0.1° | 0.0° |
| C15 | N16 | C17 | C22 | 179.9° | 179.9° |
| N14 | C18 | C17 | N16 | 0.2° | 0.0° |
| N14 | C18 | C17 | N19 | 179.9° | 180.0° |
| N14 | C18 | C17 | C22 | 179.9° | 179.9° |
| N14 | C18 | N19 | C20 | 179.8° | 180.0° |
| C18 | N14 | C13 | H3 | 64.6° | 60.0° |
| C18 | N14 | C13 | H4 | 56.4° | 60.0° |
| C18 | N14 | C15 | H5 | 179.8° | 179.7° |
| N14 | C18 | N19 | H17 | 0.2° | 0.1° |
| N16 | C17 | C18 | C22 | 179.8° | 179.9° |
| N16 | C17 | C18 | N19 | 179.9° | 179.9° |
| N16 | C17 | C22 | O23 | 0.2° | 0.2° |
| N16 | C17 | C22 | N21 | 179.9° | 179.9° |
| C17 | N16 | C15 | H5 | 179.9° | 179.7° |
| C17 | C18 | N19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C22 | O23 | 180.0° | 180.0° |
| C18 | C17 | C22 | N21 | 0.1° | 0.1° |
| C17 | C18 | N19 | H17 | 179.9° | 180.0° |
| N19 | C18 | C17 | C22 | 0.1° | 0.1° |
| C18 | N19 | C20 | H17 | 180.0° | 179.9° |
| C18 | N19 | C20 | N24 | 180.0° | 180.0° |
| C18 | N19 | C20 | N21 | 0.1° | 0.1° |
| C17 | C22 | N21 | C20 | 0.1° | 0.0° |
| C17 | C22 | O23 | N21 | 179.9° | 179.9° |
| N19 | C20 | N24 | N21 | 179.9° | 179.9° |
| N19 | C20 | N21 | C22 | 0.0° | 0.1° |
| N19 | C20 | N24 | H18 | 180.0° | 179.9° |
| N19 | C20 | N24 | H19 | 0.1° | 0.1° |
| N24 | C20 | N21 | C22 | 179.9° | 180.0° |
| N24 | C20 | N19 | H17 | 0.0° | 0.1° |
| C20 | N24 | H18 | H19 | 180.0° | 180.0° |
| C20 | N21 | C22 | O23 | 180.0° | 179.9° |
| N21 | C20 | N19 | H17 | 179.9° | 180.0° |
| N21 | C20 | N24 | H18 | 0.0° | 0.0° |
| N21 | C20 | N24 | H19 | 180.0° | 180.0° |
| H1 | C10 | C09 | H16 | 142.6° | 55.0° |
| H1 | C10 | O11 | H23 | 60.1° | 60.1° |
| H2 | C10 | C09 | H16 | 97.3° | 65.0° |
| H2 | C10 | O11 | H23 | 60.1° | 60.0° |
| H6 | C01 | H7 | H8 | 119.9° | 120.0° |
| H6 | C01 | C02 | H9 | 65.5° | 60.0° |
| H7 | C01 | C02 | H9 | 174.5° | 180.0° |
| H8 | C01 | C02 | H9 | 54.5° | 60.1° |
| H9 | C02 | C03 | H10 | 64.1° | 180.0° |
| H9 | C02 | C03 | H11 | 175.8° | 59.9° |
| H9 | C02 | C03 | H12 | 55.8° | 60.1° |
| H9 | C02 | C04 | H13 | 78.7° | 180.0° |
| H10 | C03 | H11 | H12 | 120.0° | 120.1° |
| H13 | C04 | N25 | H20 | 62.6° | 56.1° |
| H13 | C04 | N25 | H21 | 57.3° | 179.9° |
| H14 | C08 | C09 | H16 | 149.0° | 65.0° |
| H15 | C08 | C09 | H16 | 91.2° | 55.0° |
