EIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C9 | sing | 1.37Å | 1.38Å | |
| F | C1 | sing | 1.40Å | 1.35Å | |
| C9 | N2 | doub | 1.31Å | 1.36Å | |
| C9 | N4 | sing | 1.36Å | 1.40Å | |
| N2 | C8 | sing | 1.34Å | 1.39Å | |
| C5 | C1 | sing | 1.54Å | 1.59Å | |
| C5 | O5 | sing | 1.44Å | 1.41Å | |
| C5 | N | sing | 1.46Å | 1.46Å | |
| N4 | C10 | sing | 1.35Å | 1.44Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.55Å | 1.57Å | |
| C8 | N | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| O5 | C3 | sing | 1.44Å | 1.41Å | |
| C3 | C2 | sing | 1.55Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O | C2 | sing | 1.43Å | 1.38Å | |
| N | C6 | sing | 1.36Å | 1.43Å | Aromatic |
| C10 | C7 | sing | 1.41Å | 1.43Å | |
| C10 | O6 | doub | 1.22Å | 1.22Å | |
| C4 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | N1 | sing | 1.36Å | 1.40Å | Aromatic |
| C6 | N1 | doub | 1.30Å | 1.34Å | Aromatic |
| O1 | P | sing | 1.61Å | 1.62Å | |
| O3 | P | doub | 1.48Å | 1.57Å | |
| P | O4 | sing | 1.61Å | 1.47Å | |
| P | O2 | sing | 1.61Å | 1.57Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H | sing | 1.09Å | 1.10Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C9 | N2 | 116.4° | 119.1° |
| N3 | C9 | N4 | 118.2° | 119.0° |
| C9 | N3 | H12 | 120.0° | 120.0° |
| C9 | N3 | H13 | 120.0° | 120.0° |
| F | C1 | C5 | 107.8° | 110.4° |
| F | C1 | C | 109.2° | 110.4° |
| F | C1 | C2 | 109.7° | 110.6° |
| N2 | C9 | N4 | 125.4° | 121.9° |
| C9 | N2 | C8 | 111.7° | 121.1° |
| C9 | N4 | C10 | 122.6° | 120.3° |
| C9 | N4 | H14 | 118.7° | 119.9° |
| N2 | C8 | N | 126.3° | 134.2° |
| N2 | C8 | C7 | 127.8° | 119.7° |
| C1 | C5 | O5 | 107.4° | 107.3° |
| C1 | C5 | N | 112.6° | 109.9° |
| C5 | C1 | C | 115.6° | 110.5° |
| C5 | C1 | C2 | 101.6° | 104.2° |
| C1 | C5 | H2 | 108.7° | 109.9° |
| O5 | C5 | N | 106.7° | 109.9° |
| C5 | O5 | C3 | 109.3° | 107.0° |
| O5 | C5 | H2 | 111.1° | 109.9° |
| C5 | N | C8 | 123.6° | 126.3° |
| C5 | N | C6 | 130.0° | 126.2° |
| N | C5 | H2 | 110.4° | 110.0° |
| N4 | C10 | C7 | 112.8° | 118.4° |
| N4 | C10 | O6 | 116.8° | 120.9° |
| C10 | N4 | H14 | 118.7° | 119.8° |
| C | C1 | C2 | 112.8° | 110.5° |
| C1 | C | H5 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 100.3° | 102.1° |
| C1 | C2 | O | 113.9° | 111.0° |
| C1 | C2 | H | 107.7° | 110.9° |
| N | C8 | C7 | 105.9° | 106.1° |
| C8 | N | C6 | 106.4° | 107.5° |
| C8 | C7 | C10 | 119.7° | 118.6° |
| C8 | C7 | N1 | 111.0° | 107.2° |
| O5 | C3 | C2 | 104.9° | 103.5° |
| O5 | C3 | C4 | 108.6° | 110.6° |
| O5 | C3 | H1 | 109.8° | 110.6° |
| C2 | C3 | C4 | 117.1° | 110.6° |
| C3 | C2 | O | 116.0° | 110.9° |
| C2 | C3 | H1 | 108.0° | 110.6° |
| C3 | C2 | H | 108.0° | 110.9° |
| C3 | C4 | O1 | 111.9° | 109.4° |
| C4 | C3 | H1 | 108.2° | 110.6° |
| C3 | C4 | H7 | 108.8° | 109.5° |
| C3 | C4 | H8 | 108.9° | 109.5° |
| O | C2 | H | 110.3° | 110.9° |
| C2 | O | H6 | 109.5° | 114.0° |
| N | C6 | N1 | 111.8° | 109.8° |
| N | C6 | H11 | 124.1° | 125.1° |
| C7 | C10 | O6 | 130.4° | 120.8° |
| C10 | C7 | N1 | 129.3° | 134.1° |
| C4 | O1 | P | 122.0° | 123.0° |
| O1 | C4 | H7 | 108.9° | 109.5° |
| O1 | C4 | H8 | 108.8° | 109.4° |
| C7 | N1 | C6 | 104.9° | 109.3° |
| N1 | C6 | H11 | 124.1° | 125.1° |
| O1 | P | O3 | 103.5° | 109.5° |
| O1 | P | O4 | 113.1° | 109.5° |
| O1 | P | O2 | 101.0° | 109.5° |
| O3 | P | O4 | 117.5° | 109.5° |
| O3 | P | O2 | 100.6° | 109.5° |
| O4 | P | O2 | 118.7° | 109.5° |
| P | O4 | H15 | 109.5° | 114.0° |
| P | O2 | H9 | 109.5° | 114.0° |
| H12 | N3 | H13 | 120.0° | 120.0° |
| H5 | C | H4 | 109.5° | 109.4° |
| H5 | C | H3 | 109.5° | 109.5° |
| H4 | C | H3 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C9 | N2 | N4 | 179.5° | 179.7° |
| N3 | C9 | N2 | C8 | 179.3° | 180.0° |
| N3 | C9 | N4 | C10 | 179.9° | 179.7° |
| N3 | C9 | N4 | H14 | 0.2° | 0.2° |
| C9 | N3 | H12 | H13 | 180.0° | 179.9° |
| F | C1 | C5 | C | 122.4° | 122.5° |
| F | C1 | C5 | C2 | 115.2° | 118.8° |
| F | C1 | C5 | O5 | 104.0° | 120.9° |
| F | C1 | C5 | N | 138.9° | 119.7° |
| F | C1 | C | C2 | 122.2° | 122.7° |
| F | C1 | C2 | C3 | 83.7° | 97.8° |
| F | C1 | C2 | O | 40.9° | 20.3° |
| F | C1 | C5 | H2 | 16.3° | 1.4° |
| F | C1 | C | H5 | 180.0° | 177.5° |
| F | C1 | C | H4 | 60.0° | 57.5° |
| F | C1 | C | H3 | 60.0° | 62.5° |
| F | C1 | C2 | H | 163.5° | 144.0° |
| N2 | C9 | N4 | C10 | 0.3° | 0.1° |
| C9 | N2 | C8 | N | 179.0° | 179.8° |
| C9 | N2 | C8 | C7 | 0.4° | 0.6° |
| N2 | C9 | N4 | H14 | 179.7° | 180.0° |
| N2 | C9 | N3 | H12 | 0.0° | 0.1° |
| N2 | C9 | N3 | H13 | 180.0° | 180.0° |
| N4 | C9 | N2 | C8 | 0.2° | 0.3° |
| C9 | N4 | C10 | H14 | 180.0° | 179.9° |
| C9 | N4 | C10 | C7 | 0.6° | 0.0° |
| C9 | N4 | C10 | O6 | 179.4° | 179.6° |
| N4 | C9 | N3 | H12 | 179.6° | 179.8° |
| N4 | C9 | N3 | H13 | 0.4° | 0.3° |
| N2 | C8 | N | C5 | 1.5° | 0.1° |
| N2 | C8 | N | C7 | 179.5° | 179.3° |
| N2 | C8 | N | C6 | 179.9° | 179.3° |
| N2 | C8 | C7 | C10 | 0.1° | 0.6° |
| N2 | C8 | C7 | N1 | 179.8° | 179.5° |
| C1 | C5 | O5 | N | 120.9° | 119.4° |
| C1 | C5 | O5 | H2 | 118.7° | 119.4° |
| C1 | C5 | N | H2 | 121.7° | 121.1° |
| C5 | C1 | C | C2 | 116.2° | 114.8° |
| C1 | C5 | N | C8 | 105.0° | 85.0° |
| C1 | C5 | O5 | C3 | 15.0° | 26.5° |
| C5 | C1 | C2 | C3 | 30.1° | 20.8° |
| C5 | C1 | C2 | O | 154.7° | 139.0° |
| C1 | C5 | N | C6 | 73.2° | 95.7° |
| C5 | C1 | C | H5 | 58.3° | 60.1° |
| C5 | C1 | C | H4 | 178.4° | 180.0° |
| C5 | C1 | C | H3 | 61.7° | 59.9° |
| C5 | C1 | C2 | H | 82.7° | 97.3° |
| O5 | C5 | N | H2 | 120.8° | 121.1° |
| O5 | C5 | C1 | C | 133.6° | 116.7° |
| O5 | C5 | C1 | C2 | 11.2° | 2.1° |
| O5 | C5 | N | C8 | 137.4° | 157.2° |
| C5 | O5 | C3 | C2 | 35.8° | 40.0° |
| C5 | O5 | C3 | C4 | 161.8° | 158.6° |
| O5 | C5 | N | C6 | 44.3° | 22.1° |
| C5 | O5 | C3 | H1 | 80.0° | 78.5° |
| N | C5 | C1 | C | 16.5° | 2.7° |
| N | C5 | C1 | C2 | 105.9° | 121.5° |
| C5 | N | C8 | C6 | 178.6° | 179.4° |
| C5 | N | C8 | C7 | 178.0° | 179.3° |
| N | C5 | O5 | C3 | 135.9° | 145.9° |
| C5 | N | C6 | N1 | 178.1° | 179.4° |
| C5 | N | C6 | H11 | 1.9° | 0.6° |
| N4 | C10 | C7 | C8 | 0.4° | 0.3° |
| N4 | C10 | C7 | O6 | 179.9° | 179.6° |
| N4 | C10 | C7 | N1 | 179.7° | 179.8° |
| C | C1 | C2 | C3 | 154.4° | 139.6° |
| C | C1 | C2 | O | 81.0° | 102.3° |
| C | C1 | C5 | H2 | 106.1° | 123.9° |
| C1 | C | H5 | H4 | 120.0° | 119.9° |
| C1 | C | H5 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.1° |
| C | C1 | C2 | H | 41.6° | 21.4° |
| C1 | C2 | C3 | O5 | 40.8° | 37.0° |
| C1 | C2 | C3 | O | 123.1° | 118.2° |
| C1 | C2 | C3 | H | 112.6° | 118.2° |
| C1 | C2 | C3 | C4 | 161.3° | 155.5° |
| C1 | C2 | O | H | 121.2° | 123.7° |
| C2 | C1 | C5 | H2 | 131.5° | 117.4° |
| C2 | C1 | C | H5 | 57.9° | 54.8° |
| C2 | C1 | C | H4 | 62.2° | 65.2° |
| C2 | C1 | C | H3 | 177.9° | 174.8° |
| C1 | C2 | C3 | H1 | 76.3° | 81.5° |
| C1 | C2 | O | H6 | 180.0° | 180.0° |
| N | C8 | C7 | C10 | 179.4° | 179.9° |
| N | C8 | C7 | N1 | 0.6° | 0.1° |
| C8 | N | C6 | N1 | 0.4° | 0.0° |
| C8 | N | C6 | H11 | 179.7° | 180.0° |
| C8 | N | C5 | H2 | 16.7° | 36.1° |
| C7 | C8 | N | C6 | 0.6° | 0.0° |
| C8 | C7 | C10 | N1 | 179.9° | 179.9° |
| C8 | C7 | C10 | O6 | 179.6° | 180.0° |
| C8 | C7 | N1 | C6 | 0.4° | 0.1° |
| O5 | C3 | C2 | C4 | 120.5° | 118.5° |
| O5 | C3 | C2 | H1 | 117.1° | 118.5° |
| O5 | C3 | C4 | H1 | 119.1° | 123.0° |
| O5 | C3 | C2 | O | 164.0° | 155.2° |
| O5 | C3 | C4 | O1 | 70.0° | 66.4° |
| C3 | O5 | C5 | H2 | 103.8° | 92.9° |
| O5 | C3 | C2 | H | 71.7° | 81.2° |
| O5 | C3 | C4 | H7 | 50.4° | 173.6° |
| O5 | C3 | C4 | H8 | 169.6° | 53.5° |
| C2 | C3 | C4 | H1 | 122.3° | 122.9° |
| C3 | C2 | O | H | 123.1° | 123.6° |
| C2 | C3 | C4 | O1 | 48.5° | 179.5° |
| C3 | C2 | O | H6 | 64.3° | 67.3° |
| C2 | C3 | C4 | H7 | 168.9° | 59.5° |
| C2 | C3 | C4 | H8 | 71.8° | 60.6° |
| C4 | C3 | C2 | O | 75.6° | 86.2° |
| C3 | C4 | O1 | H7 | 120.4° | 120.0° |
| C3 | C4 | O1 | H8 | 120.4° | 120.0° |
| C3 | C4 | O1 | P | 172.4° | 180.0° |
| C4 | C3 | C2 | H | 48.7° | 37.4° |
| C3 | C4 | H7 | H8 | 118.9° | 120.0° |
| O | C2 | C3 | H1 | 46.9° | 36.7° |
| N | C6 | N1 | C7 | 0.0° | 0.0° |
| N | C6 | N1 | H11 | 180.0° | 180.0° |
| C6 | N | C5 | H2 | 165.1° | 143.1° |
| C10 | C7 | N1 | C6 | 179.7° | 179.9° |
| C7 | C10 | N4 | H14 | 179.4° | 179.9° |
| O6 | C10 | C7 | N1 | 0.3° | 0.2° |
| O6 | C10 | N4 | H14 | 0.6° | 0.3° |
| C4 | O1 | P | O3 | 68.3° | 55.0° |
| C4 | O1 | P | O4 | 59.9° | 174.9° |
| C4 | O1 | P | O2 | 172.2° | 65.0° |
| O1 | C4 | C3 | H1 | 170.9° | 56.6° |
| O1 | C4 | H7 | H8 | 118.9° | 120.0° |
| C7 | N1 | C6 | H11 | 179.9° | 179.9° |
| O1 | P | O3 | O4 | 125.4° | 120.0° |
| O1 | P | O3 | O2 | 104.2° | 120.0° |
| O1 | P | O4 | O2 | 118.0° | 120.0° |
| P | O1 | C4 | H7 | 67.3° | 60.0° |
| P | O1 | C4 | H8 | 52.0° | 60.0° |
| O1 | P | O2 | H9 | 106.1° | 60.0° |
| O1 | P | O4 | H15 | 120.5° | 180.0° |
| O3 | P | O4 | O2 | 121.5° | 120.0° |
| O3 | P | O2 | H9 | 0.0° | 180.0° |
| O3 | P | O4 | H15 | 0.0° | 60.0° |
| O4 | P | O2 | H9 | 129.7° | 60.0° |
| O2 | P | O4 | H15 | 121.5° | 60.0° |
| H5 | C | H4 | H3 | 120.0° | 120.0° |
| H1 | C3 | C2 | H | 171.2° | 160.3° |
| H1 | C3 | C4 | H7 | 68.8° | 63.4° |
| H1 | C3 | C4 | H8 | 50.5° | 176.5° |
| H | C2 | O | H6 | 58.8° | 56.3° |
