EI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N | sing | 1.21Å | 1.40Å | |
| O1 | C1 | sing | 1.33Å | 1.36Å | |
| N | C | sing | 1.35Å | 1.46Å | |
| C1 | C5 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | doub | 1.36Å | 1.34Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | C2 | sing | 1.40Å | 1.48Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.50Å | 1.50Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | O1 | C1 | 108.1° | 111.9° |
| O1 | N | C | 109.3° | 110.7° |
| O1 | N | H7 | 125.3° | 124.7° |
| O1 | C1 | C5 | 126.1° | 129.9° |
| O1 | C1 | C2 | 110.9° | 107.3° |
| N | C | O | 130.5° | 127.4° |
| N | C | C2 | 101.8° | 105.2° |
| C | N | H7 | 125.4° | 124.6° |
| C5 | C1 | C2 | 123.0° | 122.9° |
| C1 | C5 | N1 | 104.6° | 108.3° |
| C1 | C5 | H5 | 110.7° | 109.7° |
| C1 | C5 | H6 | 110.7° | 109.7° |
| C1 | C2 | C | 110.0° | 104.9° |
| C1 | C2 | C3 | 122.9° | 124.0° |
| O | C | C2 | 127.8° | 127.4° |
| C | C2 | C3 | 127.1° | 131.1° |
| C5 | N1 | C4 | 110.5° | 111.7° |
| C5 | N1 | H1 | 109.2° | 111.0° |
| N1 | C5 | H5 | 110.7° | 109.7° |
| N1 | C5 | H6 | 110.7° | 109.7° |
| N1 | C4 | C3 | 112.6° | 109.6° |
| C4 | N1 | H1 | 109.2° | 111.1° |
| N1 | C4 | H3 | 108.7° | 109.4° |
| N1 | C4 | H4 | 108.7° | 109.4° |
| C2 | C3 | C4 | 110.3° | 107.7° |
| C2 | C3 | H8 | 109.3° | 109.8° |
| C2 | C3 | H9 | 109.3° | 109.8° |
| C3 | C4 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.4° |
| C4 | C3 | H8 | 109.3° | 109.8° |
| C4 | C3 | H9 | 109.3° | 109.9° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.7° |
| H8 | C3 | H9 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N | C | H7 | 180.0° | 180.0° |
| N | O1 | C1 | C5 | 180.0° | 179.8° |
| N | O1 | C1 | C2 | 0.0° | 0.2° |
| O1 | N | C | O | 179.8° | 179.9° |
| O1 | N | C | C2 | 0.0° | 0.0° |
| C1 | O1 | N | C | 0.0° | 0.1° |
| O1 | C1 | C5 | C2 | 180.0° | 180.0° |
| O1 | C1 | C2 | C | 0.0° | 0.2° |
| O1 | C1 | C5 | N1 | 147.8° | 163.3° |
| O1 | C1 | C2 | C3 | 179.9° | 179.8° |
| O1 | C1 | C5 | H5 | 28.6° | 43.7° |
| O1 | C1 | C5 | H6 | 92.9° | 77.0° |
| C1 | O1 | N | H7 | 180.0° | 179.9° |
| N | C | C2 | C1 | 0.0° | 0.2° |
| N | C | O | C2 | 179.7° | 180.0° |
| N | C | C2 | C3 | 179.9° | 179.8° |
| C5 | C1 | C2 | C | 180.0° | 179.8° |
| C1 | C5 | N1 | H5 | 119.2° | 119.7° |
| C1 | C5 | N1 | H6 | 119.2° | 119.7° |
| C1 | C5 | N1 | C4 | 63.7° | 51.5° |
| C5 | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C5 | N1 | H1 | 56.4° | 176.1° |
| C1 | C5 | H5 | H6 | 122.3° | 120.6° |
| C1 | C2 | C | O | 179.8° | 179.8° |
| C1 | C2 | C | C3 | 179.9° | 180.0° |
| C2 | C1 | C5 | N1 | 32.2° | 16.6° |
| C1 | C2 | C3 | C4 | 2.1° | 15.4° |
| C2 | C1 | C5 | H5 | 151.4° | 136.3° |
| C2 | C1 | C5 | H6 | 87.1° | 103.1° |
| C1 | C2 | C3 | H8 | 118.0° | 104.2° |
| C1 | C2 | C3 | H9 | 122.2° | 135.0° |
| O | C | C2 | C3 | 0.4° | 0.2° |
| O | C | N | H7 | 0.2° | 0.1° |
| C | C2 | C3 | C4 | 177.8° | 164.6° |
| C2 | C | N | H7 | 180.0° | 180.0° |
| C | C2 | C3 | H8 | 62.1° | 75.8° |
| C | C2 | C3 | H9 | 57.7° | 45.0° |
| C5 | N1 | C4 | H1 | 120.1° | 124.5° |
| C5 | N1 | C4 | C3 | 66.2° | 71.2° |
| C5 | N1 | C4 | H3 | 173.4° | 48.9° |
| C5 | N1 | C4 | H4 | 54.3° | 168.8° |
| N1 | C5 | H5 | H6 | 122.3° | 120.6° |
| N1 | C4 | C3 | C2 | 29.4° | 48.5° |
| N1 | C4 | C3 | H3 | 120.5° | 120.0° |
| N1 | C4 | C3 | H4 | 120.5° | 120.0° |
| N1 | C4 | H3 | H4 | 118.6° | 119.9° |
| C4 | N1 | C5 | H5 | 177.0° | 171.2° |
| C4 | N1 | C5 | H6 | 55.5° | 68.2° |
| N1 | C4 | C3 | H8 | 149.5° | 71.0° |
| N1 | C4 | C3 | H9 | 90.7° | 168.0° |
| C2 | C3 | C4 | H8 | 120.1° | 119.5° |
| C2 | C3 | C4 | H9 | 120.1° | 119.5° |
| C2 | C3 | C4 | H3 | 149.9° | 71.6° |
| C2 | C3 | C4 | H4 | 91.1° | 168.5° |
| C2 | C3 | H8 | H9 | 119.6° | 120.8° |
| C3 | C4 | N1 | H1 | 54.0° | 164.3° |
| C3 | C4 | H3 | H4 | 118.6° | 119.9° |
| C4 | C3 | H8 | H9 | 119.7° | 121.0° |
| H1 | N1 | C4 | H3 | 66.5° | 75.6° |
| H1 | N1 | C4 | H4 | 174.4° | 44.3° |
| H1 | N1 | C5 | H5 | 62.8° | 64.2° |
| H1 | N1 | C5 | H6 | 175.6° | 56.3° |
| H3 | C4 | C3 | H8 | 90.0° | 168.9° |
| H3 | C4 | C3 | H9 | 29.8° | 48.0° |
| H4 | C4 | C3 | H8 | 29.1° | 49.0° |
| H4 | C4 | C3 | H9 | 148.8° | 72.0° |






