6EM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N4 | sing | 1.47Å | 1.51Å | |
| C10 | N4 | sing | 1.47Å | 1.48Å | |
| C8 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C3 | sing | 1.47Å | 1.53Å | |
| N7 | C5 | sing | 1.35Å | 1.34Å | |
| C3 | C5 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C5 | O6 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N7 | H16 | sing | 0.97Å | 1.00Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N4 | C10 | 102.8° | 109.4° |
| C9 | N4 | C8 | 109.4° | 109.5° |
| C9 | N4 | C3 | 120.1° | 109.5° |
| N4 | C9 | H10 | 109.5° | 109.4° |
| N4 | C9 | H11 | 109.5° | 109.5° |
| N4 | C9 | H12 | 109.5° | 109.5° |
| C10 | N4 | C8 | 104.8° | 109.5° |
| C10 | N4 | C3 | 106.6° | 109.5° |
| N4 | C10 | H13 | 109.5° | 109.5° |
| N4 | C10 | H14 | 109.5° | 109.5° |
| N4 | C10 | H15 | 109.5° | 109.4° |
| C8 | N4 | C3 | 111.6° | 109.5° |
| N4 | C8 | H7 | 109.5° | 109.5° |
| N4 | C8 | H8 | 109.4° | 109.5° |
| N4 | C8 | H9 | 109.5° | 109.4° |
| N4 | C3 | C5 | 101.8° | 109.5° |
| N4 | C3 | C2 | 129.8° | 109.5° |
| N4 | C3 | H6 | 105.0° | 109.5° |
| N7 | C5 | C3 | 122.1° | 120.0° |
| N7 | C5 | O6 | 122.1° | 120.0° |
| C5 | N7 | H16 | 120.0° | 119.9° |
| C5 | N7 | H17 | 120.0° | 120.0° |
| C5 | C3 | C2 | 108.3° | 109.4° |
| C3 | C5 | O6 | 115.8° | 119.9° |
| C5 | C3 | H6 | 105.3° | 109.4° |
| C3 | C2 | C1 | 125.1° | 109.4° |
| C3 | C2 | H4 | 105.4° | 109.5° |
| C3 | C2 | H5 | 105.4° | 109.5° |
| C2 | C3 | H6 | 104.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.4° |
| C1 | C2 | H4 | 105.5° | 109.4° |
| C1 | C2 | H5 | 105.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| H10 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | N7 | H17 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N4 | C10 | C8 | 114.4° | 120.0° |
| C9 | N4 | C10 | C3 | 127.2° | 120.0° |
| C9 | N4 | C8 | C3 | 135.4° | 120.0° |
| C9 | N4 | C3 | C5 | 39.7° | 158.8° |
| C9 | N4 | C3 | C2 | 86.5° | 81.2° |
| C9 | N4 | C3 | H6 | 149.3° | 38.8° |
| C9 | N4 | C8 | H7 | 180.0° | 68.8° |
| C9 | N4 | C8 | H8 | 60.0° | 171.2° |
| C9 | N4 | C8 | H9 | 60.0° | 51.2° |
| N4 | C9 | H10 | H11 | 120.0° | 119.9° |
| N4 | C9 | H10 | H12 | 120.0° | 120.0° |
| N4 | C9 | H11 | H12 | 120.0° | 120.0° |
| C9 | N4 | C10 | H13 | 180.0° | 39.7° |
| C9 | N4 | C10 | H14 | 60.0° | 80.4° |
| C9 | N4 | C10 | H15 | 60.0° | 159.7° |
| C10 | N4 | C8 | C3 | 115.0° | 120.0° |
| C10 | N4 | C3 | C5 | 76.4° | 38.8° |
| C10 | N4 | C3 | C2 | 157.4° | 158.8° |
| C10 | N4 | C3 | H6 | 33.2° | 81.2° |
| C10 | N4 | C8 | H7 | 70.3° | 51.2° |
| C10 | N4 | C8 | H8 | 49.6° | 68.9° |
| C10 | N4 | C8 | H9 | 169.6° | 171.1° |
| C10 | N4 | C9 | H10 | 180.0° | 172.9° |
| C10 | N4 | C9 | H11 | 60.0° | 53.0° |
| C10 | N4 | C9 | H12 | 60.0° | 67.1° |
| N4 | C10 | H13 | H14 | 120.0° | 120.0° |
| N4 | C10 | H13 | H15 | 120.0° | 119.9° |
| N4 | C10 | H14 | H15 | 120.0° | 119.9° |
| C8 | N4 | C3 | C5 | 169.7° | 81.2° |
| C8 | N4 | C3 | C2 | 43.5° | 38.8° |
| C8 | N4 | C3 | H6 | 80.7° | 158.8° |
| N4 | C8 | H7 | H8 | 120.0° | 120.0° |
| N4 | C8 | H7 | H9 | 120.0° | 119.9° |
| N4 | C8 | H8 | H9 | 120.0° | 119.9° |
| C8 | N4 | C9 | H10 | 69.1° | 67.1° |
| C8 | N4 | C9 | H11 | 51.0° | 173.0° |
| C8 | N4 | C9 | H12 | 170.9° | 52.9° |
| C8 | N4 | C10 | H13 | 65.6° | 80.3° |
| C8 | N4 | C10 | H14 | 174.3° | 159.6° |
| C8 | N4 | C10 | H15 | 54.4° | 39.7° |
| N4 | C3 | C5 | N7 | 83.7° | 143.3° |
| N4 | C3 | C5 | C2 | 139.3° | 120.0° |
| N4 | C3 | C5 | H6 | 109.3° | 120.0° |
| N4 | C3 | C2 | H6 | 124.3° | 120.0° |
| N4 | C3 | C5 | O6 | 93.0° | 36.7° |
| N4 | C3 | C2 | C1 | 15.8° | 66.7° |
| N4 | C3 | C2 | H4 | 106.3° | 173.4° |
| N4 | C3 | C2 | H5 | 137.9° | 53.2° |
| C3 | N4 | C8 | H7 | 44.6° | 171.2° |
| C3 | N4 | C8 | H8 | 164.6° | 51.2° |
| C3 | N4 | C8 | H9 | 75.4° | 68.8° |
| C3 | N4 | C9 | H10 | 61.9° | 52.9° |
| C3 | N4 | C9 | H11 | 178.1° | 67.0° |
| C3 | N4 | C9 | H12 | 58.1° | 172.9° |
| C3 | N4 | C10 | H13 | 52.8° | 159.7° |
| C3 | N4 | C10 | H14 | 67.3° | 39.6° |
| C3 | N4 | C10 | H15 | 172.8° | 80.4° |
| N7 | C5 | C3 | O6 | 176.8° | 180.0° |
| N7 | C5 | C3 | C2 | 55.5° | 96.7° |
| N7 | C5 | C3 | H6 | 166.9° | 23.3° |
| C5 | N7 | H16 | H17 | 180.0° | 180.0° |
| C5 | C3 | C2 | H6 | 111.9° | 119.9° |
| C5 | C3 | C2 | C1 | 139.6° | 173.3° |
| C5 | C3 | C2 | H4 | 17.4° | 53.3° |
| C5 | C3 | C2 | H5 | 98.3° | 66.8° |
| C3 | C5 | N7 | H16 | 176.6° | 0.0° |
| C3 | C5 | N7 | H17 | 3.5° | 180.0° |
| C2 | C3 | C5 | O6 | 127.7° | 83.4° |
| C3 | C2 | C1 | H4 | 122.1° | 120.0° |
| C3 | C2 | C1 | H5 | 122.1° | 119.9° |
| C3 | C2 | C1 | H1 | 180.0° | 34.3° |
| C3 | C2 | C1 | H2 | 60.0° | 85.6° |
| C3 | C2 | C1 | H3 | 60.0° | 154.3° |
| C3 | C2 | H4 | H5 | 113.0° | 120.1° |
| O6 | C5 | C3 | H6 | 16.3° | 156.7° |
| O6 | C5 | N7 | H16 | 0.0° | 180.0° |
| O6 | C5 | N7 | H17 | 180.0° | 0.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 113.0° | 120.0° |
| C1 | C2 | C3 | H6 | 108.5° | 53.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 57.9° | 85.7° |
| H1 | C1 | C2 | H5 | 57.9° | 154.3° |
| H2 | C1 | C2 | H4 | 177.9° | 154.3° |
| H2 | C1 | C2 | H5 | 62.1° | 34.3° |
| H3 | C1 | C2 | H4 | 62.1° | 34.3° |
| H3 | C1 | C2 | H5 | 177.9° | 85.7° |
| H4 | C2 | C3 | H6 | 129.4° | 66.6° |
| H5 | C2 | C3 | H6 | 13.6° | 173.3° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
| H10 | C9 | H11 | H12 | 120.0° | 120.0° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
