9SE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2A | doub | 1.21Å | 1.22Å | |
| OXT | C2A | sing | 1.34Å | 1.28Å | |
| C2A | C2 | sing | 1.51Å | 1.49Å | |
| N3 | C2 | sing | 1.49Å | 1.50Å | |
| N3 | C4 | sing | 1.47Å | 1.52Å | |
| C2B | C2 | sing | 1.53Å | 1.56Å | |
| C2 | SE1 | sing | 1.98Å | 1.99Å | |
| O42 | C4A | doub | 1.21Å | 1.19Å | |
| C4A | C4 | sing | 1.51Å | 1.45Å | |
| C4A | O41 | sing | 1.34Å | 1.23Å | |
| C4 | C5 | sing | 1.56Å | 1.53Å | |
| SE1 | C5 | sing | 1.99Å | 1.95Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| OXT | H3 | sing | 0.97Å | 0.95Å | |
| N3 | H4 | sing | 1.01Å | 1.00Å | |
| C2B | H6 | sing | 1.09Å | 1.10Å | |
| C2B | H7 | sing | 1.09Å | 1.10Å | |
| C2B | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| O41 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2A | OXT | 112.1° | 120.0° |
| O | C2A | C2 | 125.2° | 120.0° |
| OXT | C2A | C2 | 122.7° | 120.0° |
| C2A | OXT | H3 | 109.5° | 117.0° |
| C2A | C2 | N3 | 108.0° | 110.7° |
| C2A | C2 | C2B | 112.6° | 110.6° |
| C2A | C2 | SE1 | 106.1° | 110.7° |
| C2 | N3 | C4 | 105.1° | 113.6° |
| N3 | C2 | C2B | 110.0° | 110.9° |
| N3 | C2 | SE1 | 107.8° | 103.0° |
| C2 | N3 | H4 | 110.6° | 111.0° |
| N3 | C4 | C4A | 111.9° | 109.5° |
| N3 | C4 | C5 | 112.0° | 109.6° |
| C4 | N3 | H4 | 110.5° | 111.0° |
| N3 | C4 | H9 | 107.0° | 109.5° |
| C2B | C2 | SE1 | 112.1° | 110.7° |
| C2 | C2B | H6 | 109.5° | 109.5° |
| C2 | C2B | H7 | 109.4° | 109.5° |
| C2 | C2B | H8 | 109.4° | 109.5° |
| C2 | SE1 | C5 | 89.5° | 92.9° |
| O42 | C4A | C4 | 124.5° | 120.0° |
| O42 | C4A | O41 | 119.0° | 120.0° |
| C4 | C4A | O41 | 116.5° | 120.0° |
| C4A | C4 | C5 | 111.0° | 109.5° |
| C4A | C4 | H9 | 107.8° | 109.4° |
| C4A | O41 | H10 | 109.5° | 117.0° |
| C4 | C5 | SE1 | 104.4° | 99.7° |
| C4 | C5 | H1 | 110.7° | 111.3° |
| C4 | C5 | H2 | 110.7° | 111.4° |
| C5 | C4 | H9 | 106.9° | 109.4° |
| SE1 | C5 | H1 | 110.7° | 111.4° |
| SE1 | C5 | H2 | 110.7° | 111.4° |
| H1 | C5 | H2 | 109.5° | 111.2° |
| H6 | C2B | H7 | 109.5° | 109.4° |
| H6 | C2B | H8 | 109.5° | 109.5° |
| H7 | C2B | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2A | OXT | C2 | 179.2° | 179.9° |
| O | C2A | C2 | N3 | 24.4° | 0.1° |
| O | C2A | C2 | C2B | 146.1° | 123.3° |
| O | C2A | C2 | SE1 | 90.9° | 113.5° |
| O | C2A | OXT | H3 | 0.0° | 0.0° |
| OXT | C2A | C2 | N3 | 154.6° | 180.0° |
| OXT | C2A | C2 | C2B | 33.0° | 56.7° |
| OXT | C2A | C2 | SE1 | 90.0° | 66.4° |
| C2A | C2 | N3 | C2B | 123.3° | 123.1° |
| C2A | C2 | N3 | SE1 | 114.2° | 118.4° |
| C2A | C2 | N3 | C4 | 152.2° | 149.2° |
| C2A | C2 | C2B | SE1 | 119.6° | 123.1° |
| C2A | C2 | SE1 | C5 | 130.8° | 121.8° |
| C2 | C2A | OXT | H3 | 179.2° | 180.0° |
| C2A | C2 | N3 | H4 | 32.9° | 23.3° |
| C2A | C2 | C2B | H6 | 180.0° | 178.3° |
| C2A | C2 | C2B | H7 | 60.0° | 58.3° |
| C2A | C2 | C2B | H8 | 60.0° | 61.7° |
| C2 | N3 | C4 | H4 | 119.3° | 125.9° |
| N3 | C2 | C2B | SE1 | 119.9° | 113.7° |
| C2 | N3 | C4 | C4A | 176.6° | 172.5° |
| C2 | N3 | C4 | C5 | 51.3° | 52.4° |
| N3 | C2 | SE1 | C5 | 15.2° | 3.4° |
| N3 | C2 | C2B | H6 | 59.4° | 55.1° |
| N3 | C2 | C2B | H7 | 60.5° | 64.9° |
| N3 | C2 | C2B | H8 | 179.5° | 175.1° |
| C2 | N3 | C4 | H9 | 65.5° | 67.6° |
| C4 | N3 | C2 | C2B | 84.5° | 87.7° |
| C4 | N3 | C2 | SE1 | 37.9° | 30.8° |
| N3 | C4 | C4A | O42 | 31.2° | 0.0° |
| N3 | C4 | C4A | C5 | 126.0° | 120.2° |
| N3 | C4 | C4A | H9 | 117.3° | 119.9° |
| N3 | C4 | C4A | O41 | 148.1° | 180.0° |
| N3 | C4 | C5 | H9 | 116.9° | 120.0° |
| N3 | C4 | C5 | SE1 | 37.9° | 42.6° |
| N3 | C4 | C5 | H1 | 81.2° | 160.2° |
| N3 | C4 | C5 | H2 | 157.1° | 75.1° |
| C2B | C2 | SE1 | C5 | 105.9° | 115.1° |
| C2B | C2 | N3 | H4 | 156.2° | 146.4° |
| C2 | C2B | H6 | H7 | 120.0° | 120.0° |
| C2 | C2B | H6 | H8 | 120.0° | 120.0° |
| C2 | C2B | H7 | H8 | 120.0° | 120.0° |
| C2 | SE1 | C5 | C4 | 11.8° | 21.0° |
| C2 | SE1 | C5 | H1 | 107.4° | 138.6° |
| C2 | SE1 | C5 | H2 | 131.0° | 96.6° |
| SE1 | C2 | N3 | H4 | 81.3° | 95.1° |
| SE1 | C2 | C2B | H6 | 60.5° | 58.6° |
| SE1 | C2 | C2B | H7 | 179.6° | 178.5° |
| SE1 | C2 | C2B | H8 | 59.6° | 61.4° |
| O42 | C4A | C4 | O41 | 179.3° | 180.0° |
| O42 | C4A | C4 | C5 | 94.8° | 120.1° |
| O42 | C4A | C4 | H9 | 148.5° | 120.0° |
| O42 | C4A | O41 | H10 | 0.0° | 0.1° |
| C4A | C4 | C5 | H9 | 117.3° | 119.9° |
| C4A | C4 | C5 | SE1 | 163.8° | 162.7° |
| C4A | C4 | C5 | H1 | 44.6° | 79.7° |
| C4A | C4 | C5 | H2 | 77.0° | 45.0° |
| C4A | C4 | N3 | H4 | 57.3° | 46.6° |
| C4 | C4A | O41 | H10 | 179.3° | 180.0° |
| O41 | C4A | C4 | C5 | 85.9° | 59.8° |
| O41 | C4A | C4 | H9 | 30.8° | 60.1° |
| C4 | C5 | SE1 | H1 | 119.2° | 117.6° |
| C4 | C5 | SE1 | H2 | 119.2° | 117.7° |
| C4 | C5 | H1 | H2 | 122.3° | 124.8° |
| C5 | C4 | N3 | H4 | 68.0° | 73.5° |
| SE1 | C5 | H1 | H2 | 122.4° | 124.9° |
| SE1 | C5 | C4 | H9 | 78.9° | 77.4° |
| H1 | C5 | C4 | H9 | 161.9° | 40.2° |
| H2 | C5 | C4 | H9 | 40.3° | 164.9° |
| H4 | N3 | C4 | H9 | 175.2° | 166.5° |
| H6 | C2B | H7 | H8 | 120.0° | 120.0° |
