NSN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.49Å | 1.40Å | |
| C2 | N1 | doub | 1.29Å | 1.48Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | N3 | sing | 1.37Å | 86.10Å | |
| N1 | C4 | sing | 1.47Å | 1.67Å | |
| N1 | HN1 | sing | 1.03Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.52Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | O2 | sing | 1.26Å | 1.25Å | |
| C6 | O3 | doub | 1.27Å | 1.25Å | |
| C7 | N2 | sing | 1.38Å | 1.23Å | |
| C7 | O4 | doub | 1.23Å | 1.24Å | |
| N2 | HN21 | sing | 1.02Å | 1.00Å | |
| N2 | HN22 | sing | 1.01Å | 1.00Å | |
| N3 | HN31 | sing | 1.01Å | 1.02Å | |
| N3 | HN32 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.4° | 112.5° |
| C2 | C1 | H12 | 109.5° | 109.0° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | C3 | 121.2° | 118.5° |
| C1 | C2 | N1 | 115.9° | 118.0° |
| H11 | C1 | H12 | 109.5° | 108.7° |
| H11 | C1 | H13 | 109.5° | 108.4° |
| H12 | C1 | H13 | 109.4° | 108.6° |
| C3 | C2 | N1 | 122.8° | 123.5° |
| C2 | C3 | O1 | 114.8° | 118.9° |
| C2 | C3 | N3 | 155.1° | 113.1° |
| C2 | N1 | C4 | 132.0° | 128.4° |
| C2 | N1 | HN1 | 114.0° | 117.5° |
| O1 | C3 | N3 | 80.7° | 128.0° |
| C3 | N3 | HN31 | 155.1° | 118.8° |
| C3 | N3 | HN32 | 80.7° | 122.3° |
| C4 | N1 | HN1 | 114.0° | 114.1° |
| N1 | C4 | C5 | 101.1° | 108.1° |
| N1 | C4 | C7 | 101.0° | 106.2° |
| N1 | C4 | H4 | 119.4° | 106.9° |
| C5 | C4 | C7 | 108.9° | 113.0° |
| C5 | C4 | H4 | 112.6° | 111.3° |
| C4 | C5 | C6 | 115.3° | 115.4° |
| C4 | C5 | H51 | 106.2° | 110.6° |
| C4 | C5 | H52 | 107.6° | 109.8° |
| C7 | C4 | H4 | 112.7° | 111.0° |
| C4 | C7 | N2 | 111.7° | 113.2° |
| C4 | C7 | O4 | 115.5° | 123.5° |
| C6 | C5 | H51 | 106.3° | 107.7° |
| C6 | C5 | H52 | 107.6° | 106.3° |
| C5 | C6 | O2 | 119.5° | 116.7° |
| C5 | C6 | O3 | 117.7° | 114.0° |
| H51 | C5 | H52 | 114.1° | 106.5° |
| O2 | C6 | O3 | 122.7° | 129.3° |
| N2 | C7 | O4 | 132.8° | 123.4° |
| C7 | N2 | HN21 | 125.9° | 120.8° |
| C7 | N2 | HN22 | 108.2° | 122.5° |
| HN21 | N2 | HN22 | 125.9° | 116.7° |
| HN31 | N3 | HN32 | 114.8° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.9° |
| C2 | C1 | H11 | H13 | 120.0° | 121.3° |
| C2 | C1 | H12 | H13 | 120.0° | 119.3° |
| C1 | C2 | C3 | N1 | 177.1° | 178.6° |
| C1 | C2 | C3 | O1 | 150.8° | 89.9° |
| C1 | C2 | C3 | N3 | 84.2° | 90.0° |
| C1 | C2 | N1 | C4 | 32.8° | 1.3° |
| C1 | C2 | N1 | HN1 | 147.2° | 178.6° |
| H11 | C1 | H12 | H13 | 120.0° | 117.7° |
| H11 | C1 | C2 | C3 | 98.7° | 172.9° |
| H11 | C1 | C2 | N1 | 78.6° | 8.4° |
| H12 | C1 | C2 | C3 | 141.3° | 66.4° |
| H12 | C1 | C2 | N1 | 41.5° | 112.3° |
| H13 | C1 | C2 | C3 | 21.3° | 52.3° |
| H13 | C1 | C2 | N1 | 161.4° | 129.0° |
| C2 | C3 | O1 | N3 | 159.5° | 179.8° |
| C3 | C2 | N1 | C4 | 150.0° | 180.0° |
| C3 | C2 | N1 | HN1 | 30.0° | 0.0° |
| C2 | C3 | N3 | HN31 | 179.9° | 179.9° |
| C2 | C3 | N3 | HN32 | 48.9° | 0.1° |
| N1 | C2 | C3 | O1 | 26.2° | 91.5° |
| N1 | C2 | C3 | N3 | 98.8° | 88.7° |
| C2 | N1 | C4 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C4 | C5 | 161.1° | 150.0° |
| C2 | N1 | C4 | C7 | 87.0° | 88.5° |
| C2 | N1 | C4 | H4 | 37.1° | 30.0° |
| O1 | C3 | N3 | HN31 | 48.9° | 0.0° |
| O1 | C3 | N3 | HN32 | 180.0° | 179.9° |
| C3 | N3 | HN31 | HN32 | 124.9° | 180.0° |
| N1 | C4 | C5 | C7 | 105.8° | 117.3° |
| N1 | C4 | C5 | H4 | 128.5° | 117.1° |
| N1 | C4 | C7 | H4 | 128.5° | 115.8° |
| N1 | C4 | C5 | C6 | 76.5° | 60.1° |
| N1 | C4 | C5 | H51 | 166.1° | 177.3° |
| N1 | C4 | C5 | H52 | 43.5° | 60.1° |
| N1 | C4 | C7 | N2 | 164.0° | 144.9° |
| N1 | C4 | C7 | O4 | 16.1° | 34.1° |
| HN1 | N1 | C4 | C5 | 18.9° | 30.0° |
| HN1 | N1 | C4 | C7 | 93.1° | 91.5° |
| HN1 | N1 | C4 | H4 | 142.9° | 150.0° |
| C5 | C4 | C7 | H4 | 125.7° | 125.8° |
| C4 | C5 | C6 | H51 | 117.4° | 124.2° |
| C4 | C5 | C6 | H52 | 120.0° | 122.0° |
| C4 | C5 | H51 | H52 | 118.4° | 119.3° |
| C4 | C5 | C6 | O2 | 6.5° | 34.2° |
| C4 | C5 | C6 | O3 | 175.5° | 145.5° |
| C5 | C4 | C7 | N2 | 90.1° | 96.7° |
| C5 | C4 | C7 | O4 | 89.8° | 84.2° |
| C7 | C4 | C5 | C6 | 177.7° | 177.3° |
| C7 | C4 | C5 | H51 | 60.3° | 60.0° |
| C7 | C4 | C5 | H52 | 62.3° | 57.2° |
| C4 | C7 | N2 | O4 | 179.9° | 179.1° |
| C4 | C7 | N2 | HN21 | 0.0° | 179.7° |
| C4 | C7 | N2 | HN22 | 180.0° | 0.3° |
| H4 | C4 | C5 | C6 | 52.0° | 57.0° |
| H4 | C4 | C5 | H51 | 65.4° | 65.6° |
| H4 | C4 | C5 | H52 | 172.0° | 177.2° |
| H4 | C4 | C7 | N2 | 35.5° | 29.1° |
| H4 | C4 | C7 | O4 | 144.6° | 149.9° |
| C6 | C5 | H51 | H52 | 118.4° | 113.7° |
| C5 | C6 | O2 | O3 | 177.8° | 179.6° |
| H51 | C5 | C6 | O2 | 110.9° | 89.9° |
| H51 | C5 | C6 | O3 | 67.1° | 90.4° |
| H52 | C5 | C6 | O2 | 126.5° | 156.3° |
| H52 | C5 | C6 | O3 | 55.6° | 23.4° |
| C7 | N2 | HN21 | HN22 | 180.0° | 179.9° |
| O4 | C7 | N2 | HN21 | 179.9° | 0.6° |
| O4 | C7 | N2 | HN22 | 0.1° | 179.3° |
