S1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C2 | doub | 1.31Å | 1.36Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | O6 | doub | 1.21Å | 1.22Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C11 | 121.8° | 120.0° |
| O13 | C12 | H1 | 119.1° | 120.0° |
| C12 | C11 | C10 | 111.3° | 109.5° |
| C11 | C12 | H1 | 119.1° | 120.1° |
| C12 | C11 | H15 | 109.0° | 109.5° |
| C12 | C11 | H16 | 109.0° | 109.5° |
| C11 | C10 | C9 | 111.8° | 109.5° |
| C11 | C10 | H13 | 108.9° | 109.5° |
| C11 | C10 | H14 | 108.8° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.5° |
| C10 | C11 | H16 | 109.0° | 109.4° |
| C10 | C9 | C8 | 110.9° | 109.5° |
| C10 | C9 | H11 | 109.1° | 109.5° |
| C10 | C9 | H12 | 109.1° | 109.5° |
| C9 | C10 | H13 | 108.9° | 109.5° |
| C9 | C10 | H14 | 108.9° | 109.5° |
| C9 | C8 | C2 | 124.8° | 120.0° |
| C9 | C8 | H10 | 117.6° | 120.0° |
| C8 | C9 | H11 | 109.1° | 109.5° |
| C8 | C9 | H12 | 109.1° | 109.4° |
| C8 | C2 | C1 | 120.7° | 120.0° |
| C8 | C2 | C3 | 116.0° | 119.9° |
| C2 | C8 | H10 | 117.6° | 120.0° |
| C1 | C2 | C3 | 123.3° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.4° | 109.5° |
| C2 | C3 | C4 | 118.6° | 109.5° |
| C2 | C3 | H5 | 107.1° | 109.4° |
| C2 | C3 | H6 | 107.1° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.5° |
| C4 | C3 | H5 | 107.2° | 109.5° |
| C4 | C3 | H6 | 107.1° | 109.5° |
| C3 | C4 | H7 | 109.0° | 109.4° |
| C3 | C4 | H8 | 109.0° | 109.5° |
| C4 | C5 | O6 | 121.4° | 120.0° |
| C5 | C4 | H7 | 109.1° | 109.5° |
| C5 | C4 | H8 | 109.1° | 109.5° |
| C4 | C5 | H9 | 119.3° | 120.0° |
| O6 | C5 | H9 | 119.3° | 120.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | H1 | 180.0° | 179.8° |
| O13 | C12 | C11 | C10 | 170.4° | 125.3° |
| O13 | C12 | C11 | H15 | 69.4° | 114.8° |
| O13 | C12 | C11 | H16 | 50.1° | 5.3° |
| C12 | C11 | C10 | H15 | 120.3° | 120.0° |
| C12 | C11 | C10 | H16 | 120.3° | 120.0° |
| C12 | C11 | C10 | C9 | 154.4° | 180.0° |
| C12 | C11 | C10 | H13 | 34.0° | 60.0° |
| C12 | C11 | C10 | H14 | 85.2° | 60.0° |
| C12 | C11 | H15 | H16 | 119.2° | 120.1° |
| C11 | C10 | C9 | H13 | 120.4° | 120.0° |
| C11 | C10 | C9 | H14 | 120.3° | 120.1° |
| C11 | C10 | C9 | C8 | 148.2° | 180.0° |
| C10 | C11 | C12 | H1 | 9.6° | 55.0° |
| C11 | C10 | C9 | H11 | 27.9° | 60.0° |
| C11 | C10 | C9 | H12 | 91.6° | 60.0° |
| C11 | C10 | H13 | H14 | 118.9° | 120.0° |
| C10 | C11 | H15 | H16 | 119.1° | 120.0° |
| C10 | C9 | C8 | H11 | 120.2° | 120.0° |
| C10 | C9 | C8 | H12 | 120.2° | 120.0° |
| C10 | C9 | C8 | C2 | 119.5° | 125.5° |
| C10 | C9 | C8 | H10 | 60.5° | 54.6° |
| C10 | C9 | H11 | H12 | 119.3° | 120.0° |
| C9 | C10 | H13 | H14 | 119.0° | 120.0° |
| C9 | C10 | C11 | H15 | 85.3° | 60.0° |
| C9 | C10 | C11 | H16 | 34.1° | 60.0° |
| C9 | C8 | C2 | H10 | 180.0° | 179.9° |
| C9 | C8 | C2 | C1 | 1.5° | 5.4° |
| C9 | C8 | C2 | C3 | 179.6° | 174.5° |
| C8 | C9 | H11 | H12 | 119.4° | 120.0° |
| C8 | C9 | C10 | H13 | 91.5° | 60.0° |
| C8 | C9 | C10 | H14 | 27.8° | 60.0° |
| C8 | C2 | C1 | C3 | 178.0° | 179.9° |
| C8 | C2 | C3 | C4 | 143.7° | 95.0° |
| C8 | C2 | C1 | H2 | 180.0° | 175.0° |
| C8 | C2 | C1 | H3 | 60.0° | 65.0° |
| C8 | C2 | C1 | H4 | 60.0° | 55.0° |
| C8 | C2 | C3 | H5 | 22.3° | 145.1° |
| C8 | C2 | C3 | H6 | 95.0° | 25.1° |
| C2 | C8 | C9 | H11 | 0.7° | 114.5° |
| C2 | C8 | C9 | H12 | 120.3° | 5.5° |
| C1 | C2 | C3 | C4 | 38.3° | 84.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 159.6° | 35.0° |
| C1 | C2 | C3 | H6 | 83.0° | 155.0° |
| C1 | C2 | C8 | H10 | 178.5° | 174.5° |
| C2 | C3 | C4 | H5 | 121.3° | 119.9° |
| C2 | C3 | C4 | H6 | 121.3° | 120.1° |
| C2 | C3 | C4 | C5 | 104.7° | 180.0° |
| C3 | C2 | C1 | H2 | 2.0° | 5.1° |
| C3 | C2 | C1 | H3 | 117.9° | 114.9° |
| C3 | C2 | C1 | H4 | 122.0° | 125.0° |
| C2 | C3 | H5 | H6 | 115.8° | 120.0° |
| C2 | C3 | C4 | H7 | 135.1° | 60.1° |
| C2 | C3 | C4 | H8 | 15.6° | 60.0° |
| C3 | C2 | C8 | H10 | 0.4° | 5.5° |
| C3 | C4 | C5 | H7 | 120.2° | 119.9° |
| C3 | C4 | C5 | H8 | 120.2° | 120.0° |
| C3 | C4 | C5 | O6 | 167.7° | 125.0° |
| C4 | C3 | H5 | H6 | 115.9° | 120.0° |
| C3 | C4 | H7 | H8 | 119.2° | 120.0° |
| C3 | C4 | C5 | H9 | 12.3° | 55.0° |
| C4 | C5 | O6 | H9 | 180.0° | 180.0° |
| C5 | C4 | C3 | H5 | 16.6° | 60.0° |
| C5 | C4 | C3 | H6 | 134.0° | 59.9° |
| C5 | C4 | H7 | H8 | 119.2° | 120.0° |
| O6 | C5 | C4 | H7 | 72.0° | 5.0° |
| O6 | C5 | C4 | H8 | 47.5° | 115.0° |
| H1 | C12 | C11 | H15 | 110.6° | 65.0° |
| H1 | C12 | C11 | H16 | 129.9° | 174.9° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H5 | C3 | C4 | H7 | 103.7° | 180.0° |
| H5 | C3 | C4 | H8 | 136.9° | 59.9° |
| H6 | C3 | C4 | H7 | 13.8° | 60.0° |
| H6 | C3 | C4 | H8 | 105.7° | 179.9° |
| H7 | C4 | C5 | H9 | 108.0° | 175.0° |
| H8 | C4 | C5 | H9 | 132.5° | 65.0° |
| H10 | C8 | C9 | H11 | 179.3° | 65.4° |
| H10 | C8 | C9 | H12 | 59.7° | 174.6° |
| H11 | C9 | C10 | H13 | 148.3° | 180.0° |
| H11 | C9 | C10 | H14 | 92.4° | 60.0° |
| H12 | C9 | C10 | H13 | 28.8° | 60.0° |
| H12 | C9 | C10 | H14 | 148.1° | 179.9° |
| H13 | C10 | C11 | H15 | 154.3° | 60.0° |
| H13 | C10 | C11 | H16 | 86.3° | 180.0° |
| H14 | C10 | C11 | H15 | 35.0° | 180.0° |
| H14 | C10 | C11 | H16 | 154.5° | 60.0° |
