8NT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.54Å | 1.44Å | |
| C5 | S2 | sing | 1.83Å | 1.75Å | |
| C6 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.37Å | |
| C2 | S1 | sing | 1.83Å | 1.86Å | |
| C1 | C7 | sing | 1.53Å | 1.54Å | |
| S2 | S1 | sing | 2.07Å | 2.02Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.51Å | 1.47Å | |
| C10 | N1 | sing | 1.35Å | 1.45Å | |
| C10 | O1 | doub | 1.21Å | 1.18Å | |
| N1 | C13 | sing | 1.46Å | 1.32Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | S3 | sing | 1.81Å | 1.85Å | |
| O3 | S3 | doub | 1.42Å | 1.56Å | |
| O2 | S3 | doub | 1.42Å | 1.50Å | |
| S3 | O4 | sing | 1.52Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | S2 | 107.8° | 105.8° |
| C5 | C6 | C2 | 107.4° | 110.8° |
| C6 | C5 | H10 | 109.9° | 110.2° |
| C6 | C5 | H11 | 109.9° | 110.2° |
| C5 | C6 | H12 | 110.0° | 109.3° |
| C5 | C6 | H13 | 110.0° | 109.2° |
| C5 | S2 | S1 | 102.7° | 97.3° |
| S2 | C5 | H10 | 109.9° | 110.2° |
| S2 | C5 | H11 | 109.9° | 110.2° |
| C6 | C2 | C1 | 114.3° | 110.2° |
| C6 | C2 | S1 | 104.9° | 105.7° |
| C6 | C2 | H3 | 110.9° | 110.2° |
| C2 | C6 | H12 | 110.0° | 109.2° |
| C2 | C6 | H13 | 110.0° | 109.2° |
| C1 | C2 | S1 | 105.2° | 110.2° |
| C2 | C1 | C7 | 110.6° | 109.5° |
| C2 | C1 | H1 | 109.2° | 109.4° |
| C2 | C1 | H2 | 109.2° | 109.5° |
| C1 | C2 | H3 | 113.6° | 110.1° |
| C2 | S1 | S2 | 86.5° | 97.3° |
| S1 | C2 | H3 | 107.2° | 110.2° |
| C1 | C7 | C8 | 105.2° | 109.4° |
| C7 | C1 | H1 | 109.2° | 109.5° |
| C7 | C1 | H2 | 109.2° | 109.5° |
| C1 | C7 | H14 | 110.5° | 109.4° |
| C1 | C7 | H15 | 110.5° | 109.5° |
| C7 | C8 | C9 | 110.2° | 109.4° |
| C8 | C7 | H14 | 110.5° | 109.5° |
| C8 | C7 | H15 | 110.5° | 109.5° |
| C7 | C8 | H16 | 109.3° | 109.5° |
| C7 | C8 | H17 | 109.3° | 109.5° |
| C8 | C9 | C10 | 109.8° | 109.5° |
| C9 | C8 | H16 | 109.3° | 109.5° |
| C9 | C8 | H17 | 109.3° | 109.5° |
| C8 | C9 | H18 | 109.4° | 109.4° |
| C8 | C9 | H19 | 109.4° | 109.5° |
| C9 | C10 | N1 | 117.3° | 120.0° |
| C9 | C10 | O1 | 119.5° | 120.0° |
| C10 | C9 | H18 | 109.4° | 109.5° |
| C10 | C9 | H19 | 109.4° | 109.5° |
| N1 | C10 | O1 | 123.2° | 120.0° |
| C10 | N1 | C13 | 119.2° | 120.0° |
| C10 | N1 | H20 | 120.4° | 120.0° |
| N1 | C13 | C14 | 110.6° | 109.5° |
| N1 | C13 | H4 | 109.2° | 109.4° |
| N1 | C13 | H5 | 109.2° | 109.4° |
| C13 | N1 | H20 | 120.4° | 120.0° |
| C13 | C14 | C15 | 106.6° | 109.4° |
| C14 | C13 | H4 | 109.2° | 109.4° |
| C14 | C13 | H5 | 109.2° | 109.5° |
| C13 | C14 | H6 | 110.2° | 109.5° |
| C13 | C14 | H7 | 110.2° | 109.4° |
| C14 | C15 | S3 | 120.7° | 109.4° |
| C15 | C14 | H6 | 110.2° | 109.5° |
| C15 | C14 | H7 | 110.1° | 109.5° |
| C14 | C15 | H8 | 106.6° | 109.5° |
| C14 | C15 | H9 | 106.6° | 109.5° |
| C15 | S3 | O3 | 125.5° | 110.5° |
| C15 | S3 | O2 | 104.2° | 110.5° |
| C15 | S3 | O4 | 110.8° | 104.4° |
| S3 | C15 | H8 | 106.6° | 109.5° |
| S3 | C15 | H9 | 106.6° | 109.5° |
| O3 | S3 | O2 | 102.3° | 121.1° |
| O3 | S3 | O4 | 105.1° | 104.3° |
| O2 | S3 | O4 | 107.7° | 104.3° |
| S3 | O4 | H21 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 110.2° |
| H12 | C6 | H13 | 109.5° | 109.1° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | S2 | H10 | 119.7° | 119.1° |
| C6 | C5 | S2 | H11 | 119.7° | 119.1° |
| C5 | C6 | C2 | H12 | 119.7° | 120.4° |
| C5 | C6 | C2 | H13 | 119.7° | 120.3° |
| C5 | C6 | C2 | C1 | 175.3° | 169.3° |
| C5 | C6 | C2 | S1 | 60.6° | 50.2° |
| C6 | C5 | S2 | S1 | 6.1° | 26.1° |
| C5 | C6 | C2 | H3 | 54.7° | 68.9° |
| C6 | C5 | H10 | H11 | 120.8° | 121.9° |
| C5 | C6 | H12 | H13 | 121.0° | 119.4° |
| S2 | C5 | C6 | C2 | 40.0° | 50.2° |
| C5 | S2 | S1 | C2 | 22.6° | 0.0° |
| S2 | C5 | H10 | H11 | 120.8° | 121.8° |
| S2 | C5 | C6 | H12 | 79.7° | 170.5° |
| S2 | C5 | C6 | H13 | 159.6° | 70.1° |
| C6 | C2 | C1 | S1 | 114.5° | 116.4° |
| C6 | C2 | C1 | H3 | 128.6° | 121.8° |
| C6 | C2 | S1 | H3 | 117.9° | 119.1° |
| C6 | C2 | C1 | C7 | 146.6° | 177.3° |
| C6 | C2 | S1 | S2 | 45.7° | 26.1° |
| C6 | C2 | C1 | H1 | 26.5° | 62.8° |
| C6 | C2 | C1 | H2 | 93.2° | 57.2° |
| C2 | C6 | C5 | H10 | 79.8° | 68.9° |
| C2 | C6 | C5 | H11 | 159.7° | 169.3° |
| C2 | C6 | H12 | H13 | 121.0° | 119.3° |
| C1 | C2 | S1 | H3 | 121.2° | 121.8° |
| C2 | C1 | C7 | H1 | 120.2° | 119.9° |
| C2 | C1 | C7 | H2 | 120.2° | 120.1° |
| C1 | C2 | S1 | S2 | 166.6° | 145.2° |
| C2 | C1 | C7 | C8 | 176.7° | 180.0° |
| C2 | C1 | H1 | H2 | 119.5° | 120.0° |
| C1 | C2 | C6 | H12 | 55.7° | 70.3° |
| C1 | C2 | C6 | H13 | 65.0° | 49.0° |
| C2 | C1 | C7 | H14 | 64.0° | 60.1° |
| C2 | C1 | C7 | H15 | 57.4° | 59.9° |
| S1 | C2 | C1 | C7 | 32.1° | 66.4° |
| S1 | C2 | C1 | H1 | 88.0° | 53.6° |
| S1 | C2 | C1 | H2 | 152.3° | 173.5° |
| S1 | C2 | C6 | H12 | 59.0° | 170.5° |
| S1 | C2 | C6 | H13 | 179.7° | 70.2° |
| C1 | C7 | C8 | H14 | 119.3° | 119.9° |
| C1 | C7 | C8 | H15 | 119.3° | 120.0° |
| C1 | C7 | C8 | C9 | 151.1° | 179.9° |
| C7 | C1 | H1 | H2 | 119.5° | 120.1° |
| C7 | C1 | C2 | H3 | 84.8° | 55.4° |
| C1 | C7 | H14 | H15 | 122.0° | 120.0° |
| C1 | C7 | C8 | H16 | 88.8° | 60.1° |
| C1 | C7 | C8 | H17 | 31.0° | 60.0° |
| S2 | S1 | C2 | H3 | 72.2° | 93.0° |
| S1 | S2 | C5 | H10 | 113.6° | 93.0° |
| S1 | S2 | C5 | H11 | 125.8° | 145.2° |
| C7 | C8 | C9 | H16 | 120.1° | 120.0° |
| C7 | C8 | C9 | H17 | 120.1° | 120.0° |
| C7 | C8 | C9 | C10 | 119.6° | 180.0° |
| C8 | C7 | C1 | H1 | 56.5° | 60.1° |
| C8 | C7 | C1 | H2 | 63.2° | 60.0° |
| C8 | C7 | H14 | H15 | 122.0° | 120.1° |
| C7 | C8 | H16 | H17 | 119.7° | 120.0° |
| C7 | C8 | C9 | H18 | 120.4° | 60.0° |
| C7 | C8 | C9 | H19 | 0.5° | 59.9° |
| C8 | C9 | C10 | H18 | 120.0° | 119.9° |
| C8 | C9 | C10 | H19 | 120.0° | 120.1° |
| C8 | C9 | C10 | N1 | 78.6° | 180.0° |
| C8 | C9 | C10 | O1 | 101.5° | 0.0° |
| C9 | C8 | C7 | H14 | 31.8° | 60.0° |
| C9 | C8 | C7 | H15 | 89.6° | 60.0° |
| C9 | C8 | H16 | H17 | 119.7° | 120.0° |
| C8 | C9 | H18 | H19 | 119.9° | 120.0° |
| C9 | C10 | N1 | O1 | 179.9° | 180.0° |
| C9 | C10 | N1 | C13 | 177.5° | 180.0° |
| C10 | C9 | C8 | H16 | 0.5° | 60.0° |
| C10 | C9 | C8 | H17 | 120.3° | 60.0° |
| C10 | C9 | H18 | H19 | 119.9° | 120.1° |
| C9 | C10 | N1 | H20 | 2.5° | 0.0° |
| C10 | N1 | C13 | H20 | 180.0° | 180.0° |
| C10 | N1 | C13 | C14 | 63.2° | 180.0° |
| C10 | N1 | C13 | H4 | 176.6° | 60.0° |
| C10 | N1 | C13 | H5 | 57.0° | 60.0° |
| N1 | C10 | C9 | H18 | 41.4° | 60.0° |
| N1 | C10 | C9 | H19 | 161.4° | 60.0° |
| O1 | C10 | N1 | C13 | 2.6° | 0.0° |
| O1 | C10 | C9 | H18 | 138.5° | 120.0° |
| O1 | C10 | C9 | H19 | 18.5° | 120.0° |
| O1 | C10 | N1 | H20 | 177.4° | 180.0° |
| N1 | C13 | C14 | H4 | 120.2° | 119.9° |
| N1 | C13 | C14 | H5 | 120.2° | 120.0° |
| N1 | C13 | C14 | C15 | 55.3° | 180.0° |
| N1 | C13 | H4 | H5 | 119.5° | 120.0° |
| N1 | C13 | C14 | H6 | 174.9° | 60.0° |
| N1 | C13 | C14 | H7 | 64.2° | 60.0° |
| C13 | C14 | C15 | H6 | 119.5° | 120.0° |
| C13 | C14 | C15 | H7 | 119.6° | 120.0° |
| C13 | C14 | C15 | S3 | 130.2° | 180.0° |
| C14 | C13 | H4 | H5 | 119.5° | 120.1° |
| C13 | C14 | H6 | H7 | 121.3° | 119.9° |
| C13 | C14 | C15 | H8 | 108.2° | 60.0° |
| C13 | C14 | C15 | H9 | 8.6° | 60.0° |
| C14 | C13 | N1 | H20 | 116.8° | 0.0° |
| C14 | C15 | S3 | H8 | 121.6° | 120.0° |
| C14 | C15 | S3 | H9 | 121.6° | 120.0° |
| C14 | C15 | S3 | O3 | 123.9° | 68.4° |
| C14 | C15 | S3 | O2 | 119.3° | 68.4° |
| C14 | C15 | S3 | O4 | 3.8° | 180.0° |
| C15 | C14 | C13 | H4 | 64.8° | 60.1° |
| C15 | C14 | C13 | H5 | 175.5° | 60.0° |
| C15 | C14 | H6 | H7 | 121.3° | 120.1° |
| C14 | C15 | H8 | H9 | 114.9° | 120.0° |
| C15 | S3 | O3 | O2 | 117.6° | 131.5° |
| C15 | S3 | O3 | O4 | 130.0° | 111.7° |
| C15 | S3 | O2 | O4 | 117.7° | 111.7° |
| S3 | C15 | C14 | H6 | 10.6° | 60.0° |
| S3 | C15 | C14 | H7 | 110.3° | 60.0° |
| S3 | C15 | H8 | H9 | 115.0° | 120.0° |
| C15 | S3 | O4 | H21 | 113.3° | 180.0° |
| O3 | S3 | O2 | O4 | 110.4° | 116.8° |
| O3 | S3 | C15 | H8 | 114.5° | 51.6° |
| O3 | S3 | C15 | H9 | 2.4° | 171.6° |
| O3 | S3 | O4 | H21 | 108.5° | 63.9° |
| O2 | S3 | C15 | H8 | 2.3° | 171.6° |
| O2 | S3 | C15 | H9 | 119.1° | 51.6° |
| O2 | S3 | O4 | H21 | 0.0° | 64.0° |
| O4 | S3 | C15 | H8 | 117.8° | 60.0° |
| O4 | S3 | C15 | H9 | 125.4° | 60.0° |
| H1 | C1 | C2 | H3 | 155.0° | 175.4° |
| H1 | C1 | C7 | H14 | 175.8° | 180.0° |
| H1 | C1 | C7 | H15 | 62.8° | 60.0° |
| H2 | C1 | C2 | H3 | 35.4° | 64.7° |
| H2 | C1 | C7 | H14 | 56.2° | 60.0° |
| H2 | C1 | C7 | H15 | 177.5° | 180.0° |
| H3 | C2 | C6 | H12 | 174.4° | 51.5° |
| H3 | C2 | C6 | H13 | 64.9° | 170.8° |
| H4 | C13 | C14 | H6 | 54.7° | 60.0° |
| H4 | C13 | C14 | H7 | 175.6° | 179.9° |
| H4 | C13 | N1 | H20 | 3.4° | 120.0° |
| H5 | C13 | C14 | H6 | 64.9° | 180.0° |
| H5 | C13 | C14 | H7 | 56.0° | 60.0° |
| H5 | C13 | N1 | H20 | 123.0° | 120.0° |
| H6 | C14 | C15 | H8 | 132.2° | 180.0° |
| H6 | C14 | C15 | H9 | 110.9° | 60.0° |
| H7 | C14 | C15 | H8 | 11.3° | 60.0° |
| H7 | C14 | C15 | H9 | 128.2° | 180.0° |
| H10 | C5 | C6 | H12 | 160.6° | 51.5° |
| H10 | C5 | C6 | H13 | 39.9° | 170.8° |
| H11 | C5 | C6 | H12 | 40.0° | 70.3° |
| H11 | C5 | C6 | H13 | 80.6° | 49.0° |
| H14 | C7 | C8 | H16 | 151.9° | 180.0° |
| H14 | C7 | C8 | H17 | 88.3° | 60.0° |
| H15 | C7 | C8 | H16 | 30.5° | 60.0° |
| H15 | C7 | C8 | H17 | 150.3° | 180.0° |
| H16 | C8 | C9 | H18 | 119.5° | 60.0° |
| H16 | C8 | C9 | H19 | 120.6° | 180.0° |
| H17 | C8 | C9 | H18 | 0.3° | 180.0° |
| H17 | C8 | C9 | H19 | 119.6° | 60.0° |
