L06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C1 | sing | 1.81Å | 1.81Å | |
| S | HS | sing | 1.34Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C2 | C10 | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | N6 | sing | 1.46Å | 1.42Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| N6 | C7 | sing | 1.37Å | 1.34Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C7 | N8 | doub | 1.30Å | 1.33Å | |
| C7 | N9 | sing | 1.38Å | 1.38Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| N9 | HN91 | sing | 0.97Å | 1.02Å | |
| N9 | HN92 | sing | 0.97Å | 1.02Å | |
| C10 | O11 | doub | 1.21Å | 1.28Å | |
| C10 | O12 | sing | 1.34Å | 1.26Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S | HS | 113.6° | 100.0° |
| S | C1 | C2 | 113.6° | 109.5° |
| S | C1 | H11 | 110.7° | 109.4° |
| S | C1 | H12A | 110.7° | 109.5° |
| C2 | C1 | H11 | 110.7° | 109.5° |
| C2 | C1 | H12A | 110.7° | 109.5° |
| C1 | C2 | C3 | 114.5° | 109.4° |
| C1 | C2 | C10 | 107.4° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| H11 | C1 | H12A | 99.6° | 109.4° |
| C3 | C2 | C10 | 112.6° | 109.5° |
| C3 | C2 | H2 | 102.9° | 109.4° |
| C2 | C3 | C4 | 114.1° | 109.4° |
| C2 | C3 | H31 | 110.5° | 109.5° |
| C2 | C3 | H32 | 110.6° | 109.5° |
| C10 | C2 | H2 | 110.7° | 109.5° |
| C2 | C10 | O11 | 122.4° | 120.0° |
| C2 | C10 | O12 | 118.9° | 120.0° |
| C4 | C3 | H31 | 110.5° | 109.4° |
| C4 | C3 | H32 | 110.5° | 109.5° |
| C3 | C4 | C5 | 115.0° | 109.4° |
| C3 | C4 | H41 | 110.2° | 109.5° |
| C3 | C4 | H42 | 110.2° | 109.5° |
| H31 | C3 | H32 | 99.8° | 109.6° |
| C5 | C4 | H41 | 110.2° | 109.4° |
| C5 | C4 | H42 | 110.2° | 109.5° |
| C4 | C5 | N6 | 110.0° | 109.5° |
| C4 | C5 | H51 | 112.0° | 109.5° |
| C4 | C5 | H52 | 112.0° | 109.4° |
| H41 | C4 | H42 | 100.0° | 109.5° |
| N6 | C5 | H51 | 112.0° | 109.5° |
| N6 | C5 | H52 | 112.0° | 109.5° |
| C5 | N6 | C7 | 125.3° | 120.0° |
| C5 | N6 | HN6 | 106.6° | 120.0° |
| H51 | C5 | H52 | 98.4° | 109.5° |
| C7 | N6 | HN6 | 106.6° | 120.0° |
| N6 | C7 | N8 | 117.1° | 120.1° |
| N6 | C7 | N9 | 121.4° | 120.0° |
| N8 | C7 | N9 | 121.3° | 120.0° |
| C7 | N8 | HN8 | 119.6° | 119.9° |
| C7 | N9 | HN91 | 121.3° | 120.0° |
| C7 | N9 | HN92 | 107.9° | 120.0° |
| HN91 | N9 | HN92 | 108.0° | 120.0° |
| O11 | C10 | O12 | 118.7° | 120.0° |
| C10 | O12 | H12 | 118.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C1 | C2 | H11 | 125.3° | 120.0° |
| S | C1 | C2 | H12A | 125.3° | 120.0° |
| S | C1 | H11 | H12A | 116.5° | 120.0° |
| S | C1 | C2 | C3 | 161.6° | 175.0° |
| S | C1 | C2 | C10 | 72.6° | 65.0° |
| S | C1 | C2 | H2 | 47.1° | 55.0° |
| HS | S | C1 | C2 | 180.0° | 180.0° |
| HS | S | C1 | H11 | 54.7° | 60.0° |
| HS | S | C1 | H12A | 54.7° | 60.0° |
| C2 | C1 | H11 | H12A | 116.6° | 120.0° |
| C1 | C2 | C3 | C10 | 123.1° | 120.0° |
| C1 | C2 | C3 | H2 | 117.7° | 120.0° |
| C1 | C2 | C10 | H2 | 118.4° | 120.1° |
| C1 | C2 | C3 | C4 | 41.0° | 175.0° |
| C1 | C2 | C3 | H31 | 84.3° | 55.1° |
| C1 | C2 | C3 | H32 | 166.2° | 65.0° |
| C1 | C2 | C10 | O11 | 53.7° | 120.0° |
| C1 | C2 | C10 | O12 | 123.6° | 60.1° |
| H11 | C1 | C2 | C3 | 73.2° | 55.0° |
| H11 | C1 | C2 | C10 | 52.7° | 175.0° |
| H11 | C1 | C2 | H2 | 172.4° | 64.9° |
| H12A | C1 | C2 | C3 | 36.3° | 65.0° |
| H12A | C1 | C2 | C10 | 162.1° | 55.0° |
| H12A | C1 | C2 | H2 | 78.1° | 175.1° |
| C3 | C2 | C10 | H2 | 114.6° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.4° | 120.0° |
| C2 | C3 | C4 | C5 | 178.3° | 180.0° |
| C2 | C3 | C4 | H41 | 53.0° | 60.0° |
| C2 | C3 | C4 | H42 | 56.5° | 60.0° |
| C3 | C2 | C10 | O11 | 73.3° | 0.0° |
| C3 | C2 | C10 | O12 | 109.5° | 180.0° |
| C10 | C2 | C3 | C4 | 82.1° | 65.0° |
| C10 | C2 | C3 | H31 | 152.6° | 175.0° |
| C10 | C2 | C3 | H32 | 43.1° | 55.0° |
| C2 | C10 | O11 | O12 | 177.2° | 179.9° |
| C2 | C10 | O12 | H12 | 180.0° | 179.9° |
| H2 | C2 | C3 | C4 | 158.7° | 55.0° |
| H2 | C2 | C3 | H31 | 33.4° | 65.0° |
| H2 | C2 | C3 | H32 | 76.1° | 175.0° |
| H2 | C2 | C10 | O11 | 172.1° | 119.9° |
| H2 | C2 | C10 | O12 | 5.1° | 60.0° |
| C4 | C3 | H31 | H32 | 116.3° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 119.9° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.0° | 120.0° |
| C3 | C4 | C5 | N6 | 112.7° | 180.0° |
| C3 | C4 | C5 | H51 | 122.0° | 60.0° |
| C3 | C4 | C5 | H52 | 12.5° | 60.0° |
| H31 | C3 | C4 | C5 | 56.5° | 60.1° |
| H31 | C3 | C4 | H41 | 178.2° | 180.0° |
| H31 | C3 | C4 | H42 | 68.8° | 60.0° |
| H32 | C3 | C4 | C5 | 53.0° | 60.0° |
| H32 | C3 | C4 | H41 | 72.3° | 59.9° |
| H32 | C3 | C4 | H42 | 178.2° | 180.0° |
| C5 | C4 | H41 | H42 | 116.0° | 120.0° |
| C4 | C5 | N6 | H51 | 125.2° | 120.0° |
| C4 | C5 | N6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 118.0° | 120.0° |
| C4 | C5 | N6 | C7 | 64.9° | 180.0° |
| C4 | C5 | N6 | HN6 | 169.8° | 0.1° |
| H41 | C4 | C5 | N6 | 12.6° | 60.0° |
| H41 | C4 | C5 | H51 | 112.7° | 180.0° |
| H41 | C4 | C5 | H52 | 137.8° | 60.0° |
| H42 | C4 | C5 | N6 | 122.0° | 60.0° |
| H42 | C4 | C5 | H51 | 3.3° | 60.0° |
| H42 | C4 | C5 | H52 | 112.8° | 180.0° |
| N6 | C5 | H51 | H52 | 117.9° | 120.1° |
| C5 | N6 | C7 | HN6 | 125.3° | 180.0° |
| C5 | N6 | C7 | N8 | 179.7° | 0.0° |
| C5 | N6 | C7 | N9 | 4.7° | 180.0° |
| H51 | C5 | N6 | C7 | 169.9° | 60.0° |
| H51 | C5 | N6 | HN6 | 44.6° | 120.0° |
| H52 | C5 | N6 | C7 | 60.4° | 60.0° |
| H52 | C5 | N6 | HN6 | 64.9° | 119.9° |
| N6 | C7 | N8 | N9 | 175.5° | 180.0° |
| N6 | C7 | N8 | HN8 | 68.6° | 0.1° |
| N6 | C7 | N9 | HN91 | 180.0° | 180.0° |
| N6 | C7 | N9 | HN92 | 54.7° | 0.2° |
| HN6 | N6 | C7 | N8 | 55.0° | 180.0° |
| HN6 | N6 | C7 | N9 | 120.5° | 0.1° |
| N8 | C7 | N9 | HN91 | 4.7° | 0.0° |
| N8 | C7 | N9 | HN92 | 129.9° | 179.8° |
| N9 | C7 | N8 | HN8 | 115.9° | 179.9° |
| C7 | N9 | HN91 | HN92 | 125.2° | 179.8° |
| O11 | C10 | O12 | H12 | 2.6° | 0.1° |
