4V6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C6 | sing | 1.74Å | 1.72Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.41Å | |
| C2 | S1 | sing | 1.77Å | 1.79Å | |
| N2 | C7 | sing | 1.46Å | 1.47Å | |
| C10 | N1 | sing | 1.46Å | 1.48Å | |
| O1 | S1 | doub | 1.42Å | 1.47Å | |
| C7 | N1 | sing | 1.48Å | 1.47Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| S1 | N1 | sing | 1.67Å | 1.72Å | |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C6 | C5 | 120.9° | 120.2° |
| CL1 | C6 | C1 | 118.7° | 120.2° |
| C6 | C5 | C4 | 120.0° | 120.4° |
| C5 | C6 | C1 | 120.4° | 119.6° |
| C6 | C5 | H3 | 120.0° | 119.8° |
| C5 | C4 | C3 | 120.7° | 120.5° |
| C5 | C4 | H2 | 119.7° | 119.7° |
| C4 | C5 | H3 | 120.0° | 119.8° |
| C6 | C1 | C2 | 119.5° | 120.1° |
| C6 | C1 | H1 | 120.3° | 120.0° |
| C4 | C3 | C2 | 117.9° | 118.5° |
| C4 | C3 | N2 | 120.2° | 117.5° |
| C3 | C4 | H2 | 119.7° | 119.8° |
| C8 | N2 | C3 | 117.4° | 111.0° |
| C8 | N2 | C7 | 122.9° | 111.0° |
| N2 | C8 | H5 | 109.5° | 109.4° |
| N2 | C8 | H6 | 109.5° | 109.5° |
| N2 | C8 | H7 | 109.5° | 109.5° |
| C1 | C2 | C3 | 121.6° | 120.9° |
| C1 | C2 | S1 | 117.4° | 119.4° |
| C2 | C1 | H1 | 120.2° | 119.9° |
| C2 | C3 | N2 | 121.9° | 124.0° |
| C3 | C2 | S1 | 121.1° | 119.6° |
| C3 | N2 | C7 | 117.6° | 117.1° |
| C2 | S1 | O1 | 110.4° | 106.9° |
| C2 | S1 | N1 | 100.9° | 103.9° |
| C2 | S1 | O2 | 108.9° | 106.9° |
| N2 | C7 | N1 | 107.5° | 109.3° |
| N2 | C7 | C9 | 115.7° | 109.5° |
| N2 | C7 | H4 | 106.5° | 109.5° |
| C10 | N1 | C7 | 117.2° | 122.7° |
| C10 | N1 | S1 | 117.3° | 122.7° |
| N1 | C10 | H11 | 109.5° | 109.5° |
| N1 | C10 | H12 | 109.4° | 109.5° |
| N1 | C10 | H13 | 109.5° | 109.5° |
| O1 | S1 | N1 | 107.1° | 106.9° |
| O1 | S1 | O2 | 120.1° | 123.7° |
| N1 | C7 | C9 | 114.3° | 109.5° |
| C7 | N1 | S1 | 111.9° | 114.6° |
| N1 | C7 | H4 | 106.6° | 109.5° |
| C9 | C7 | H4 | 105.7° | 109.4° |
| C7 | C9 | H8 | 109.5° | 109.4° |
| C7 | C9 | H9 | 109.5° | 109.5° |
| C7 | C9 | H10 | 109.5° | 109.4° |
| N1 | S1 | O2 | 107.6° | 106.9° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H11 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C6 | C5 | C1 | 179.8° | 179.6° |
| CL1 | C6 | C5 | C4 | 179.6° | 179.4° |
| CL1 | C6 | C1 | C2 | 180.0° | 179.5° |
| CL1 | C6 | C1 | H1 | 0.0° | 0.3° |
| CL1 | C6 | C5 | H3 | 0.4° | 0.1° |
| C6 | C5 | C4 | H3 | 180.0° | 179.5° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.9° |
| C5 | C6 | C1 | H1 | 179.8° | 179.3° |
| C6 | C5 | C4 | H2 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 1.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 1.1° |
| C5 | C4 | C3 | N2 | 179.7° | 177.9° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.4° | 0.2° |
| C6 | C1 | C2 | S1 | 179.7° | 179.1° |
| C1 | C6 | C5 | H3 | 179.8° | 179.5° |
| C4 | C3 | N2 | C8 | 7.3° | 79.1° |
| C4 | C3 | C2 | C1 | 0.2° | 1.2° |
| C4 | C3 | C2 | N2 | 179.8° | 178.9° |
| C4 | C3 | C2 | S1 | 179.8° | 178.1° |
| C4 | C3 | N2 | C7 | 156.8° | 152.0° |
| C3 | C4 | C5 | H3 | 179.7° | 179.5° |
| C8 | N2 | C3 | C2 | 172.5° | 99.8° |
| C8 | N2 | C3 | C7 | 164.0° | 128.9° |
| C8 | N2 | C7 | N1 | 136.8° | 69.7° |
| C8 | N2 | C7 | C9 | 7.7° | 170.3° |
| C8 | N2 | C7 | H4 | 109.3° | 50.2° |
| N2 | C8 | H5 | H6 | 120.0° | 120.0° |
| N2 | C8 | H5 | H7 | 120.0° | 120.0° |
| N2 | C8 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | S1 | 179.9° | 179.3° |
| C1 | C2 | C3 | N2 | 179.9° | 177.8° |
| C1 | C2 | S1 | O1 | 56.3° | 73.0° |
| C1 | C2 | S1 | N1 | 169.4° | 174.1° |
| C1 | C2 | S1 | O2 | 77.6° | 61.3° |
| C2 | C3 | N2 | C7 | 23.4° | 29.0° |
| C3 | C2 | S1 | O1 | 123.7° | 106.3° |
| C3 | C2 | S1 | N1 | 10.7° | 6.6° |
| C3 | C2 | S1 | O2 | 102.3° | 119.4° |
| C3 | C2 | C1 | H1 | 179.6° | 179.6° |
| C2 | C3 | C4 | H2 | 179.9° | 178.9° |
| N2 | C3 | C2 | S1 | 0.0° | 3.0° |
| C3 | N2 | C7 | N1 | 60.2° | 59.1° |
| C3 | N2 | C7 | C9 | 170.8° | 60.9° |
| N2 | C3 | C4 | H2 | 0.3° | 2.1° |
| C3 | N2 | C7 | H4 | 53.7° | 179.1° |
| C3 | N2 | C8 | H5 | 180.0° | 56.0° |
| C3 | N2 | C8 | H6 | 60.0° | 176.0° |
| C3 | N2 | C8 | H7 | 60.0° | 63.9° |
| C2 | S1 | N1 | C10 | 93.6° | 143.6° |
| C2 | S1 | O1 | N1 | 109.0° | 110.8° |
| C2 | S1 | O1 | O2 | 128.0° | 124.6° |
| C2 | S1 | N1 | C7 | 46.0° | 36.4° |
| C2 | S1 | N1 | O2 | 114.0° | 112.9° |
| S1 | C2 | C1 | H1 | 0.3° | 1.1° |
| N2 | C7 | N1 | C10 | 67.2° | 116.7° |
| N2 | C7 | N1 | C9 | 129.8° | 120.0° |
| N2 | C7 | N1 | H4 | 113.8° | 120.0° |
| N2 | C7 | C9 | H4 | 117.5° | 120.1° |
| N2 | C7 | N1 | S1 | 72.5° | 63.3° |
| C7 | N2 | C8 | H5 | 16.9° | 171.9° |
| C7 | N2 | C8 | H6 | 103.1° | 51.9° |
| C7 | N2 | C8 | H7 | 136.9° | 68.1° |
| N2 | C7 | C9 | H8 | 180.0° | 179.9° |
| N2 | C7 | C9 | H9 | 60.0° | 60.2° |
| N2 | C7 | C9 | H10 | 60.0° | 59.9° |
| C10 | N1 | S1 | O1 | 22.0° | 103.5° |
| C10 | N1 | C7 | S1 | 139.6° | 180.0° |
| C10 | N1 | C7 | C9 | 62.7° | 123.4° |
| C10 | N1 | S1 | O2 | 152.4° | 30.7° |
| C10 | N1 | C7 | H4 | 179.0° | 3.4° |
| N1 | C10 | H11 | H12 | 120.0° | 120.0° |
| N1 | C10 | H11 | H13 | 120.0° | 120.0° |
| N1 | C10 | H12 | H13 | 120.0° | 120.0° |
| O1 | S1 | N1 | C7 | 161.6° | 76.5° |
| O1 | S1 | N1 | O2 | 130.5° | 134.3° |
| N1 | C7 | C9 | H4 | 116.8° | 120.0° |
| C7 | N1 | S1 | O2 | 68.0° | 149.3° |
| N1 | C7 | C9 | H8 | 54.3° | 60.0° |
| N1 | C7 | C9 | H9 | 174.4° | 179.9° |
| N1 | C7 | C9 | H10 | 65.7° | 60.0° |
| C7 | N1 | C10 | H11 | 137.4° | 180.0° |
| C7 | N1 | C10 | H12 | 102.5° | 60.0° |
| C7 | N1 | C10 | H13 | 17.4° | 60.0° |
| C9 | C7 | N1 | S1 | 157.7° | 56.6° |
| C7 | C9 | H8 | H9 | 120.0° | 120.0° |
| C7 | C9 | H8 | H10 | 120.0° | 119.9° |
| C7 | C9 | H9 | H10 | 120.0° | 120.0° |
| S1 | N1 | C7 | H4 | 41.4° | 176.6° |
| S1 | N1 | C10 | H11 | 0.0° | 0.0° |
| S1 | N1 | C10 | H12 | 120.0° | 120.0° |
| S1 | N1 | C10 | H13 | 120.0° | 120.0° |
| H2 | C4 | C5 | H3 | 0.3° | 0.5° |
| H4 | C7 | C9 | H8 | 62.5° | 60.1° |
| H4 | C7 | C9 | H9 | 57.5° | 59.9° |
| H4 | C7 | C9 | H10 | 177.5° | 180.0° |
| H5 | C8 | H6 | H7 | 119.9° | 120.0° |
| H8 | C9 | H9 | H10 | 120.0° | 120.0° |
| H11 | C10 | H12 | H13 | 120.0° | 120.0° |
