V6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | N2 | sing | 1.28Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | O1 | doub | 1.22Å | 1.23Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C6 | C10 | sing | 1.54Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N2 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 121.1° | 126.1° |
| C1 | C2 | C3 | 128.5° | 126.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| N3 | C2 | C3 | 110.5° | 107.9° |
| C2 | N3 | N2 | 105.6° | 110.9° |
| C2 | C3 | C4 | 105.9° | 105.4° |
| C2 | C3 | H4 | 127.0° | 127.4° |
| N3 | N2 | C4 | 111.8° | 109.6° |
| N3 | N2 | H15 | 124.1° | 125.1° |
| C3 | C4 | N2 | 106.2° | 106.2° |
| C3 | C4 | C5 | 131.9° | 126.9° |
| C4 | C3 | H4 | 127.0° | 127.3° |
| N2 | C4 | C5 | 121.9° | 126.9° |
| C4 | N2 | H15 | 124.1° | 125.2° |
| C4 | C5 | O1 | 120.6° | 120.0° |
| C4 | C5 | N1 | 116.0° | 120.0° |
| O1 | C5 | N1 | 123.5° | 120.0° |
| C5 | N1 | C6 | 125.2° | 120.0° |
| C5 | N1 | H5 | 117.4° | 120.0° |
| N1 | C6 | C7 | 113.1° | 110.1° |
| N1 | C6 | C10 | 116.1° | 110.1° |
| C6 | N1 | H5 | 117.4° | 120.0° |
| N1 | C6 | H6 | 109.0° | 110.0° |
| C7 | C6 | C10 | 101.6° | 106.6° |
| C6 | C7 | C8 | 103.3° | 106.6° |
| C7 | C6 | H6 | 108.2° | 110.0° |
| C6 | C7 | H7 | 111.0° | 110.1° |
| C6 | C7 | H8 | 111.0° | 110.0° |
| C6 | C10 | C9 | 102.4° | 104.2° |
| C10 | C6 | H6 | 108.4° | 110.1° |
| C6 | C10 | H13 | 111.2° | 110.5° |
| C6 | C10 | H14 | 111.2° | 110.5° |
| C7 | C8 | C9 | 105.5° | 104.2° |
| C8 | C7 | H7 | 111.0° | 110.0° |
| C8 | C7 | H8 | 111.0° | 110.0° |
| C7 | C8 | H9 | 110.4° | 110.5° |
| C7 | C8 | H10 | 110.5° | 110.5° |
| C10 | C9 | C8 | 105.9° | 102.7° |
| C10 | C9 | H11 | 110.3° | 110.7° |
| C10 | C9 | H12 | 110.4° | 110.9° |
| C9 | C10 | H13 | 111.2° | 110.5° |
| C9 | C10 | H14 | 111.2° | 110.5° |
| C9 | C8 | H9 | 110.5° | 110.5° |
| C9 | C8 | H10 | 110.4° | 110.5° |
| C8 | C9 | H11 | 110.4° | 110.8° |
| C8 | C9 | H12 | 110.3° | 110.8° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 110.0° |
| H9 | C8 | H10 | 109.5° | 110.5° |
| H11 | C9 | H12 | 109.5° | 110.7° |
| H13 | C10 | H14 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | C3 | 179.5° | 179.8° |
| C1 | C2 | N3 | N2 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.3° | 0.1° |
| N3 | C2 | C3 | C4 | 0.2° | 0.3° |
| C2 | N3 | N2 | C4 | 0.4° | 0.4° |
| N3 | C2 | C1 | H1 | 0.0° | 90.0° |
| N3 | C2 | C1 | H2 | 120.0° | 150.0° |
| N3 | C2 | C1 | H3 | 120.0° | 30.0° |
| N3 | C2 | C3 | H4 | 179.8° | 179.8° |
| C2 | N3 | N2 | H15 | 179.6° | 179.8° |
| C3 | C2 | N3 | N2 | 0.4° | 0.4° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | N2 | 0.0° | 0.0° |
| C2 | C3 | C4 | C5 | 178.3° | 180.0° |
| C3 | C2 | C1 | H1 | 179.4° | 89.7° |
| C3 | C2 | C1 | H2 | 60.6° | 30.3° |
| C3 | C2 | C1 | H3 | 59.4° | 150.3° |
| N3 | N2 | C4 | C3 | 0.3° | 0.2° |
| N3 | N2 | C4 | H15 | 180.0° | 179.8° |
| N3 | N2 | C4 | C5 | 178.7° | 179.7° |
| C3 | C4 | N2 | C5 | 178.5° | 180.0° |
| C3 | C4 | C5 | O1 | 10.5° | 0.0° |
| C3 | C4 | C5 | N1 | 170.1° | 180.0° |
| C3 | C4 | N2 | H15 | 179.7° | 180.0° |
| N2 | C4 | C5 | O1 | 167.5° | 180.0° |
| N2 | C4 | C5 | N1 | 11.9° | 0.0° |
| N2 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C5 | O1 | N1 | 179.4° | 180.0° |
| C4 | C5 | N1 | C6 | 133.3° | 180.0° |
| C5 | C4 | C3 | H4 | 1.8° | 0.1° |
| C4 | C5 | N1 | H5 | 46.6° | 0.0° |
| C5 | C4 | N2 | H15 | 1.3° | 0.0° |
| O1 | C5 | N1 | C6 | 46.1° | 0.0° |
| O1 | C5 | N1 | H5 | 134.0° | 180.0° |
| C5 | N1 | C6 | H5 | 180.0° | 180.0° |
| C5 | N1 | C6 | C7 | 156.4° | 155.0° |
| C5 | N1 | C6 | C10 | 39.5° | 87.8° |
| C5 | N1 | C6 | H6 | 83.3° | 33.6° |
| N1 | C6 | C7 | C10 | 125.2° | 119.3° |
| N1 | C6 | C7 | H6 | 120.9° | 121.4° |
| N1 | C6 | C10 | H6 | 123.1° | 121.4° |
| N1 | C6 | C7 | C8 | 167.9° | 119.3° |
| N1 | C6 | C10 | C9 | 168.2° | 142.9° |
| N1 | C6 | C7 | H7 | 73.1° | 121.4° |
| N1 | C6 | C7 | H8 | 48.9° | 0.0° |
| N1 | C6 | C10 | H13 | 49.3° | 24.2° |
| N1 | C6 | C10 | H14 | 72.9° | 98.4° |
| C7 | C6 | C10 | H6 | 113.8° | 119.2° |
| C6 | C7 | C8 | H7 | 119.0° | 119.4° |
| C6 | C7 | C8 | H8 | 119.0° | 119.3° |
| C7 | C6 | C10 | C9 | 45.1° | 23.6° |
| C6 | C7 | C8 | C9 | 23.7° | 23.7° |
| C7 | C6 | N1 | H5 | 23.7° | 25.0° |
| C6 | C7 | H7 | H8 | 122.8° | 121.4° |
| C6 | C7 | C8 | H9 | 95.7° | 142.4° |
| C6 | C7 | C8 | H10 | 143.0° | 95.0° |
| C7 | C6 | C10 | H13 | 73.8° | 95.1° |
| C7 | C6 | C10 | H14 | 163.9° | 142.2° |
| C10 | C6 | C7 | C8 | 42.7° | 0.1° |
| C6 | C10 | C9 | H13 | 118.9° | 118.7° |
| C6 | C10 | C9 | H14 | 118.8° | 118.7° |
| C6 | C10 | C9 | C8 | 30.5° | 37.9° |
| C10 | C6 | N1 | H5 | 140.6° | 92.2° |
| C10 | C6 | C7 | H7 | 161.7° | 119.2° |
| C10 | C6 | C7 | H8 | 76.3° | 119.3° |
| C6 | C10 | C9 | H11 | 150.0° | 80.4° |
| C6 | C10 | C9 | H12 | 88.9° | 156.3° |
| C6 | C10 | H13 | H14 | 123.3° | 122.7° |
| C7 | C8 | C9 | C10 | 4.1° | 38.0° |
| C7 | C8 | C9 | H9 | 119.4° | 118.7° |
| C7 | C8 | C9 | H10 | 119.4° | 118.7° |
| C8 | C7 | C6 | H6 | 71.2° | 119.3° |
| C8 | C7 | H7 | H8 | 122.9° | 121.4° |
| C7 | C8 | H9 | H10 | 121.8° | 122.6° |
| C7 | C8 | C9 | H11 | 123.5° | 80.3° |
| C7 | C8 | C9 | H12 | 115.4° | 156.4° |
| C10 | C9 | C8 | H11 | 119.4° | 118.3° |
| C10 | C9 | C8 | H12 | 119.4° | 118.5° |
| C9 | C10 | C6 | H6 | 68.7° | 95.7° |
| C10 | C9 | C8 | H9 | 123.4° | 156.6° |
| C10 | C9 | C8 | H10 | 115.3° | 80.8° |
| C10 | C9 | H11 | H12 | 121.7° | 123.4° |
| C9 | C10 | H13 | H14 | 123.3° | 122.6° |
| C9 | C8 | C7 | H7 | 142.7° | 95.7° |
| C9 | C8 | C7 | H8 | 95.4° | 142.9° |
| C9 | C8 | H9 | H10 | 121.8° | 122.6° |
| C8 | C9 | H11 | H12 | 121.7° | 123.3° |
| C8 | C9 | C10 | H13 | 88.3° | 80.7° |
| C8 | C9 | C10 | H14 | 149.4° | 156.6° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | N1 | C6 | H6 | 96.7° | 146.4° |
| H6 | C6 | C7 | H7 | 47.8° | 0.0° |
| H6 | C6 | C7 | H8 | 169.7° | 121.4° |
| H6 | C6 | C10 | H13 | 172.4° | 145.6° |
| H6 | C6 | C10 | H14 | 50.1° | 23.0° |
| H7 | C7 | C8 | H9 | 23.3° | 23.0° |
| H7 | C7 | C8 | H10 | 98.0° | 145.6° |
| H8 | C7 | C8 | H9 | 145.3° | 98.4° |
| H8 | C7 | C8 | H10 | 24.0° | 24.2° |
| H9 | C8 | C9 | H11 | 117.1° | 38.3° |
| H9 | C8 | C9 | H12 | 4.0° | 84.9° |
| H10 | C8 | C9 | H11 | 4.1° | 160.9° |
| H10 | C8 | C9 | H12 | 125.2° | 37.7° |
| H11 | C9 | C10 | H13 | 31.1° | 160.9° |
| H11 | C9 | C10 | H14 | 91.2° | 38.3° |
| H12 | C9 | C10 | H13 | 152.2° | 37.6° |
| H12 | C9 | C10 | H14 | 29.9° | 85.0° |
