VVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| C10 | C5 | sing | 1.55Å | 1.53Å | |
| C11 | O4 | sing | 1.43Å | 1.42Å | |
| C11 | C3 | sing | 1.55Å | 1.54Å | |
| O3 | C9 | doub | 1.22Å | 1.24Å | |
| O1 | C4 | sing | 1.43Å | 1.44Å | |
| C9 | N1 | sing | 1.34Å | 1.40Å | |
| C9 | N3 | sing | 1.33Å | 1.35Å | |
| N1 | C5 | sing | 1.46Å | 1.49Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| N3 | C8 | doub | 1.33Å | 1.35Å | |
| C5 | O2 | sing | 1.44Å | 1.42Å | |
| C8 | N2 | sing | 1.38Å | 1.34Å | |
| C8 | C7 | sing | 1.41Å | 1.42Å | |
| C6 | C7 | doub | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | sing | 1.44Å | 1.43Å | |
| C3 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | trip | 1.17Å | 1.18Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.05Å | 1.06Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C5 | 101.1° | 104.1° |
| C10 | C11 | O4 | 114.8° | 110.5° |
| C10 | C11 | C3 | 101.5° | 104.1° |
| C10 | C11 | H5 | 109.0° | 110.6° |
| C11 | C10 | H7 | 111.5° | 110.5° |
| C11 | C10 | H8 | 111.5° | 110.5° |
| C10 | C5 | N1 | 116.6° | 110.5° |
| C10 | C5 | O2 | 104.4° | 104.8° |
| C10 | C5 | H3 | 108.5° | 110.3° |
| C5 | C10 | H7 | 111.5° | 110.5° |
| C5 | C10 | H8 | 111.5° | 110.5° |
| O4 | C11 | C3 | 111.7° | 110.5° |
| O4 | C11 | H5 | 110.5° | 110.4° |
| C11 | O4 | H13 | 109.5° | 114.0° |
| C11 | C3 | C4 | 114.0° | 110.4° |
| C11 | C3 | O2 | 105.5° | 104.8° |
| C11 | C3 | C2 | 112.3° | 110.4° |
| C3 | C11 | H5 | 108.9° | 110.5° |
| O3 | C9 | N1 | 118.4° | 119.5° |
| O3 | C9 | N3 | 122.4° | 119.4° |
| O1 | C4 | C3 | 115.7° | 109.5° |
| O1 | C4 | H1 | 107.9° | 109.4° |
| O1 | C4 | H2 | 107.9° | 109.5° |
| C4 | O1 | H12 | 109.5° | 114.0° |
| N1 | C9 | N3 | 119.2° | 121.1° |
| C9 | N1 | C5 | 119.2° | 119.9° |
| C9 | N1 | C6 | 119.8° | 120.4° |
| C9 | N3 | C8 | 120.6° | 120.7° |
| C5 | N1 | C6 | 120.9° | 119.8° |
| N1 | C5 | O2 | 108.0° | 110.4° |
| N1 | C5 | H3 | 109.1° | 110.4° |
| N1 | C6 | C7 | 122.0° | 119.2° |
| N1 | C6 | H4 | 119.0° | 120.4° |
| N3 | C8 | N2 | 118.7° | 120.2° |
| N3 | C8 | C7 | 121.0° | 119.6° |
| C5 | O2 | C3 | 111.3° | 105.3° |
| O2 | C5 | H3 | 110.0° | 110.4° |
| N2 | C8 | C7 | 120.2° | 120.2° |
| C8 | N2 | H9 | 120.0° | 120.0° |
| C8 | N2 | H10 | 120.0° | 120.0° |
| C8 | C7 | C6 | 117.4° | 119.0° |
| C8 | C7 | H6 | 121.3° | 120.5° |
| C7 | C6 | H4 | 119.0° | 120.4° |
| C6 | C7 | H6 | 121.3° | 120.5° |
| C4 | C3 | O2 | 109.0° | 110.4° |
| C4 | C3 | C2 | 108.4° | 110.4° |
| C3 | C4 | H1 | 107.9° | 109.4° |
| C3 | C4 | H2 | 107.9° | 109.5° |
| O2 | C3 | C2 | 107.3° | 110.5° |
| C3 | C2 | C1 | 174.7° | 180.0° |
| C2 | C1 | H11 | 180.0° | 179.9° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 110.6° |
| H9 | N2 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C5 | H7 | 118.7° | 118.7° |
| C11 | C10 | C5 | H8 | 118.6° | 118.7° |
| C10 | C11 | O4 | C3 | 114.8° | 114.7° |
| C10 | C11 | O4 | H5 | 123.8° | 122.7° |
| C10 | C11 | C3 | H5 | 114.9° | 118.8° |
| C11 | C10 | C5 | N1 | 155.7° | 142.8° |
| C11 | C10 | C5 | O2 | 36.7° | 24.0° |
| C10 | C11 | C3 | C4 | 92.0° | 142.8° |
| C10 | C11 | C3 | O2 | 27.6° | 24.0° |
| C10 | C11 | C3 | C2 | 144.2° | 95.0° |
| C11 | C10 | C5 | H3 | 80.6° | 94.8° |
| C11 | C10 | H7 | H8 | 123.9° | 122.7° |
| C10 | C11 | O4 | H13 | 180.0° | 65.3° |
| C5 | C10 | C11 | O4 | 82.2° | 118.7° |
| C5 | C10 | C11 | C3 | 38.4° | 0.0° |
| C10 | C5 | N1 | C9 | 117.0° | 61.9° |
| C10 | C5 | N1 | O2 | 117.1° | 115.4° |
| C10 | C5 | N1 | H3 | 123.3° | 122.3° |
| C10 | C5 | N1 | C6 | 66.4° | 118.7° |
| C10 | C5 | O2 | H3 | 116.3° | 118.8° |
| C10 | C5 | O2 | C3 | 20.3° | 40.6° |
| C5 | C10 | C11 | H5 | 153.2° | 118.7° |
| C5 | C10 | H7 | H8 | 123.9° | 122.6° |
| O4 | C11 | C3 | H5 | 122.3° | 122.6° |
| O4 | C11 | C3 | C4 | 145.2° | 98.6° |
| O4 | C11 | C3 | O2 | 95.2° | 142.6° |
| O4 | C11 | C3 | C2 | 21.4° | 23.7° |
| O4 | C11 | C10 | H7 | 159.2° | 0.0° |
| O4 | C11 | C10 | H8 | 36.5° | 122.7° |
| C11 | C3 | C4 | O1 | 54.6° | 175.0° |
| C11 | C3 | O2 | C5 | 4.8° | 40.6° |
| C11 | C3 | C4 | O2 | 117.6° | 115.3° |
| C11 | C3 | C4 | C2 | 125.9° | 122.3° |
| C11 | C3 | O2 | C2 | 119.9° | 118.9° |
| C11 | C3 | C2 | C1 | 167.5° | 55.2° |
| C11 | C3 | C4 | H1 | 66.3° | 55.0° |
| C11 | C3 | C4 | H2 | 175.5° | 65.0° |
| C3 | C11 | C10 | H7 | 80.2° | 118.6° |
| C3 | C11 | C10 | H8 | 157.1° | 118.6° |
| C3 | C11 | O4 | H13 | 65.2° | 180.0° |
| O3 | C9 | N1 | N3 | 178.8° | 180.0° |
| O3 | C9 | N1 | C5 | 3.1° | 0.0° |
| O3 | C9 | N1 | C6 | 179.8° | 179.5° |
| O3 | C9 | N3 | C8 | 178.5° | 179.1° |
| O1 | C4 | C3 | H1 | 120.9° | 120.0° |
| O1 | C4 | C3 | H2 | 120.9° | 120.0° |
| O1 | C4 | C3 | O2 | 63.0° | 69.7° |
| O1 | C4 | C3 | C2 | 179.5° | 52.7° |
| O1 | C4 | H1 | H2 | 117.2° | 120.0° |
| C9 | N1 | C5 | C6 | 176.7° | 179.4° |
| N1 | C9 | N3 | C8 | 0.2° | 0.9° |
| C9 | N1 | C5 | O2 | 125.9° | 53.5° |
| C9 | N1 | C6 | C7 | 0.7° | 0.0° |
| C9 | N1 | C5 | H3 | 6.4° | 175.8° |
| C9 | N1 | C6 | H4 | 179.3° | 179.7° |
| N3 | C9 | N1 | C5 | 178.1° | 180.0° |
| N3 | C9 | N1 | C6 | 1.4° | 0.6° |
| C9 | N3 | C8 | N2 | 178.5° | 179.4° |
| C9 | N3 | C8 | C7 | 2.4° | 0.6° |
| N1 | C5 | O2 | H3 | 119.0° | 122.3° |
| C5 | N1 | C6 | C7 | 177.3° | 179.4° |
| N1 | C5 | O2 | C3 | 145.0° | 159.5° |
| C5 | N1 | C6 | H4 | 2.6° | 0.3° |
| N1 | C5 | C10 | H7 | 37.1° | 98.5° |
| N1 | C5 | C10 | H8 | 85.6° | 24.2° |
| C6 | N1 | C5 | O2 | 50.7° | 125.9° |
| N1 | C6 | C7 | C8 | 1.5° | 0.3° |
| N1 | C6 | C7 | H4 | 180.0° | 179.7° |
| C6 | N1 | C5 | H3 | 170.3° | 3.6° |
| N1 | C6 | C7 | H6 | 178.5° | 179.7° |
| N3 | C8 | N2 | C7 | 176.1° | 180.0° |
| N3 | C8 | C7 | C6 | 3.1° | 0.0° |
| N3 | C8 | C7 | H6 | 176.9° | 180.0° |
| N3 | C8 | N2 | H9 | 0.0° | 180.0° |
| N3 | C8 | N2 | H10 | 180.0° | 0.1° |
| C5 | O2 | C3 | C4 | 118.0° | 159.4° |
| C5 | O2 | C3 | C2 | 124.7° | 78.3° |
| O2 | C5 | C10 | H7 | 81.9° | 142.7° |
| O2 | C5 | C10 | H8 | 155.4° | 94.7° |
| N2 | C8 | C7 | C6 | 179.1° | 180.0° |
| N2 | C8 | C7 | H6 | 0.9° | 0.0° |
| C8 | N2 | H9 | H10 | 180.0° | 179.9° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 178.6° | 180.0° |
| C7 | C8 | N2 | H9 | 176.1° | 0.0° |
| C7 | C8 | N2 | H10 | 3.9° | 179.9° |
| C4 | C3 | O2 | C2 | 117.3° | 122.3° |
| C4 | C3 | C2 | C1 | 65.6° | 67.1° |
| C3 | C4 | H1 | H2 | 117.2° | 120.0° |
| C4 | C3 | C11 | H5 | 22.9° | 24.0° |
| C3 | C4 | O1 | H12 | 180.0° | 180.0° |
| O2 | C3 | C2 | C1 | 52.0° | 170.6° |
| O2 | C3 | C4 | H1 | 176.2° | 170.4° |
| O2 | C3 | C4 | H2 | 57.9° | 50.3° |
| C3 | O2 | C5 | H3 | 96.0° | 78.2° |
| O2 | C3 | C11 | H5 | 142.5° | 94.8° |
| C2 | C3 | C4 | H1 | 59.6° | 67.2° |
| C2 | C3 | C4 | H2 | 58.6° | 172.7° |
| C2 | C3 | C11 | H5 | 100.9° | 146.3° |
| C3 | C2 | C1 | H11 | 3.9° | 168.1° |
| H1 | C4 | O1 | H12 | 59.1° | 60.1° |
| H2 | C4 | O1 | H12 | 59.1° | 60.0° |
| H3 | C5 | C10 | H7 | 160.7° | 23.8° |
| H3 | C5 | C10 | H8 | 38.0° | 146.5° |
| H4 | C6 | C7 | H6 | 1.4° | 0.0° |
| H5 | C11 | C10 | H7 | 34.6° | 122.7° |
| H5 | C11 | C10 | H8 | 88.1° | 0.1° |
| H5 | C11 | O4 | H13 | 56.2° | 57.4° |
