CVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.47Å | 1.49Å | |
| C02 | C03 | sing | 1.53Å | 1.57Å | |
| C03 | C04 | sing | 1.51Å | 1.50Å | |
| C05 | C04 | doub | 1.34Å | 1.44Å | Aromatic |
| C05 | N06 | sing | 1.37Å | 1.38Å | Aromatic |
| C04 | C12 | sing | 1.46Å | 1.42Å | Aromatic |
| N06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C07 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.44Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.36Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.46Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N01 | H12 | sing | 1.01Å | 1.00Å | |
| N01 | H13 | sing | 1.01Å | 1.00Å | |
| N06 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 116.3° | 109.5° |
| N01 | C02 | H4 | 107.8° | 109.5° |
| N01 | C02 | H5 | 107.7° | 109.5° |
| C02 | N01 | H12 | 109.5° | 111.0° |
| C02 | N01 | H13 | 109.5° | 111.0° |
| C02 | C03 | C04 | 111.5° | 109.5° |
| C03 | C02 | H4 | 107.7° | 109.4° |
| C03 | C02 | H5 | 107.7° | 109.5° |
| C02 | C03 | H6 | 108.9° | 109.5° |
| C02 | C03 | H7 | 108.9° | 109.4° |
| C03 | C04 | C05 | 126.4° | 126.5° |
| C03 | C04 | C12 | 128.3° | 126.5° |
| C04 | C03 | H6 | 109.0° | 109.5° |
| C04 | C03 | H7 | 109.0° | 109.5° |
| C04 | C05 | N06 | 111.8° | 109.9° |
| C05 | C04 | C12 | 105.3° | 107.0° |
| C04 | C05 | H8 | 124.1° | 125.0° |
| C05 | N06 | C07 | 105.7° | 109.9° |
| N06 | C05 | H8 | 124.1° | 125.0° |
| C05 | N06 | H15 | 127.1° | 125.1° |
| C04 | C12 | C07 | 107.1° | 106.1° |
| C04 | C12 | C11 | 134.9° | 134.0° |
| N06 | C07 | C12 | 110.1° | 107.1° |
| N06 | C07 | C08 | 128.0° | 133.5° |
| C07 | N06 | H15 | 127.2° | 125.0° |
| C07 | C12 | C11 | 118.0° | 119.9° |
| C12 | C07 | C08 | 121.9° | 119.3° |
| C12 | C11 | C10 | 119.8° | 119.8° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C07 | C08 | C09 | 118.3° | 119.8° |
| C07 | C08 | H9 | 120.9° | 120.1° |
| C11 | C10 | C09 | 121.0° | 120.5° |
| C11 | C10 | C13 | 118.9° | 119.8° |
| C10 | C11 | H11 | 120.1° | 120.1° |
| C08 | C09 | C10 | 121.1° | 120.7° |
| C09 | C08 | H9 | 120.9° | 120.1° |
| C08 | C09 | H10 | 119.4° | 119.7° |
| C09 | C10 | C13 | 120.1° | 119.8° |
| C10 | C09 | H10 | 119.5° | 119.6° |
| C10 | C13 | H1 | 109.5° | 109.5° |
| C10 | C13 | H2 | 109.5° | 109.4° |
| C10 | C13 | H3 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H12 | N01 | H13 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H4 | 121.0° | 120.0° |
| N01 | C02 | C03 | H5 | 121.0° | 120.1° |
| N01 | C02 | C03 | C04 | 156.6° | 180.0° |
| N01 | C02 | H4 | H5 | 116.9° | 120.0° |
| N01 | C02 | C03 | H6 | 36.4° | 60.0° |
| N01 | C02 | C03 | H7 | 83.1° | 60.0° |
| C02 | N01 | H12 | H13 | 120.0° | 123.9° |
| C02 | C03 | C04 | H6 | 120.3° | 120.0° |
| C02 | C03 | C04 | H7 | 120.3° | 120.0° |
| C02 | C03 | C04 | C05 | 100.9° | 94.9° |
| C02 | C03 | C04 | C12 | 75.7° | 85.0° |
| C03 | C02 | H4 | H5 | 116.9° | 120.0° |
| C02 | C03 | H6 | H7 | 119.1° | 120.0° |
| C03 | C02 | N01 | H12 | 180.0° | 56.0° |
| C03 | C02 | N01 | H13 | 60.0° | 179.9° |
| C03 | C04 | C05 | C12 | 177.3° | 179.9° |
| C03 | C04 | C05 | N06 | 177.7° | 180.0° |
| C03 | C04 | C12 | C07 | 177.5° | 180.0° |
| C03 | C04 | C12 | C11 | 2.0° | 0.1° |
| C04 | C03 | C02 | H4 | 82.3° | 60.0° |
| C04 | C03 | C02 | H5 | 35.7° | 59.9° |
| C04 | C03 | H6 | H7 | 119.1° | 120.0° |
| C03 | C04 | C05 | H8 | 2.4° | 0.1° |
| C04 | C05 | N06 | H8 | 180.0° | 180.0° |
| C04 | C05 | N06 | C07 | 0.3° | 0.0° |
| C05 | C04 | C12 | C07 | 0.4° | 0.0° |
| C05 | C04 | C12 | C11 | 179.2° | 179.9° |
| C05 | C04 | C03 | H6 | 138.8° | 145.1° |
| C05 | C04 | C03 | H7 | 19.4° | 25.0° |
| C04 | C05 | N06 | H15 | 179.7° | 180.0° |
| N06 | C05 | C04 | C12 | 0.4° | 0.0° |
| C05 | N06 | C07 | H15 | 180.0° | 180.0° |
| C05 | N06 | C07 | C12 | 0.0° | 0.0° |
| C05 | N06 | C07 | C08 | 179.3° | 179.7° |
| C04 | C12 | C07 | N06 | 0.2° | 0.0° |
| C04 | C12 | C07 | C11 | 179.6° | 179.9° |
| C04 | C12 | C07 | C08 | 179.1° | 179.8° |
| C04 | C12 | C11 | C10 | 179.1° | 179.9° |
| C12 | C04 | C03 | H6 | 44.6° | 35.0° |
| C12 | C04 | C03 | H7 | 164.0° | 155.1° |
| C12 | C04 | C05 | H8 | 179.6° | 180.0° |
| C04 | C12 | C11 | H11 | 0.9° | 0.1° |
| N06 | C07 | C12 | C08 | 179.3° | 179.7° |
| N06 | C07 | C12 | C11 | 179.4° | 179.9° |
| N06 | C07 | C08 | C09 | 179.8° | 179.8° |
| C07 | N06 | C05 | H8 | 179.7° | 180.0° |
| N06 | C07 | C08 | H9 | 0.2° | 0.4° |
| C07 | C12 | C11 | C10 | 1.4° | 0.1° |
| C12 | C07 | C08 | C09 | 0.6° | 0.6° |
| C12 | C07 | C08 | H9 | 179.4° | 180.0° |
| C07 | C12 | C11 | H11 | 178.6° | 180.0° |
| C12 | C07 | N06 | H15 | 180.0° | 180.0° |
| C11 | C12 | C07 | C08 | 1.3° | 0.3° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.9° | 0.0° |
| C12 | C11 | C10 | C13 | 179.7° | 179.7° |
| C07 | C08 | C09 | H9 | 180.0° | 179.4° |
| C07 | C08 | C09 | C10 | 0.1° | 0.5° |
| C07 | C08 | C09 | H10 | 179.9° | 179.4° |
| C08 | C07 | N06 | H15 | 0.7° | 0.3° |
| C11 | C10 | C09 | C08 | 0.3° | 0.3° |
| C11 | C10 | C09 | C13 | 178.8° | 179.7° |
| C11 | C10 | C13 | H1 | 90.6° | 90.3° |
| C11 | C10 | C13 | H2 | 149.4° | 29.7° |
| C11 | C10 | C13 | H3 | 29.4° | 149.7° |
| C11 | C10 | C09 | H10 | 179.7° | 179.7° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C08 | C09 | C10 | C13 | 179.1° | 180.0° |
| C09 | C10 | C13 | H1 | 90.6° | 90.0° |
| C09 | C10 | C13 | H2 | 29.4° | 150.0° |
| C09 | C10 | C13 | H3 | 149.4° | 30.0° |
| C10 | C09 | C08 | H9 | 179.8° | 179.9° |
| C09 | C10 | C11 | H11 | 179.0° | 180.0° |
| C10 | C13 | H1 | H2 | 120.0° | 120.0° |
| C10 | C13 | H1 | H3 | 120.0° | 120.0° |
| C10 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C10 | C09 | H10 | 0.9° | 0.0° |
| C13 | C10 | C11 | H11 | 0.3° | 0.3° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C02 | C03 | H6 | 157.4° | 60.0° |
| H4 | C02 | C03 | H7 | 38.0° | 180.0° |
| H4 | C02 | N01 | H12 | 59.0° | 63.9° |
| H4 | C02 | N01 | H13 | 61.0° | 60.0° |
| H5 | C02 | C03 | H6 | 84.6° | 179.9° |
| H5 | C02 | C03 | H7 | 156.0° | 60.0° |
| H5 | C02 | N01 | H12 | 59.0° | 176.1° |
| H5 | C02 | N01 | H13 | 179.0° | 60.0° |
| H8 | C05 | N06 | H15 | 0.3° | 0.0° |
| H9 | C08 | C09 | H10 | 0.1° | 0.0° |
