CV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O03 | P02 | doub | 1.48Å | 1.51Å | |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.48Å | 1.52Å | |
| C05 | N06 | sing | 1.47Å | 1.46Å | |
| C05 | P02 | sing | 1.82Å | 1.85Å | |
| C05 | C07 | sing | 1.51Å | 1.52Å | |
| P02 | O04 | sing | 1.61Å | 1.50Å | |
| P02 | O01 | sing | 1.61Å | 1.51Å | |
| C07 | C08 | doub | 1.33Å | 1.31Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N06 | H9 | sing | 1.01Å | 1.00Å | |
| N06 | H10 | sing | 1.01Å | 1.00Å | |
| O01 | H12 | sing | 0.97Å | 0.95Å | |
| O04 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 119.7° | 120.2° |
| C13 | C12 | C11 | 120.6° | 120.3° |
| C13 | C12 | H6 | 119.7° | 119.9° |
| C12 | C13 | H7 | 120.1° | 119.9° |
| C13 | C14 | C09 | 119.6° | 119.8° |
| C14 | C13 | H7 | 120.2° | 119.9° |
| C13 | C14 | H8 | 120.2° | 120.1° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H5 | 119.9° | 120.0° |
| C11 | C12 | H6 | 119.7° | 119.8° |
| C14 | C09 | C10 | 120.7° | 119.7° |
| C14 | C09 | C07 | 118.3° | 120.1° |
| C09 | C14 | H8 | 120.2° | 120.1° |
| C11 | C10 | C09 | 119.4° | 119.8° |
| C11 | C10 | H4 | 120.3° | 120.0° |
| C10 | C11 | H5 | 120.0° | 119.9° |
| O03 | P02 | C05 | 102.1° | 109.5° |
| O03 | P02 | O04 | 111.8° | 109.5° |
| O03 | P02 | O01 | 112.5° | 109.5° |
| C10 | C09 | C07 | 121.0° | 120.1° |
| C09 | C10 | H4 | 120.3° | 120.1° |
| C09 | C07 | C05 | 115.4° | 120.0° |
| C09 | C07 | C08 | 122.9° | 120.1° |
| N06 | C05 | P02 | 104.8° | 109.5° |
| N06 | C05 | C07 | 111.6° | 109.5° |
| N06 | C05 | H1 | 110.7° | 109.5° |
| C05 | N06 | H9 | 109.5° | 111.1° |
| C05 | N06 | H10 | 109.4° | 111.0° |
| P02 | C05 | C07 | 113.4° | 109.4° |
| C05 | P02 | O04 | 114.0° | 109.5° |
| C05 | P02 | O01 | 108.4° | 109.4° |
| P02 | C05 | H1 | 106.2° | 109.5° |
| C05 | C07 | C08 | 121.7° | 120.0° |
| C07 | C05 | H1 | 109.9° | 109.5° |
| O04 | P02 | O01 | 108.0° | 109.5° |
| P02 | O04 | H13 | 109.5° | 113.9° |
| P02 | O01 | H12 | 109.5° | 114.0° |
| C07 | C08 | H2 | 120.0° | 119.9° |
| C07 | C08 | H3 | 120.0° | 120.0° |
| H2 | C08 | H3 | 120.0° | 120.1° |
| H9 | N06 | H10 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H7 | 180.0° | 179.7° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C09 | 0.0° | 0.6° |
| C13 | C12 | C11 | C10 | 0.7° | 0.1° |
| C13 | C12 | C11 | H5 | 179.3° | 180.0° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C13 | C14 | C09 | H8 | 180.0° | 179.4° |
| C13 | C14 | C09 | C10 | 0.1° | 0.5° |
| C13 | C14 | C09 | C07 | 178.1° | 179.7° |
| C14 | C13 | C12 | H6 | 179.6° | 179.7° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.8° | 0.0° |
| C12 | C11 | C10 | H4 | 179.3° | 180.0° |
| C11 | C12 | C13 | H7 | 179.6° | 180.0° |
| C14 | C09 | C10 | C11 | 0.4° | 0.3° |
| C14 | C09 | C10 | C07 | 178.0° | 179.8° |
| C14 | C09 | C07 | C05 | 25.1° | 64.8° |
| C14 | C09 | C07 | C08 | 157.0° | 115.2° |
| C14 | C09 | C10 | H4 | 179.6° | 179.8° |
| C09 | C14 | C13 | H7 | 179.9° | 179.7° |
| C11 | C10 | C09 | H4 | 180.0° | 180.0° |
| C11 | C10 | C09 | C07 | 178.4° | 179.9° |
| C10 | C11 | C12 | H6 | 179.2° | 180.0° |
| O03 | P02 | C05 | N06 | 71.9° | 45.3° |
| O03 | P02 | C05 | O04 | 120.8° | 120.0° |
| O03 | P02 | C05 | O01 | 118.9° | 120.0° |
| O03 | P02 | C05 | C07 | 166.1° | 74.6° |
| O03 | P02 | O04 | O01 | 124.2° | 120.0° |
| O03 | P02 | C05 | H1 | 45.3° | 165.4° |
| O03 | P02 | O01 | H12 | 0.0° | 60.0° |
| O03 | P02 | O04 | H13 | 0.0° | 180.0° |
| C10 | C09 | C07 | C05 | 153.0° | 115.0° |
| C10 | C09 | C07 | C08 | 25.0° | 65.0° |
| C09 | C10 | C11 | H5 | 179.2° | 180.0° |
| C10 | C09 | C14 | H8 | 179.9° | 180.0° |
| C09 | C07 | C05 | N06 | 110.6° | 55.3° |
| C09 | C07 | C05 | P02 | 131.3° | 64.6° |
| C09 | C07 | C05 | C08 | 178.0° | 180.0° |
| C09 | C07 | C05 | H1 | 12.6° | 175.4° |
| C09 | C07 | C08 | H2 | 177.8° | 5.3° |
| C09 | C07 | C08 | H3 | 2.2° | 174.7° |
| C07 | C09 | C10 | H4 | 1.6° | 0.0° |
| C07 | C09 | C14 | H8 | 1.9° | 0.3° |
| N06 | C05 | P02 | C07 | 122.0° | 120.0° |
| N06 | C05 | P02 | H1 | 117.2° | 120.1° |
| N06 | C05 | C07 | H1 | 123.2° | 120.0° |
| N06 | C05 | P02 | O04 | 167.3° | 165.4° |
| N06 | C05 | P02 | O01 | 47.0° | 74.6° |
| N06 | C05 | C07 | C08 | 67.4° | 124.7° |
| C05 | N06 | H9 | H10 | 120.0° | 124.0° |
| P02 | C05 | C07 | H1 | 118.7° | 120.0° |
| C05 | P02 | O04 | O01 | 120.5° | 120.0° |
| P02 | C05 | C07 | C08 | 50.8° | 115.4° |
| P02 | C05 | N06 | H9 | 180.0° | 59.9° |
| P02 | C05 | N06 | H10 | 60.0° | 64.0° |
| C05 | P02 | O01 | H12 | 112.2° | 180.0° |
| C05 | P02 | O04 | H13 | 115.2° | 60.0° |
| C07 | C05 | P02 | O04 | 45.3° | 45.4° |
| C07 | C05 | P02 | O01 | 75.0° | 165.4° |
| C05 | C07 | C08 | H2 | 0.0° | 174.7° |
| C05 | C07 | C08 | H3 | 180.0° | 5.3° |
| C07 | C05 | N06 | H9 | 56.8° | 60.0° |
| C07 | C05 | N06 | H10 | 63.2° | 176.0° |
| O04 | P02 | C05 | H1 | 75.5° | 74.6° |
| O04 | P02 | O01 | H12 | 123.9° | 60.0° |
| O01 | P02 | C05 | H1 | 164.2° | 45.4° |
| O01 | P02 | O04 | H13 | 124.2° | 60.0° |
| C08 | C07 | C05 | H1 | 169.4° | 4.6° |
| C07 | C08 | H2 | H3 | 180.0° | 180.0° |
| H1 | C05 | N06 | H9 | 65.9° | 180.0° |
| H1 | C05 | N06 | H10 | 174.1° | 56.0° |
| H4 | C10 | C11 | H5 | 0.7° | 0.0° |
| H5 | C11 | C12 | H6 | 0.8° | 0.0° |
| H6 | C12 | C13 | H7 | 0.4° | 0.0° |
| H7 | C13 | C14 | H8 | 0.1° | 0.3° |
