VFJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | O14 | doub | 1.21Å | 1.17Å | |
| C11 | N10 | sing | 1.35Å | 1.43Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| N10 | C08 | sing | 1.39Å | 1.43Å | |
| C08 | N07 | doub | 1.30Å | 1.38Å | Aromatic |
| C08 | S09 | sing | 1.71Å | 1.56Å | Aromatic |
| N07 | N06 | sing | 1.26Å | 1.56Å | Aromatic |
| S09 | C05 | sing | 1.76Å | 1.56Å | Aromatic |
| N06 | C05 | doub | 1.30Å | 1.37Å | Aromatic |
| C05 | S01 | sing | 1.76Å | 1.79Å | |
| N04 | S01 | sing | 1.66Å | 1.69Å | |
| O02 | S01 | doub | 1.42Å | 1.45Å | |
| S01 | O03 | doub | 1.42Å | 1.44Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| N04 | H8 | sing | 0.97Å | 1.00Å | |
| N04 | H9 | sing | 0.97Å | 1.00Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 114.4° | 109.5° |
| C12 | C11 | O14 | 122.2° | 120.0° |
| C12 | C11 | N10 | 118.7° | 119.9° |
| C11 | C12 | H6 | 108.2° | 109.5° |
| C11 | C12 | H7 | 108.2° | 109.5° |
| C12 | C13 | C15 | 114.7° | 109.5° |
| C12 | C13 | H1 | 108.1° | 109.5° |
| C12 | C13 | H2 | 108.2° | 109.5° |
| C13 | C12 | H6 | 108.2° | 109.5° |
| C13 | C12 | H7 | 108.2° | 109.4° |
| O14 | C11 | N10 | 119.1° | 120.1° |
| C11 | N10 | C08 | 120.6° | 119.9° |
| C11 | N10 | H10 | 119.7° | 120.1° |
| C15 | C13 | H1 | 108.2° | 109.5° |
| C15 | C13 | H2 | 108.1° | 109.5° |
| C13 | C15 | H3 | 109.5° | 109.5° |
| C13 | C15 | H4 | 109.5° | 109.5° |
| C13 | C15 | H5 | 109.5° | 109.5° |
| N10 | C08 | N07 | 118.2° | 125.7° |
| N10 | C08 | S09 | 129.9° | 125.6° |
| C08 | N10 | H10 | 119.7° | 120.0° |
| N07 | C08 | S09 | 111.8° | 108.7° |
| C08 | N07 | N06 | 108.0° | 117.7° |
| C08 | S09 | C05 | 100.3° | 89.4° |
| N07 | N06 | C05 | 107.4° | 116.6° |
| S09 | C05 | N06 | 112.5° | 107.7° |
| S09 | C05 | S01 | 130.5° | 126.2° |
| N06 | C05 | S01 | 117.1° | 126.1° |
| C05 | S01 | N04 | 106.6° | 107.2° |
| C05 | S01 | O02 | 108.6° | 106.4° |
| C05 | S01 | O03 | 110.2° | 106.4° |
| N04 | S01 | O02 | 117.4° | 106.4° |
| N04 | S01 | O03 | 108.4° | 106.4° |
| S01 | N04 | H8 | 109.5° | 120.0° |
| S01 | N04 | H9 | 109.5° | 120.0° |
| O02 | S01 | O03 | 105.6° | 123.2° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.4° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | N04 | H9 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H6 | 120.7° | 120.0° |
| C11 | C12 | C13 | H7 | 120.7° | 120.0° |
| C12 | C11 | O14 | N10 | 178.5° | 179.9° |
| C11 | C12 | C13 | C15 | 18.9° | 180.0° |
| C12 | C11 | N10 | C08 | 178.9° | 180.0° |
| C11 | C12 | C13 | H1 | 101.9° | 60.0° |
| C11 | C12 | C13 | H2 | 139.7° | 60.0° |
| C11 | C12 | H6 | H7 | 117.7° | 120.1° |
| C12 | C11 | N10 | H10 | 1.1° | 0.0° |
| C13 | C12 | C11 | O14 | 118.1° | 0.0° |
| C13 | C12 | C11 | N10 | 63.4° | 180.0° |
| C12 | C13 | C15 | H1 | 120.8° | 120.0° |
| C12 | C13 | C15 | H2 | 120.8° | 120.0° |
| C12 | C13 | H1 | H2 | 117.6° | 119.9° |
| C12 | C13 | C15 | H3 | 180.0° | 180.0° |
| C12 | C13 | C15 | H4 | 60.0° | 60.0° |
| C12 | C13 | C15 | H5 | 60.0° | 60.0° |
| C13 | C12 | H6 | H7 | 117.8° | 119.9° |
| O14 | C11 | N10 | C08 | 2.5° | 0.0° |
| O14 | C11 | C12 | H6 | 121.2° | 120.0° |
| O14 | C11 | C12 | H7 | 2.6° | 119.9° |
| O14 | C11 | N10 | H10 | 177.4° | 180.0° |
| C11 | N10 | C08 | H10 | 180.0° | 180.0° |
| C11 | N10 | C08 | N07 | 176.5° | 0.0° |
| C11 | N10 | C08 | S09 | 5.2° | 179.7° |
| N10 | C11 | C12 | H6 | 57.3° | 60.0° |
| N10 | C11 | C12 | H7 | 175.9° | 60.0° |
| C15 | C13 | H1 | H2 | 117.6° | 120.0° |
| C13 | C15 | H3 | H4 | 120.0° | 120.0° |
| C13 | C15 | H3 | H5 | 120.0° | 120.0° |
| C13 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C13 | C12 | H6 | 139.7° | 60.0° |
| C15 | C13 | C12 | H7 | 101.8° | 60.0° |
| N10 | C08 | N07 | S09 | 178.6° | 179.7° |
| N10 | C08 | N07 | N06 | 179.0° | 180.0° |
| N10 | C08 | S09 | C05 | 178.5° | 179.9° |
| N07 | C08 | S09 | C05 | 0.1° | 0.3° |
| C08 | N07 | N06 | C05 | 0.5° | 0.0° |
| N07 | C08 | N10 | H10 | 3.5° | 180.0° |
| S09 | C08 | N07 | N06 | 0.4° | 0.3° |
| C08 | S09 | C05 | N06 | 0.3° | 0.3° |
| C08 | S09 | C05 | S01 | 179.9° | 179.9° |
| S09 | C08 | N10 | H10 | 174.8° | 0.3° |
| N07 | N06 | C05 | S09 | 0.5° | 0.2° |
| N07 | N06 | C05 | S01 | 179.8° | 180.0° |
| S09 | C05 | N06 | S01 | 179.7° | 179.7° |
| S09 | C05 | S01 | N04 | 129.6° | 89.7° |
| S09 | C05 | S01 | O02 | 2.2° | 23.8° |
| S09 | C05 | S01 | O03 | 113.0° | 156.8° |
| N06 | C05 | S01 | N04 | 50.0° | 90.0° |
| N06 | C05 | S01 | O02 | 177.4° | 156.5° |
| N06 | C05 | S01 | O03 | 67.4° | 23.6° |
| C05 | S01 | N04 | O02 | 122.0° | 113.5° |
| C05 | S01 | N04 | O03 | 118.6° | 113.6° |
| C05 | S01 | O02 | O03 | 118.1° | 122.9° |
| C05 | S01 | N04 | H8 | 180.0° | 0.0° |
| C05 | S01 | N04 | H9 | 60.0° | 180.0° |
| N04 | S01 | O02 | O03 | 120.9° | 122.9° |
| S01 | N04 | H8 | H9 | 120.0° | 179.9° |
| O02 | S01 | N04 | H8 | 58.0° | 113.5° |
| O02 | S01 | N04 | H9 | 61.9° | 66.4° |
| O03 | S01 | N04 | H8 | 61.4° | 113.6° |
| O03 | S01 | N04 | H9 | 178.6° | 66.5° |
| H1 | C13 | C15 | H3 | 59.2° | 60.0° |
| H1 | C13 | C15 | H4 | 179.3° | 60.0° |
| H1 | C13 | C15 | H5 | 60.7° | 180.0° |
| H1 | C13 | C12 | H6 | 18.9° | 180.0° |
| H1 | C13 | C12 | H7 | 137.4° | 60.1° |
| H2 | C13 | C15 | H3 | 59.2° | 59.9° |
| H2 | C13 | C15 | H4 | 60.8° | 180.0° |
| H2 | C13 | C15 | H5 | 179.2° | 60.0° |
| H2 | C13 | C12 | H6 | 99.6° | 60.1° |
| H2 | C13 | C12 | H7 | 19.0° | 180.0° |
| H3 | C15 | H4 | H5 | 119.9° | 119.9° |
