VFM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O14 | doub | 1.21Å | 1.12Å | |
| C11 | N10 | sing | 1.35Å | 1.38Å | |
| N10 | C08 | sing | 1.39Å | 1.39Å | |
| C08 | N07 | doub | 1.30Å | 1.33Å | Aromatic |
| C08 | S09 | sing | 1.71Å | 1.63Å | Aromatic |
| N07 | N06 | sing | 1.26Å | 1.47Å | Aromatic |
| S09 | C05 | sing | 1.76Å | 1.61Å | Aromatic |
| N06 | C05 | doub | 1.30Å | 1.31Å | Aromatic |
| C05 | S01 | sing | 1.76Å | 1.79Å | |
| N04 | S01 | sing | 1.66Å | 1.68Å | |
| O03 | S01 | doub | 1.42Å | 1.47Å | |
| S01 | O02 | doub | 1.42Å | 1.50Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | 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) |
| C15 | C12 | C13 | 107.8° | 109.4° |
| C15 | C12 | C11 | 112.8° | 109.5° |
| C12 | C15 | H4 | 109.5° | 109.5° |
| C12 | C15 | H5 | 109.5° | 109.5° |
| C12 | C15 | H6 | 109.5° | 109.5° |
| C15 | C12 | H7 | 107.6° | 109.5° |
| C13 | C12 | C11 | 112.5° | 109.5° |
| C12 | C13 | H1 | 109.5° | 109.5° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C13 | C12 | H7 | 108.1° | 109.4° |
| C12 | C11 | O14 | 120.7° | 120.0° |
| C12 | C11 | N10 | 114.6° | 120.0° |
| C11 | C12 | H7 | 107.9° | 109.5° |
| O14 | C11 | N10 | 124.5° | 120.0° |
| C11 | N10 | C08 | 119.2° | 120.0° |
| C11 | N10 | H10 | 120.4° | 120.0° |
| N10 | C08 | N07 | 115.5° | 125.7° |
| N10 | C08 | S09 | 127.8° | 125.6° |
| C08 | N10 | H10 | 120.4° | 120.0° |
| N07 | C08 | S09 | 116.4° | 108.7° |
| C08 | N07 | N06 | 107.9° | 117.7° |
| C08 | S09 | C05 | 89.6° | 89.3° |
| N07 | N06 | C05 | 108.0° | 116.6° |
| S09 | C05 | N06 | 117.8° | 107.7° |
| S09 | C05 | S01 | 124.2° | 126.1° |
| N06 | C05 | S01 | 117.9° | 126.2° |
| C05 | S01 | N04 | 108.9° | 107.2° |
| C05 | S01 | O03 | 102.6° | 106.4° |
| C05 | S01 | O02 | 106.2° | 106.5° |
| N04 | S01 | O03 | 110.8° | 106.3° |
| N04 | S01 | O02 | 112.1° | 106.4° |
| S01 | N04 | H8 | 109.5° | 120.0° |
| S01 | N04 | H9 | 109.4° | 120.0° |
| O03 | S01 | O02 | 115.6° | 123.1° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.4° | 109.4° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H6 | 109.5° | 109.4° |
| H5 | C15 | H6 | 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) |
| C15 | C12 | C13 | C11 | 125.0° | 120.0° |
| C15 | C12 | C13 | H7 | 116.0° | 120.0° |
| C15 | C12 | C11 | H7 | 118.7° | 120.0° |
| C15 | C12 | C11 | O14 | 103.2° | 120.0° |
| C15 | C12 | C11 | N10 | 73.0° | 60.0° |
| C15 | C12 | C13 | H1 | 180.0° | 60.0° |
| C15 | C12 | C13 | H2 | 60.0° | 180.0° |
| C15 | C12 | C13 | H3 | 60.0° | 60.0° |
| C12 | C15 | H4 | H5 | 120.0° | 120.0° |
| C12 | C15 | H4 | H6 | 120.0° | 120.0° |
| C12 | C15 | H5 | H6 | 120.0° | 120.0° |
| C13 | C12 | C11 | H7 | 119.1° | 120.0° |
| C13 | C12 | C11 | O14 | 19.0° | 0.1° |
| C13 | C12 | C11 | N10 | 164.8° | 180.0° |
| C12 | C13 | H1 | H2 | 120.0° | 120.0° |
| C12 | C13 | H1 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C12 | C15 | H4 | 180.0° | 180.0° |
| C13 | C12 | C15 | H5 | 60.0° | 60.0° |
| C13 | C12 | C15 | H6 | 60.0° | 60.0° |
| C12 | C11 | O14 | N10 | 175.8° | 179.9° |
| C12 | C11 | N10 | C08 | 175.7° | 180.0° |
| C11 | C12 | C13 | H1 | 55.0° | 180.0° |
| C11 | C12 | C13 | H2 | 175.0° | 59.9° |
| C11 | C12 | C13 | H3 | 65.0° | 60.0° |
| C11 | C12 | C15 | H4 | 55.2° | 59.9° |
| C11 | C12 | C15 | H5 | 64.8° | 180.0° |
| C11 | C12 | C15 | H6 | 175.2° | 60.0° |
| C12 | C11 | N10 | H10 | 4.3° | 0.0° |
| O14 | C11 | N10 | C08 | 0.4° | 0.0° |
| O14 | C11 | C12 | H7 | 138.1° | 120.0° |
| O14 | C11 | N10 | H10 | 179.6° | 179.9° |
| C11 | N10 | C08 | H10 | 180.0° | 179.9° |
| C11 | N10 | C08 | N07 | 169.9° | 0.0° |
| C11 | N10 | C08 | S09 | 3.2° | 179.7° |
| N10 | C11 | C12 | H7 | 45.7° | 60.1° |
| N10 | C08 | N07 | S09 | 174.0° | 179.7° |
| N10 | C08 | N07 | N06 | 178.9° | 180.0° |
| N10 | C08 | S09 | C05 | 177.8° | 179.9° |
| N07 | C08 | S09 | C05 | 4.7° | 0.4° |
| C08 | N07 | N06 | C05 | 2.6° | 0.1° |
| N07 | C08 | N10 | H10 | 10.1° | 180.0° |
| S09 | C08 | N07 | N06 | 4.9° | 0.3° |
| C08 | S09 | C05 | N06 | 3.0° | 0.3° |
| C08 | S09 | C05 | S01 | 179.9° | 179.9° |
| S09 | C08 | N10 | H10 | 176.8° | 0.4° |
| N07 | N06 | C05 | S09 | 0.7° | 0.2° |
| N07 | N06 | C05 | S01 | 178.1° | 180.0° |
| S09 | C05 | N06 | S01 | 177.3° | 179.8° |
| S09 | C05 | S01 | N04 | 120.6° | 89.7° |
| S09 | C05 | S01 | O03 | 3.2° | 156.8° |
| S09 | C05 | S01 | O02 | 118.5° | 23.8° |
| N06 | C05 | S01 | N04 | 56.5° | 90.0° |
| N06 | C05 | S01 | O03 | 174.0° | 23.5° |
| N06 | C05 | S01 | O02 | 64.3° | 156.5° |
| C05 | S01 | N04 | O03 | 112.1° | 113.6° |
| C05 | S01 | N04 | O02 | 117.2° | 113.6° |
| C05 | S01 | O03 | O02 | 115.0° | 123.1° |
| C05 | S01 | N04 | H8 | 180.0° | 150.0° |
| C05 | S01 | N04 | H9 | 60.0° | 30.0° |
| N04 | S01 | O03 | O02 | 128.9° | 122.8° |
| S01 | N04 | H8 | H9 | 120.0° | 180.0° |
| O03 | S01 | N04 | H8 | 67.9° | 96.4° |
| O03 | S01 | N04 | H9 | 52.1° | 83.6° |
| O02 | S01 | N04 | H8 | 62.8° | 36.4° |
| O02 | S01 | N04 | H9 | 177.2° | 143.6° |
| H1 | C13 | H2 | H3 | 120.0° | 119.9° |
| H1 | C13 | C12 | H7 | 64.0° | 60.0° |
| H2 | C13 | C12 | H7 | 56.0° | 60.1° |
| H3 | C13 | C12 | H7 | 176.0° | 180.0° |
| H4 | C15 | H5 | H6 | 120.0° | 119.9° |
| H4 | C15 | C12 | H7 | 63.7° | 60.1° |
| H5 | C15 | C12 | H7 | 176.3° | 59.9° |
| H6 | C15 | C12 | H7 | 56.3° | 179.9° |
