V5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.44Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.36Å | |
| C02 | C23 | doub | 1.39Å | 1.35Å | Aromatic |
| O10 | C09 | sing | 1.36Å | 1.42Å | |
| C13 | O12 | sing | 1.43Å | 1.44Å | |
| C05 | C06 | sing | 1.47Å | 1.43Å | |
| C05 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| O12 | C11 | sing | 1.36Å | 1.37Å | |
| C06 | C07 | doub | 1.34Å | 1.31Å | |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | O24 | sing | 1.36Å | 1.36Å | |
| C09 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| O24 | C25 | sing | 1.43Å | 1.42Å | |
| C07 | C08 | sing | 1.47Å | 1.44Å | |
| C08 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.56Å | |
| C16 | C17 | doub | 1.35Å | 1.32Å | |
| C17 | C18 | sing | 1.42Å | 1.62Å | |
| C18 | O19 | doub | 1.22Å | 1.27Å | |
| C18 | O20 | sing | 1.35Å | 1.22Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 116.6° | 120.1° |
| C03 | C04 | C05 | 121.9° | 120.0° |
| C04 | C03 | H031 | 121.7° | 120.0° |
| C03 | C04 | H041 | 119.0° | 120.0° |
| C03 | C02 | O01 | 117.5° | 119.9° |
| C03 | C02 | C23 | 124.8° | 120.2° |
| C02 | C03 | H031 | 121.7° | 119.9° |
| C04 | C05 | C06 | 118.6° | 120.1° |
| C04 | C05 | C22 | 114.9° | 119.8° |
| C05 | C04 | H041 | 119.1° | 120.0° |
| O01 | C02 | C23 | 117.8° | 119.9° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C23 | C22 | 117.4° | 120.0° |
| C02 | C23 | O24 | 117.4° | 120.0° |
| O10 | C09 | C11 | 116.6° | 120.0° |
| O10 | C09 | C08 | 118.1° | 120.0° |
| C09 | O10 | H101 | 109.5° | 114.0° |
| C13 | O12 | C11 | 118.9° | 117.0° |
| O12 | C13 | H131 | 109.5° | 109.5° |
| O12 | C13 | H132 | 109.5° | 109.5° |
| O12 | C13 | H133 | 109.5° | 109.5° |
| C06 | C05 | C22 | 123.2° | 120.1° |
| C05 | C06 | C07 | 128.2° | 120.1° |
| C05 | C06 | H061 | 115.9° | 120.0° |
| C05 | C22 | C23 | 123.2° | 119.8° |
| C05 | C22 | H221 | 118.4° | 120.1° |
| O12 | C11 | C09 | 120.9° | 119.9° |
| O12 | C11 | C14 | 121.1° | 119.9° |
| C06 | C07 | C08 | 135.5° | 120.1° |
| C07 | C06 | H061 | 115.9° | 120.0° |
| C06 | C07 | H071 | 112.3° | 120.0° |
| C22 | C23 | O24 | 125.2° | 120.0° |
| C23 | C22 | H221 | 118.4° | 120.1° |
| C23 | O24 | C25 | 119.8° | 117.0° |
| C11 | C09 | C08 | 125.0° | 120.0° |
| C09 | C11 | C14 | 118.0° | 120.2° |
| C09 | C08 | C07 | 122.7° | 120.1° |
| C09 | C08 | C21 | 112.3° | 119.8° |
| C11 | C14 | C15 | 122.5° | 120.2° |
| C11 | C14 | H141 | 118.8° | 119.9° |
| O24 | C25 | H251 | 109.5° | 109.4° |
| O24 | C25 | H252 | 109.5° | 109.5° |
| O24 | C25 | H253 | 109.5° | 109.5° |
| C07 | C08 | C21 | 122.1° | 120.1° |
| C08 | C07 | H071 | 112.2° | 120.0° |
| C08 | C21 | C15 | 127.5° | 119.8° |
| C08 | C21 | H211 | 116.3° | 120.1° |
| C14 | C15 | C21 | 113.7° | 120.0° |
| C14 | C15 | C16 | 124.5° | 120.1° |
| C15 | C14 | H141 | 118.7° | 119.9° |
| C21 | C15 | C16 | 121.8° | 120.0° |
| C15 | C21 | H211 | 116.2° | 120.1° |
| C15 | C16 | C17 | 131.8° | 120.0° |
| C15 | C16 | H161 | 114.1° | 120.0° |
| C16 | C17 | C18 | 127.3° | 120.0° |
| C17 | C16 | H161 | 114.1° | 120.0° |
| C16 | C17 | H171 | 116.3° | 120.0° |
| C17 | C18 | O19 | 115.4° | 120.0° |
| C17 | C18 | O20 | 117.0° | 120.0° |
| C18 | C17 | H171 | 116.4° | 120.0° |
| O19 | C18 | O20 | 127.6° | 120.0° |
| C18 | O20 | H1 | 109.5° | 114.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 178.4° | 179.7° |
| C04 | C03 | C02 | C23 | 0.4° | 0.0° |
| C03 | C04 | C05 | C06 | 172.2° | 180.0° |
| C03 | C04 | C05 | C22 | 11.8° | 0.0° |
| C02 | C03 | C04 | C05 | 5.4° | 0.1° |
| C03 | C02 | O01 | C23 | 178.1° | 179.8° |
| C03 | C02 | C23 | C22 | 0.8° | 0.0° |
| C03 | C02 | C23 | O24 | 177.3° | 180.0° |
| C02 | C03 | C04 | H041 | 174.6° | 180.0° |
| C03 | C02 | O01 | H011 | 180.0° | 89.8° |
| C04 | C05 | C06 | C22 | 158.7° | 180.0° |
| C04 | C05 | C06 | C07 | 145.0° | 0.0° |
| C04 | C05 | C22 | C23 | 13.3° | 0.0° |
| C05 | C04 | C03 | H031 | 174.6° | 180.0° |
| C04 | C05 | C06 | H061 | 35.1° | 180.0° |
| C04 | C05 | C22 | H221 | 166.7° | 180.0° |
| O01 | C02 | C23 | C22 | 177.1° | 179.8° |
| O01 | C02 | C23 | O24 | 0.6° | 0.3° |
| O01 | C02 | C03 | H031 | 1.6° | 0.3° |
| C02 | C23 | C22 | C05 | 8.2° | 0.0° |
| C02 | C23 | C22 | O24 | 176.2° | 180.0° |
| C02 | C23 | O24 | C25 | 176.5° | 180.0° |
| C23 | C02 | C03 | H031 | 179.5° | 180.0° |
| C02 | C23 | C22 | H221 | 171.8° | 180.0° |
| C23 | C02 | O01 | H011 | 1.9° | 90.0° |
| O10 | C09 | C11 | O12 | 0.7° | 0.0° |
| O10 | C09 | C11 | C08 | 174.5° | 179.9° |
| O10 | C09 | C11 | C14 | 179.8° | 180.0° |
| O10 | C09 | C08 | C07 | 13.6° | 0.0° |
| O10 | C09 | C08 | C21 | 174.6° | 179.8° |
| C13 | O12 | C11 | C09 | 149.7° | 180.0° |
| C13 | O12 | C11 | C14 | 29.4° | 0.1° |
| O12 | C13 | H131 | H132 | 120.0° | 120.0° |
| O12 | C13 | H131 | H133 | 120.0° | 120.0° |
| O12 | C13 | H132 | H133 | 120.0° | 120.1° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C22 | C23 | 172.7° | 180.0° |
| C05 | C06 | C07 | C08 | 165.1° | NaN° |
| C06 | C05 | C04 | H041 | 7.8° | 0.1° |
| C05 | C06 | C07 | H071 | 15.0° | 0.0° |
| C06 | C05 | C22 | H221 | 7.3° | 0.0° |
| C22 | C05 | C06 | C07 | 13.7° | 180.0° |
| C05 | C22 | C23 | H221 | 180.0° | 179.9° |
| C05 | C22 | C23 | O24 | 175.7° | 180.0° |
| C22 | C05 | C04 | H041 | 168.2° | 179.9° |
| C22 | C05 | C06 | H061 | 166.3° | 0.0° |
| O12 | C11 | C09 | C14 | 179.1° | 179.9° |
| O12 | C11 | C09 | C08 | 175.2° | 180.0° |
| O12 | C11 | C14 | C15 | 178.9° | 180.0° |
| C11 | O12 | C13 | H131 | 180.0° | 180.0° |
| C11 | O12 | C13 | H132 | 60.0° | 60.0° |
| C11 | O12 | C13 | H133 | 60.0° | 60.0° |
| O12 | C11 | C14 | H141 | 1.1° | 0.1° |
| C06 | C07 | C08 | C09 | 3.0° | 179.8° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C21 | 156.1° | 0.0° |
| C22 | C23 | O24 | C25 | 7.4° | 0.0° |
| O24 | C23 | C22 | H221 | 4.3° | 0.1° |
| C23 | O24 | C25 | H251 | 180.0° | 180.0° |
| C23 | O24 | C25 | H252 | 60.0° | 60.1° |
| C23 | O24 | C25 | H253 | 60.0° | 60.0° |
| C11 | C09 | C08 | C07 | 172.0° | 179.9° |
| C11 | C09 | C08 | C21 | 11.0° | 0.2° |
| C09 | C11 | C14 | C15 | 0.2° | 0.1° |
| C09 | C11 | C14 | H141 | 179.8° | 180.0° |
| C11 | C09 | O10 | H101 | 180.0° | 90.1° |
| C08 | C09 | C11 | C14 | 5.7° | 0.1° |
| C09 | C08 | C07 | C21 | 159.1° | 179.8° |
| C09 | C08 | C21 | C15 | 12.0° | 0.5° |
| C09 | C08 | C07 | H071 | 177.0° | 0.3° |
| C09 | C08 | C21 | H211 | 167.9° | 179.8° |
| C08 | C09 | O10 | H101 | 5.1° | 90.0° |
| C11 | C14 | C15 | H141 | 180.0° | 180.0° |
| C11 | C14 | C15 | C21 | 0.4° | 0.3° |
| C11 | C14 | C15 | C16 | 180.0° | 180.0° |
| O24 | C25 | H251 | H252 | 120.0° | 120.0° |
| O24 | C25 | H251 | H253 | 120.0° | 120.0° |
| O24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C07 | C08 | C21 | C15 | 173.1° | 179.7° |
| C08 | C07 | C06 | H061 | 15.0° | 0.0° |
| C07 | C08 | C21 | H211 | 6.8° | 0.1° |
| C08 | C21 | C15 | C14 | 7.2° | 0.6° |
| C08 | C21 | C15 | H211 | 180.0° | 179.7° |
| C08 | C21 | C15 | C16 | 173.2° | 179.7° |
| C21 | C08 | C07 | H071 | 23.9° | 180.0° |
| C14 | C15 | C21 | C16 | 179.6° | 179.7° |
| C14 | C15 | C16 | C17 | 11.4° | 0.0° |
| C14 | C15 | C16 | H161 | 168.6° | 180.0° |
| C14 | C15 | C21 | H211 | 172.8° | 179.8° |
| C21 | C15 | C16 | C17 | 169.1° | 179.7° |
| C21 | C15 | C14 | H141 | 179.6° | 179.7° |
| C21 | C15 | C16 | H161 | 10.9° | 0.3° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 0.0° | 0.0° |
| C15 | C16 | C17 | H171 | 0.1° | 0.1° |
| C16 | C15 | C21 | H211 | 6.8° | 0.1° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | O19 | 175.7° | 0.0° |
| C16 | C17 | C18 | O20 | 3.2° | 180.0° |
| C17 | C18 | O19 | O20 | 178.8° | 180.0° |
| C18 | C17 | C16 | H161 | 0.2° | 0.0° |
| C17 | C18 | O20 | H1 | 178.7° | 180.0° |
| O19 | C18 | C17 | H171 | 4.3° | 179.9° |
| O19 | C18 | O20 | H1 | 0.0° | 0.1° |
| O20 | C18 | C17 | H171 | 176.8° | 0.0° |
| H031 | C03 | C04 | H041 | 5.4° | 0.0° |
| H061 | C06 | C07 | H071 | 165.0° | 179.9° |
| H131 | C13 | H132 | H133 | 119.9° | 119.9° |
| H161 | C16 | C17 | H171 | 179.9° | 179.9° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
