V6U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O23 | sing | 1.45Å | 1.41Å | |
| O24 | C22 | doub | 1.21Å | 1.15Å | |
| C21 | C10 | sing | 1.51Å | 1.55Å | |
| C21 | C13 | sing | 1.51Å | 1.51Å | |
| O23 | C22 | sing | 1.35Å | 1.41Å | |
| C22 | C12 | sing | 1.48Å | 1.49Å | |
| N20 | C06 | sing | 1.38Å | 1.41Å | |
| C10 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | N07 | sing | 1.35Å | 1.35Å | Aromatic |
| N05 | C06 | doub | 1.32Å | 1.42Å | Aromatic |
| N05 | C04 | sing | 1.33Å | 1.39Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.40Å | Aromatic |
| C09 | C04 | sing | 1.48Å | 1.50Å | |
| C09 | N08 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.49Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.48Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.37Å | Aromatic |
| N07 | C18 | sing | 1.47Å | 1.46Å | |
| N01 | C02 | doub | 1.33Å | 1.36Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.50Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | CL19 | sing | 1.74Å | 1.75Å | |
| C14 | C15 | doub | 1.38Å | 1.50Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.46Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.48Å | Aromatic |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N20 | H202 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O23 | C22 | 115.6° | 117.0° |
| O23 | C25 | H253 | 109.5° | 109.5° |
| O23 | C25 | H252 | 109.4° | 109.5° |
| O23 | C25 | H251 | 109.5° | 109.5° |
| O24 | C22 | O23 | 124.1° | 120.0° |
| O24 | C22 | C12 | 119.4° | 120.0° |
| C10 | C21 | C13 | 110.5° | 109.5° |
| C21 | C10 | C11 | 126.1° | 126.0° |
| C21 | C10 | C09 | 128.0° | 126.1° |
| C10 | C21 | H212 | 109.2° | 109.5° |
| C10 | C21 | H211 | 109.2° | 109.5° |
| C21 | C13 | C12 | 122.1° | 120.1° |
| C21 | C13 | C14 | 119.0° | 120.1° |
| C13 | C21 | H212 | 109.2° | 109.4° |
| C13 | C21 | H211 | 109.2° | 109.5° |
| O23 | C22 | C12 | 116.4° | 120.0° |
| C22 | C12 | C13 | 122.6° | 120.1° |
| C22 | C12 | C17 | 115.3° | 120.2° |
| N20 | C06 | N05 | 123.4° | 119.1° |
| N20 | C06 | N01 | 116.4° | 119.1° |
| C06 | N20 | H201 | 109.5° | 120.1° |
| C06 | N20 | H202 | 109.4° | 120.0° |
| C11 | C10 | C09 | 105.8° | 107.9° |
| C10 | C11 | N07 | 107.6° | 108.0° |
| C10 | C11 | H111 | 126.2° | 126.1° |
| C10 | C09 | C04 | 129.3° | 126.1° |
| C10 | C09 | N08 | 110.4° | 107.9° |
| C11 | N07 | N08 | 109.7° | 108.1° |
| C11 | N07 | C18 | 126.6° | 125.9° |
| N07 | C11 | H111 | 126.2° | 126.0° |
| C06 | N05 | C04 | 121.3° | 120.6° |
| N05 | C06 | N01 | 120.2° | 121.8° |
| N05 | C04 | C09 | 122.2° | 120.4° |
| N05 | C04 | C03 | 118.9° | 119.0° |
| C06 | N01 | C02 | 116.3° | 120.9° |
| C04 | C09 | N08 | 120.2° | 126.0° |
| C09 | C04 | C03 | 118.7° | 120.5° |
| C09 | N08 | N07 | 106.4° | 108.1° |
| C04 | C03 | C02 | 116.9° | 118.5° |
| C04 | C03 | H031 | 121.5° | 120.8° |
| C12 | C13 | C14 | 118.8° | 119.8° |
| C13 | C12 | C17 | 122.0° | 119.7° |
| C13 | C14 | C15 | 118.9° | 120.2° |
| C13 | C14 | H141 | 120.6° | 119.9° |
| N08 | N07 | C18 | 123.6° | 125.9° |
| N07 | C18 | H182 | 109.5° | 109.4° |
| N07 | C18 | H181 | 109.5° | 109.5° |
| N07 | C18 | H183 | 109.5° | 109.5° |
| N01 | C02 | C03 | 126.4° | 119.2° |
| N01 | C02 | CL19 | 117.3° | 120.4° |
| C12 | C17 | C16 | 118.4° | 119.8° |
| C12 | C17 | H171 | 120.8° | 120.1° |
| C03 | C02 | CL19 | 116.1° | 120.4° |
| C02 | C03 | H031 | 121.6° | 120.7° |
| C14 | C15 | C16 | 121.3° | 120.3° |
| C15 | C14 | H141 | 120.6° | 119.9° |
| C14 | C15 | H151 | 119.4° | 119.8° |
| C17 | C16 | C15 | 120.7° | 120.2° |
| C17 | C16 | H161 | 119.7° | 119.9° |
| C16 | C17 | H171 | 120.8° | 120.1° |
| C16 | C15 | H151 | 119.3° | 119.9° |
| C15 | C16 | H161 | 119.7° | 119.9° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.5° |
| H253 | C25 | H251 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H201 | N20 | H202 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O23 | C22 | O24 | 8.5° | 0.0° |
| C25 | O23 | C22 | C12 | 174.6° | 180.0° |
| O23 | C25 | H253 | H252 | 120.0° | 120.0° |
| O23 | C25 | H253 | H251 | 120.0° | 120.0° |
| O23 | C25 | H252 | H251 | 120.0° | 120.1° |
| O24 | C22 | O23 | C12 | 177.0° | 180.0° |
| O24 | C22 | C12 | C13 | 31.0° | 5.8° |
| O24 | C22 | C12 | C17 | 152.6° | 174.0° |
| C10 | C21 | C13 | H212 | 120.2° | 120.0° |
| C10 | C21 | C13 | H211 | 120.2° | 120.0° |
| C21 | C10 | C11 | C09 | 176.9° | 179.9° |
| C21 | C10 | C11 | N07 | 177.6° | 180.0° |
| C21 | C10 | C09 | C04 | 3.9° | 0.0° |
| C21 | C10 | C09 | N08 | 178.9° | 179.8° |
| C10 | C21 | C13 | C12 | 95.6° | 174.4° |
| C10 | C21 | C13 | C14 | 80.5° | 5.7° |
| C21 | C10 | C11 | H111 | 2.3° | 0.1° |
| C10 | C21 | H212 | H211 | 119.6° | 120.0° |
| C21 | C13 | C12 | C22 | 6.3° | 0.3° |
| C13 | C21 | C10 | C11 | 86.7° | 97.8° |
| C13 | C21 | C10 | C09 | 97.2° | 82.2° |
| C21 | C13 | C12 | C14 | 176.1° | 180.0° |
| C21 | C13 | C12 | C17 | 177.6° | 180.0° |
| C21 | C13 | C14 | C15 | 178.2° | 180.0° |
| C21 | C13 | C14 | H141 | 1.8° | 0.0° |
| C13 | C21 | H212 | H211 | 119.5° | 120.0° |
| O23 | C22 | C12 | C13 | 146.1° | 174.2° |
| O23 | C22 | C12 | C17 | 30.3° | 6.0° |
| C22 | O23 | C25 | H253 | 180.0° | 60.0° |
| C22 | O23 | C25 | H252 | 60.0° | 60.0° |
| C22 | O23 | C25 | H251 | 60.0° | 180.0° |
| C22 | C12 | C13 | C17 | 176.2° | 179.8° |
| C22 | C12 | C13 | C14 | 177.6° | 179.7° |
| C22 | C12 | C17 | C16 | 176.7° | 179.7° |
| C22 | C12 | C17 | H171 | 3.3° | 0.3° |
| N20 | C06 | N05 | N01 | 179.0° | 179.9° |
| N20 | C06 | N05 | C04 | 179.7° | 179.7° |
| N20 | C06 | N01 | C02 | 177.0° | 180.0° |
| C06 | N20 | H201 | H202 | 120.0° | 180.0° |
| C10 | C11 | N07 | H111 | 180.0° | 180.0° |
| C11 | C10 | C09 | C04 | 179.4° | 180.0° |
| C11 | C10 | C09 | N08 | 2.1° | 0.2° |
| C10 | C11 | N07 | N08 | 0.8° | 0.2° |
| C10 | C11 | N07 | C18 | 176.9° | 179.9° |
| C11 | C10 | C21 | H212 | 33.5° | 142.2° |
| C11 | C10 | C21 | H211 | 153.2° | 22.2° |
| C09 | C10 | C11 | N07 | 0.8° | 0.0° |
| C10 | C09 | C04 | N05 | 1.5° | 25.6° |
| C10 | C09 | C04 | N08 | 177.0° | 179.8° |
| C10 | C09 | C04 | C03 | 176.9° | 154.3° |
| C10 | C09 | N08 | N07 | 2.6° | 0.3° |
| C09 | C10 | C11 | H111 | 179.2° | 180.0° |
| C09 | C10 | C21 | H212 | 142.7° | 37.8° |
| C09 | C10 | C21 | H211 | 23.0° | 157.9° |
| C11 | N07 | N08 | C09 | 2.1° | 0.3° |
| C11 | N07 | N08 | C18 | 176.2° | 179.8° |
| C11 | N07 | C18 | H182 | 175.6° | 90.0° |
| C11 | N07 | C18 | H181 | 64.4° | 150.0° |
| C11 | N07 | C18 | H183 | 55.6° | 30.0° |
| C06 | N05 | C04 | C09 | 177.3° | 179.7° |
| C06 | N05 | C04 | C03 | 1.8° | 0.2° |
| N05 | C06 | N01 | C02 | 2.1° | 0.0° |
| N05 | C06 | N20 | H201 | 0.0° | 180.0° |
| N05 | C06 | N20 | H202 | 120.0° | 0.1° |
| C04 | N05 | C06 | N01 | 0.7° | 0.2° |
| N05 | C04 | C09 | C03 | 175.5° | 179.9° |
| N05 | C04 | C09 | N08 | 175.5° | 154.1° |
| N05 | C04 | C03 | C02 | 0.3° | 0.1° |
| N05 | C04 | C03 | H031 | 179.7° | 180.0° |
| C06 | N01 | C02 | C03 | 3.9° | 0.3° |
| C06 | N01 | C02 | CL19 | 177.3° | 180.0° |
| N01 | C06 | N20 | H201 | 179.0° | 0.0° |
| N01 | C06 | N20 | H202 | 61.0° | 180.0° |
| C04 | C09 | N08 | N07 | 179.9° | 179.9° |
| C09 | C04 | C03 | C02 | 175.9° | 180.0° |
| C09 | C04 | C03 | H031 | 4.1° | 0.1° |
| N08 | C09 | C04 | C03 | 0.1° | 26.0° |
| C09 | N08 | N07 | C18 | 178.3° | 179.8° |
| C04 | C03 | C02 | N01 | 2.8° | 0.3° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | CL19 | 176.2° | 180.0° |
| C12 | C13 | C14 | C15 | 2.0° | 0.0° |
| C13 | C12 | C17 | C16 | 0.2° | 0.0° |
| C12 | C13 | C14 | H141 | 178.0° | 180.0° |
| C13 | C12 | C17 | H171 | 179.8° | 180.0° |
| C12 | C13 | C21 | H212 | 24.6° | 54.4° |
| C12 | C13 | C21 | H211 | 144.2° | 65.6° |
| C14 | C13 | C12 | C17 | 1.4° | 0.1° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C13 | C14 | C15 | H151 | 178.6° | 179.9° |
| C14 | C13 | C21 | H212 | 159.3° | 125.7° |
| C14 | C13 | C21 | H211 | 39.6° | 114.3° |
| N08 | N07 | C18 | H182 | 0.0° | 89.8° |
| N08 | N07 | C18 | H181 | 120.0° | 30.2° |
| N08 | N07 | C18 | H183 | 120.0° | 150.2° |
| N08 | N07 | C11 | H111 | 179.3° | 179.8° |
| N07 | C18 | H182 | H181 | 120.0° | 120.0° |
| N07 | C18 | H182 | H183 | 120.0° | 120.0° |
| N07 | C18 | H181 | H183 | 120.0° | 120.0° |
| C18 | N07 | C11 | H111 | 3.2° | 0.0° |
| N01 | C02 | C03 | CL19 | 173.4° | 179.7° |
| N01 | C02 | C03 | H031 | 177.2° | 179.8° |
| C12 | C17 | C16 | H171 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.4° | 0.0° |
| C12 | C17 | C16 | H161 | 179.6° | 180.0° |
| CL19 | C02 | C03 | H031 | 3.8° | 0.1° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.9° |
| C14 | C15 | C16 | H161 | 179.8° | 180.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | H151 | 179.8° | 179.9° |
| C16 | C15 | C14 | H141 | 178.6° | 179.9° |
| C15 | C16 | C17 | H171 | 179.6° | 180.0° |
| H141 | C14 | C15 | H151 | 1.4° | 0.0° |
| H151 | C15 | C16 | H161 | 0.2° | 0.1° |
| H161 | C16 | C17 | H171 | 0.4° | 0.0° |
| H182 | C18 | H181 | H183 | 120.0° | 120.0° |
| H253 | C25 | H252 | H251 | 120.0° | 119.9° |
