VY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N06 | sing | 1.47Å | 1.50Å | |
| C08 | N06 | sing | 1.47Å | 1.52Å | |
| N06 | C05 | sing | 1.47Å | 1.50Å | |
| S01 | C02 | doub | 1.71Å | 1.67Å | |
| C05 | C04 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | N09 | sing | 1.35Å | 1.38Å | |
| C02 | N03 | sing | 1.35Å | 1.40Å | |
| N09 | C10 | sing | 1.40Å | 1.42Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N03 | C04 | sing | 1.46Å | 1.49Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.38Å | |
| O12 | C13 | sing | 1.43Å | 1.40Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N06 | C08 | 107.6° | 111.0° |
| C07 | N06 | C05 | 112.0° | 111.0° |
| N06 | C07 | H071 | 109.5° | 109.4° |
| N06 | C07 | H073 | 109.5° | 109.5° |
| N06 | C07 | H072 | 109.5° | 109.4° |
| C08 | N06 | C05 | 112.0° | 111.0° |
| N06 | C08 | H083 | 109.5° | 109.4° |
| N06 | C08 | H081 | 109.5° | 109.5° |
| N06 | C08 | H082 | 109.4° | 109.5° |
| N06 | C05 | C04 | 109.6° | 109.5° |
| N06 | C05 | H052 | 109.4° | 109.5° |
| N06 | C05 | H051 | 109.4° | 109.5° |
| S01 | C02 | N09 | 122.9° | 120.0° |
| S01 | C02 | N03 | 119.4° | 120.0° |
| C05 | C04 | N03 | 111.6° | 109.5° |
| C05 | C04 | H041 | 108.9° | 109.4° |
| C05 | C04 | H042 | 108.9° | 109.4° |
| C04 | C05 | H052 | 109.4° | 109.5° |
| C04 | C05 | H051 | 109.4° | 109.4° |
| C16 | C17 | C10 | 122.4° | 120.0° |
| C17 | C16 | C15 | 119.8° | 120.2° |
| C16 | C17 | H171 | 118.8° | 120.0° |
| C17 | C16 | H161 | 120.1° | 119.9° |
| C17 | C10 | N09 | 121.2° | 120.1° |
| C17 | C10 | C11 | 117.3° | 119.8° |
| C10 | C17 | H171 | 118.8° | 120.0° |
| N09 | C02 | N03 | 117.7° | 120.1° |
| C02 | N09 | C10 | 123.9° | 120.0° |
| C02 | N09 | H091 | 118.0° | 119.9° |
| C02 | N03 | C04 | 123.0° | 120.0° |
| C02 | N03 | H031 | 118.5° | 120.0° |
| N09 | C10 | C11 | 121.5° | 120.1° |
| C10 | N09 | H091 | 118.1° | 120.0° |
| C16 | C15 | C14 | 119.5° | 120.2° |
| C16 | C15 | H151 | 120.3° | 119.9° |
| C15 | C16 | H161 | 120.1° | 119.9° |
| N03 | C04 | H041 | 108.9° | 109.5° |
| N03 | C04 | H042 | 108.9° | 109.5° |
| C04 | N03 | H031 | 118.5° | 120.0° |
| C10 | C11 | C14 | 120.4° | 119.9° |
| C10 | C11 | O12 | 117.5° | 120.0° |
| C15 | C14 | C11 | 120.6° | 120.0° |
| C14 | C15 | H151 | 120.3° | 119.9° |
| C15 | C14 | H141 | 119.7° | 120.0° |
| C14 | C11 | O12 | 122.0° | 120.1° |
| C11 | C14 | H141 | 119.7° | 120.0° |
| C11 | O12 | C13 | 119.0° | 117.0° |
| O12 | C13 | H133 | 109.5° | 109.5° |
| O12 | C13 | H131 | 109.5° | 109.5° |
| O12 | C13 | H132 | 109.5° | 109.5° |
| H133 | C13 | H131 | 109.4° | 109.4° |
| H133 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.4° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.4° | 109.4° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | N06 | C08 | C05 | 123.5° | 124.0° |
| C07 | N06 | C05 | C04 | 109.5° | 170.0° |
| C07 | N06 | C05 | H052 | 130.5° | 49.9° |
| C07 | N06 | C05 | H051 | 10.6° | 70.0° |
| N06 | C07 | H071 | H073 | 120.0° | 120.0° |
| N06 | C07 | H071 | H072 | 120.0° | 119.9° |
| N06 | C07 | H073 | H072 | 120.0° | 120.0° |
| C07 | N06 | C08 | H083 | 180.0° | 60.0° |
| C07 | N06 | C08 | H081 | 60.0° | 180.0° |
| C07 | N06 | C08 | H082 | 60.0° | 60.0° |
| C08 | N06 | C05 | C04 | 129.6° | 66.0° |
| C08 | N06 | C05 | H052 | 9.6° | 174.0° |
| C08 | N06 | C05 | H051 | 110.4° | 54.0° |
| C08 | N06 | C07 | H071 | 180.0° | 56.0° |
| C08 | N06 | C07 | H073 | 60.0° | 176.0° |
| C08 | N06 | C07 | H072 | 60.0° | 63.9° |
| N06 | C08 | H083 | H081 | 120.0° | 119.9° |
| N06 | C08 | H083 | H082 | 120.0° | 120.0° |
| N06 | C08 | H081 | H082 | 120.0° | 120.0° |
| N06 | C05 | C04 | H052 | 120.0° | 120.0° |
| N06 | C05 | C04 | H051 | 120.0° | 120.0° |
| N06 | C05 | C04 | N03 | 77.7° | 180.0° |
| N06 | C05 | C04 | H041 | 42.6° | 60.0° |
| N06 | C05 | C04 | H042 | 162.0° | 60.0° |
| N06 | C05 | H052 | H051 | 119.9° | 120.0° |
| C05 | N06 | C07 | H071 | 56.6° | 180.0° |
| C05 | N06 | C07 | H073 | 63.4° | 60.0° |
| C05 | N06 | C07 | H072 | 176.5° | 60.1° |
| C05 | N06 | C08 | H083 | 56.5° | 64.0° |
| C05 | N06 | C08 | H081 | 176.5° | 56.0° |
| C05 | N06 | C08 | H082 | 63.5° | 176.0° |
| S01 | C02 | N09 | N03 | 179.6° | 179.9° |
| S01 | C02 | N09 | C10 | 179.6° | 5.5° |
| S01 | C02 | N03 | C04 | 0.1° | 0.0° |
| S01 | C02 | N03 | H031 | 179.9° | 179.9° |
| S01 | C02 | N09 | H091 | 0.4° | 174.6° |
| C05 | C04 | N03 | C02 | 96.9° | 179.9° |
| C05 | C04 | N03 | H041 | 120.3° | 119.9° |
| C05 | C04 | N03 | H042 | 120.3° | 120.0° |
| C05 | C04 | H041 | H042 | 119.0° | 120.0° |
| C04 | C05 | H052 | H051 | 120.0° | 120.0° |
| C05 | C04 | N03 | H031 | 83.2° | 0.0° |
| C16 | C17 | C10 | H171 | 180.0° | 179.9° |
| C16 | C17 | C10 | N09 | 180.0° | 179.7° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C16 | C17 | C10 | C11 | 0.5° | 0.1° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| C17 | C10 | N09 | C02 | 86.2° | 44.3° |
| C17 | C10 | N09 | C11 | 179.5° | 179.8° |
| C10 | C17 | C16 | C15 | 0.1° | 0.1° |
| C17 | C10 | C11 | C14 | 0.8° | 0.0° |
| C17 | C10 | C11 | O12 | 179.5° | 180.0° |
| C10 | C17 | C16 | H161 | 179.9° | 180.0° |
| C17 | C10 | N09 | H091 | 93.8° | 135.7° |
| C02 | N09 | C10 | H091 | 180.0° | 180.0° |
| N09 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | N09 | C10 | C11 | 93.3° | 136.0° |
| N09 | C02 | N03 | H031 | 0.3° | 0.1° |
| N03 | C02 | N09 | C10 | 0.0° | 174.5° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | H041 | 23.4° | 60.0° |
| C02 | N03 | C04 | H042 | 142.8° | 60.1° |
| N03 | C02 | N09 | H091 | 180.0° | 5.5° |
| N09 | C10 | C11 | C14 | 179.7° | 179.7° |
| N09 | C10 | C11 | O12 | 1.0° | 0.2° |
| N09 | C10 | C17 | H171 | 0.0° | 0.2° |
| C16 | C15 | C14 | H151 | 180.0° | 179.9° |
| C16 | C15 | C14 | C11 | 0.5° | 0.1° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C14 | H141 | 179.6° | 180.0° |
| N03 | C04 | H041 | H042 | 119.0° | 120.1° |
| N03 | C04 | C05 | H052 | 162.3° | 60.0° |
| N03 | C04 | C05 | H051 | 42.3° | 60.0° |
| C10 | C11 | C14 | C15 | 0.8° | 0.0° |
| C10 | C11 | C14 | O12 | 178.6° | 179.9° |
| C10 | C11 | O12 | C13 | 161.7° | 180.0° |
| C11 | C10 | C17 | H171 | 179.5° | 180.0° |
| C10 | C11 | C14 | H141 | 179.2° | 180.0° |
| C11 | C10 | N09 | H091 | 86.7° | 44.1° |
| C15 | C14 | C11 | H141 | 180.0° | 179.9° |
| C15 | C14 | C11 | O12 | 179.4° | 180.0° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C14 | C11 | O12 | C13 | 19.7° | 0.1° |
| C11 | C14 | C15 | H151 | 179.5° | 180.0° |
| C11 | O12 | C13 | H133 | 180.0° | 179.9° |
| C11 | O12 | C13 | H131 | 60.0° | 60.0° |
| C11 | O12 | C13 | H132 | 60.0° | 60.0° |
| O12 | C11 | C14 | H141 | 0.6° | 0.1° |
| O12 | C13 | H133 | H131 | 120.0° | 120.0° |
| O12 | C13 | H133 | H132 | 120.0° | 120.1° |
| O12 | C13 | H131 | H132 | 120.0° | 120.0° |
| H133 | C13 | H131 | H132 | 120.0° | 120.0° |
| H151 | C15 | C14 | H141 | 0.4° | 0.1° |
| H151 | C15 | C16 | H161 | 0.1° | 0.0° |
| H171 | C17 | C16 | H161 | 0.1° | 0.0° |
| H041 | C04 | C05 | H052 | 77.4° | 60.0° |
| H041 | C04 | C05 | H051 | 162.6° | 180.0° |
| H041 | C04 | N03 | H031 | 156.5° | 119.9° |
| H042 | C04 | C05 | H052 | 42.0° | 180.0° |
| H042 | C04 | C05 | H051 | 78.0° | 60.1° |
| H042 | C04 | N03 | H031 | 37.2° | 120.0° |
| H071 | C07 | H073 | H072 | 120.0° | 120.0° |
| H083 | C08 | H081 | H082 | 120.0° | 120.1° |
