W7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.55Å | 1.32Å | |
| C07 | C08 | sing | 1.55Å | 1.58Å | |
| C06 | C05 | sing | 1.54Å | 1.66Å | |
| C04 | C01 | sing | 1.54Å | 1.52Å | |
| C04 | C03 | sing | 1.54Å | 1.51Å | |
| C01 | C02 | sing | 1.54Å | 1.52Å | |
| C02 | C03 | sing | 1.54Å | 1.51Å | |
| C08 | N09 | sing | 1.48Å | 1.54Å | |
| C05 | C03 | sing | 1.53Å | 1.57Å | |
| C05 | N09 | sing | 1.47Å | 1.31Å | |
| N09 | C10 | sing | 1.38Å | 1.38Å | |
| C10 | N11 | doub | 1.33Å | 1.26Å | Aromatic |
| C10 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.42Å | Aromatic |
| C17 | C16 | doub | 1.34Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.32Å | 1.31Å | Aromatic |
| C18 | C14 | doub | 1.41Å | 1.36Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.32Å | Aromatic |
| C12 | N13 | doub | 1.32Å | 1.30Å | Aromatic |
| C14 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| C14 | N13 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 109.4° | 101.7° |
| C07 | C06 | C05 | 108.0° | 103.0° |
| C07 | C06 | H062 | 109.9° | 110.7° |
| C07 | C06 | H061 | 109.8° | 110.8° |
| C06 | C07 | H071 | 109.5° | 111.0° |
| C06 | C07 | H072 | 109.5° | 111.0° |
| C07 | C08 | N09 | 103.6° | 104.8° |
| C08 | C07 | H071 | 109.5° | 111.0° |
| C08 | C07 | H072 | 109.5° | 111.0° |
| C07 | C08 | H081 | 110.9° | 110.4° |
| C07 | C08 | H082 | 110.9° | 110.4° |
| C06 | C05 | C03 | 112.8° | 109.9° |
| C06 | C05 | N09 | 106.7° | 107.2° |
| C06 | C05 | H051 | 106.4° | 110.0° |
| C05 | C06 | H062 | 109.8° | 110.7° |
| C05 | C06 | H061 | 109.8° | 110.7° |
| C01 | C04 | C03 | 89.0° | 87.0° |
| C04 | C01 | C02 | 86.6° | 87.1° |
| C04 | C01 | H011 | 114.9° | 113.6° |
| C04 | C01 | H012 | 114.9° | 113.7° |
| C01 | C04 | H042 | 114.3° | 113.6° |
| C01 | C04 | H041 | 114.3° | 113.6° |
| C04 | C03 | C02 | 87.1° | 87.1° |
| C04 | C03 | C05 | 124.0° | 113.7° |
| C04 | C03 | H031 | 108.3° | 113.6° |
| C03 | C04 | H042 | 114.3° | 113.6° |
| C03 | C04 | H041 | 114.3° | 113.6° |
| C01 | C02 | C03 | 88.6° | 87.1° |
| C02 | C01 | H011 | 114.9° | 113.6° |
| C02 | C01 | H012 | 114.8° | 113.6° |
| C01 | C02 | H021 | 114.4° | 113.6° |
| C01 | C02 | H022 | 114.4° | 113.6° |
| C02 | C03 | C05 | 119.8° | 113.6° |
| C03 | C02 | H021 | 114.4° | 113.6° |
| C03 | C02 | H022 | 114.4° | 113.6° |
| C02 | C03 | H031 | 108.3° | 113.6° |
| C08 | N09 | C05 | 111.4° | 108.6° |
| C08 | N09 | C10 | 122.9° | 111.0° |
| N09 | C08 | H081 | 110.9° | 110.4° |
| N09 | C08 | H082 | 110.9° | 110.4° |
| C03 | C05 | N09 | 112.4° | 109.9° |
| C05 | C03 | H031 | 107.6° | 112.8° |
| C03 | C05 | H051 | 107.4° | 109.9° |
| C05 | N09 | C10 | 125.4° | 111.0° |
| N09 | C05 | H051 | 111.0° | 109.9° |
| N09 | C10 | N11 | 117.7° | 120.8° |
| N09 | C10 | C18 | 123.1° | 120.8° |
| N11 | C10 | C18 | 119.1° | 118.4° |
| C10 | N11 | C12 | 121.8° | 121.0° |
| C10 | C18 | C17 | 136.6° | 135.2° |
| C10 | C18 | C14 | 116.2° | 118.6° |
| C18 | C17 | C16 | 106.4° | 106.8° |
| C17 | C18 | C14 | 107.2° | 106.2° |
| C18 | C17 | H171 | 126.8° | 126.5° |
| C17 | C16 | N15 | 107.1° | 109.8° |
| C16 | C17 | H171 | 126.8° | 126.7° |
| C17 | C16 | H161 | 126.5° | 125.1° |
| N11 | C12 | N13 | 123.4° | 122.7° |
| N11 | C12 | H121 | 118.3° | 118.6° |
| C18 | C14 | N15 | 107.1° | 107.1° |
| C18 | C14 | N13 | 121.9° | 118.6° |
| C16 | N15 | C14 | 112.1° | 110.0° |
| N15 | C16 | H161 | 126.4° | 125.1° |
| C16 | N15 | H151 | 124.0° | 125.0° |
| C12 | N13 | C14 | 117.5° | 120.7° |
| N13 | C12 | H121 | 118.3° | 118.6° |
| N15 | C14 | N13 | 131.0° | 134.3° |
| C14 | N15 | H151 | 124.0° | 124.9° |
| H011 | C01 | H012 | 109.4° | 112.9° |
| H021 | C02 | H022 | 109.5° | 112.9° |
| H042 | C04 | H041 | 109.4° | 112.9° |
| H062 | C06 | H061 | 109.5° | 110.7° |
| H071 | C07 | H072 | 109.4° | 110.9° |
| H081 | C08 | H082 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H071 | 120.0° | 118.1° |
| C06 | C07 | C08 | H072 | 120.0° | 118.1° |
| C07 | C06 | C05 | H062 | 119.8° | 118.4° |
| C07 | C06 | C05 | H061 | 119.8° | 118.5° |
| C06 | C07 | C08 | N09 | 0.2° | 37.1° |
| C07 | C06 | C05 | C03 | 114.4° | 97.1° |
| C07 | C06 | C05 | N09 | 9.5° | 22.3° |
| C07 | C06 | C05 | H051 | 128.1° | 141.8° |
| C07 | C06 | H062 | H061 | 120.7° | 123.3° |
| C06 | C07 | H071 | H072 | 120.1° | 123.9° |
| C06 | C07 | C08 | H081 | 119.3° | 81.7° |
| C06 | C07 | C08 | H082 | 118.9° | 155.9° |
| C08 | C07 | C06 | C05 | 5.0° | 35.7° |
| C07 | C08 | N09 | H081 | 119.0° | 118.8° |
| C07 | C08 | N09 | H082 | 119.1° | 118.8° |
| C07 | C08 | N09 | C05 | 6.8° | 24.1° |
| C07 | C08 | N09 | C10 | 166.9° | 146.4° |
| C08 | C07 | C06 | H062 | 124.7° | 82.7° |
| C08 | C07 | C06 | H061 | 114.8° | 154.1° |
| C08 | C07 | H071 | H072 | 120.0° | 123.8° |
| C07 | C08 | H081 | H082 | 122.7° | 122.3° |
| C06 | C05 | C03 | C04 | 55.2° | 159.8° |
| C06 | C05 | C03 | C02 | 53.2° | 62.2° |
| C06 | C05 | N09 | C08 | 9.5° | 1.0° |
| C06 | C05 | C03 | N09 | 120.7° | 117.8° |
| C06 | C05 | C03 | H051 | 116.9° | 121.2° |
| C06 | C05 | N09 | H051 | 115.5° | 119.6° |
| C06 | C05 | N09 | C10 | 164.0° | 123.2° |
| C06 | C05 | C03 | H031 | 177.2° | 69.0° |
| C05 | C06 | H062 | H061 | 120.7° | 123.1° |
| C05 | C06 | C07 | H071 | 125.0° | 153.8° |
| C05 | C06 | C07 | H072 | 115.0° | 82.4° |
| C01 | C04 | C03 | H042 | 116.3° | 114.5° |
| C01 | C04 | C03 | H041 | 116.4° | 114.5° |
| C04 | C01 | C02 | H011 | 115.9° | 114.5° |
| C04 | C01 | C02 | H012 | 115.9° | 114.6° |
| C01 | C04 | C03 | C02 | 22.1° | 25.4° |
| C01 | C04 | C03 | C05 | 146.6° | 140.0° |
| C04 | C01 | H011 | H012 | 130.9° | 131.3° |
| C04 | C01 | C02 | H021 | 94.3° | 89.1° |
| C04 | C01 | C02 | H022 | 138.3° | 140.0° |
| C01 | C04 | C03 | H031 | 86.2° | 89.2° |
| C01 | C04 | H042 | H041 | 129.7° | 131.2° |
| C04 | C03 | C02 | C05 | 128.0° | 114.6° |
| C04 | C03 | C02 | H031 | 108.3° | 114.5° |
| C04 | C03 | C05 | H031 | 127.6° | 131.2° |
| C04 | C03 | C05 | N09 | 175.9° | 82.4° |
| C03 | C04 | C01 | H011 | 137.9° | 89.1° |
| C03 | C04 | C01 | H012 | 93.9° | 140.0° |
| C04 | C03 | C02 | H021 | 94.2° | 89.1° |
| C04 | C03 | C02 | H022 | 138.3° | 140.0° |
| C03 | C04 | H042 | H041 | 129.8° | 131.3° |
| C04 | C03 | C05 | H051 | 61.7° | 38.6° |
| C01 | C02 | C03 | H021 | 116.3° | 114.5° |
| C01 | C02 | C03 | H022 | 116.3° | 114.6° |
| C01 | C02 | C03 | C05 | 150.0° | 140.1° |
| C02 | C01 | H011 | H012 | 130.9° | 131.2° |
| C01 | C02 | H021 | H022 | 129.9° | 131.3° |
| C01 | C02 | C03 | H031 | 86.3° | 89.1° |
| C02 | C01 | C04 | H042 | 138.4° | 140.0° |
| C02 | C01 | C04 | H041 | 94.4° | 89.1° |
| C02 | C03 | C05 | H031 | 124.0° | 131.2° |
| C02 | C03 | C05 | N09 | 67.5° | 180.0° |
| C03 | C02 | C01 | H011 | 137.8° | 89.1° |
| C03 | C02 | C01 | H012 | 94.0° | 140.0° |
| C03 | C02 | H021 | H022 | 129.9° | 131.2° |
| C02 | C03 | C04 | H042 | 138.5° | 139.9° |
| C02 | C03 | C04 | H041 | 94.3° | 89.1° |
| C02 | C03 | C05 | H051 | 170.1° | 59.0° |
| C08 | N09 | C05 | C03 | 114.6° | 120.4° |
| C08 | N09 | C05 | C10 | 173.5° | 122.3° |
| C08 | N09 | C10 | N11 | 174.0° | 120.9° |
| C08 | N09 | C10 | C18 | 7.4° | 58.9° |
| C08 | N09 | C05 | H051 | 125.1° | 118.6° |
| N09 | C08 | C07 | H071 | 119.8° | 155.2° |
| N09 | C08 | C07 | H072 | 120.2° | 81.0° |
| N09 | C08 | H081 | H082 | 122.7° | 122.4° |
| C03 | C05 | N09 | H051 | 120.3° | 121.0° |
| C03 | C05 | N09 | C10 | 71.8° | 117.3° |
| C05 | C03 | C02 | H021 | 33.8° | 25.5° |
| C05 | C03 | C02 | H022 | 93.7° | 105.4° |
| C05 | C03 | C04 | H042 | 97.1° | 105.5° |
| C05 | C03 | C04 | H041 | 30.2° | 25.5° |
| C03 | C05 | C06 | H062 | 5.4° | 144.5° |
| C03 | C05 | C06 | H061 | 125.8° | 21.4° |
| C05 | N09 | C10 | N11 | 1.2° | 0.0° |
| C05 | N09 | C10 | C18 | 179.8° | 179.7° |
| N09 | C05 | C03 | H031 | 56.5° | 48.8° |
| N09 | C05 | C06 | H062 | 129.3° | 96.1° |
| N09 | C05 | C06 | H061 | 110.3° | 140.8° |
| C05 | N09 | C08 | H081 | 125.9° | 94.7° |
| C05 | N09 | C08 | H082 | 112.2° | 142.9° |
| N09 | C10 | N11 | C18 | 178.6° | 179.8° |
| N09 | C10 | C18 | C17 | 1.4° | 0.3° |
| N09 | C10 | N11 | C12 | 179.8° | 179.7° |
| N09 | C10 | C18 | C14 | 178.8° | 179.7° |
| C10 | N09 | C05 | H051 | 48.5° | 3.7° |
| C10 | N09 | C08 | H081 | 47.9° | 27.6° |
| C10 | N09 | C08 | H082 | 74.0° | 94.8° |
| N11 | C10 | C18 | C17 | 179.9° | 179.9° |
| N11 | C10 | C18 | C14 | 0.2° | 0.1° |
| C10 | N11 | C12 | N13 | 0.1° | 0.1° |
| C10 | N11 | C12 | H121 | 179.9° | 180.0° |
| C10 | C18 | C17 | C14 | 179.9° | 180.0° |
| C10 | C18 | C17 | C16 | 179.1° | 180.0° |
| C18 | C10 | N11 | C12 | 1.2° | 0.1° |
| C10 | C18 | C14 | N15 | 178.6° | 180.0° |
| C10 | C18 | C14 | N13 | 1.8° | 0.1° |
| C10 | C18 | C17 | H171 | 0.9° | 0.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C18 | C17 | C16 | N15 | 2.9° | 0.0° |
| C17 | C18 | C14 | N15 | 1.6° | 0.0° |
| C17 | C18 | C14 | N13 | 178.1° | 180.0° |
| C18 | C17 | C16 | H161 | 177.1° | 180.0° |
| C16 | C17 | C18 | C14 | 0.8° | 0.0° |
| C17 | C16 | N15 | H161 | 180.0° | 180.0° |
| C17 | C16 | N15 | C14 | 4.1° | 0.0° |
| C17 | C16 | N15 | H151 | 175.9° | 179.9° |
| N11 | C12 | N13 | H121 | 180.0° | 179.9° |
| N11 | C12 | N13 | C14 | 1.9° | 0.1° |
| C18 | C14 | N15 | C16 | 3.6° | 0.0° |
| C18 | C14 | N13 | C12 | 2.9° | 0.1° |
| C18 | C14 | N15 | N13 | 179.6° | 179.9° |
| C14 | C18 | C17 | H171 | 179.2° | 180.0° |
| C18 | C14 | N15 | H151 | 176.4° | 179.9° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | N13 | 176.0° | 180.0° |
| N15 | C16 | C17 | H171 | 177.1° | 180.0° |
| C12 | N13 | C14 | N15 | 177.6° | 180.0° |
| C14 | N15 | C16 | H161 | 175.9° | 180.0° |
| C14 | N13 | C12 | H121 | 178.1° | 180.0° |
| N13 | C14 | N15 | H151 | 4.0° | 0.0° |
| H171 | C17 | C16 | H161 | 2.9° | 0.0° |
| H011 | C01 | C02 | H021 | 21.5° | 156.4° |
| H011 | C01 | C02 | H022 | 105.9° | 25.4° |
| H011 | C01 | C04 | H042 | 105.7° | 25.4° |
| H011 | C01 | C04 | H041 | 21.5° | 156.3° |
| H012 | C01 | C02 | H021 | 149.8° | 25.5° |
| H012 | C01 | C02 | H022 | 22.4° | 105.4° |
| H012 | C01 | C04 | H042 | 22.5° | 105.5° |
| H012 | C01 | C04 | H041 | 149.7° | 25.5° |
| H021 | C02 | C03 | H031 | 157.4° | 156.4° |
| H022 | C02 | C03 | H031 | 30.0° | 25.5° |
| H031 | C03 | C04 | H042 | 30.2° | 25.4° |
| H031 | C03 | C04 | H041 | 157.5° | 156.3° |
| H031 | C03 | C05 | H051 | 65.9° | 169.8° |
| H051 | C05 | C06 | H062 | 112.1° | 23.4° |
| H051 | C05 | C06 | H061 | 8.3° | 99.7° |
| H062 | C06 | C07 | H071 | 115.3° | 35.4° |
| H062 | C06 | C07 | H072 | 4.7° | 159.2° |
| H061 | C06 | C07 | H071 | 5.2° | 87.8° |
| H061 | C06 | C07 | H072 | 125.2° | 36.0° |
| H071 | C07 | C08 | H081 | 0.7° | 36.4° |
| H071 | C07 | C08 | H082 | 121.1° | 86.0° |
| H072 | C07 | C08 | H081 | 120.7° | 160.1° |
| H072 | C07 | C08 | H082 | 1.1° | 37.8° |
| H161 | C16 | N15 | H151 | 4.1° | 0.1° |
