WY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N11 | C12 | sing | 1.46Å | 1.45Å | |
| N11 | C02 | sing | 1.35Å | 1.45Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C15 | N16 | sing | 1.47Å | 1.45Å | |
| N16 | C17 | sing | 1.39Å | 1.44Å | |
| C17 | N25 | doub | 1.33Å | 1.31Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| N19 | C18 | sing | 1.38Å | 1.35Å | Aromatic |
| N19 | C20 | sing | 1.35Å | 1.33Å | Aromatic |
| N25 | C24 | sing | 1.32Å | 1.32Å | Aromatic |
| C18 | C22 | doub | 1.40Å | 1.36Å | Aromatic |
| C20 | N21 | doub | 1.30Å | 1.34Å | Aromatic |
| C24 | N23 | doub | 1.31Å | 1.31Å | Aromatic |
| C22 | N21 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | N23 | sing | 1.34Å | 1.35Å | Aromatic |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 120.6° | 120.0° |
| C08 | C07 | C06 | 119.8° | 120.0° |
| C08 | C07 | H071 | 120.1° | 120.0° |
| C07 | C08 | H081 | 119.7° | 120.0° |
| C08 | C09 | C10 | 119.7° | 119.9° |
| C09 | C08 | H081 | 119.7° | 120.0° |
| C08 | C09 | H091 | 120.2° | 120.0° |
| C07 | C06 | C05 | 119.4° | 120.0° |
| C07 | C06 | H061 | 120.3° | 120.0° |
| C06 | C07 | H071 | 120.1° | 120.0° |
| C09 | C10 | C05 | 119.5° | 120.0° |
| C09 | C10 | H101 | 120.2° | 120.0° |
| C10 | C09 | H091 | 120.2° | 120.1° |
| C06 | C05 | C10 | 121.0° | 120.0° |
| C06 | C05 | C04 | 120.2° | 120.0° |
| C05 | C06 | H061 | 120.3° | 120.0° |
| C10 | C05 | C04 | 118.8° | 120.0° |
| C05 | C10 | H101 | 120.3° | 120.0° |
| C05 | C04 | C03 | 108.6° | 109.5° |
| C05 | C04 | H042 | 109.7° | 109.4° |
| C05 | C04 | H041 | 109.7° | 109.6° |
| C04 | C03 | C02 | 115.2° | 109.5° |
| C04 | C03 | H031 | 108.0° | 109.5° |
| C04 | C03 | H032 | 108.0° | 109.5° |
| C03 | C04 | H042 | 109.7° | 109.4° |
| C03 | C04 | H041 | 109.7° | 109.5° |
| C14 | C13 | C12 | 114.3° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.4° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.5° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C12 | N11 | 113.9° | 109.5° |
| C13 | C12 | C15 | 108.9° | 109.4° |
| C12 | C13 | H131 | 108.2° | 109.5° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C12 | N11 | C02 | 119.4° | 120.0° |
| N11 | C12 | C15 | 107.4° | 109.5° |
| N11 | C12 | H121 | 109.6° | 109.5° |
| C12 | N11 | H111 | 120.3° | 120.0° |
| N11 | C02 | C03 | 120.2° | 120.0° |
| N11 | C02 | O01 | 121.3° | 120.0° |
| C02 | N11 | H111 | 120.3° | 120.0° |
| C03 | C02 | O01 | 118.5° | 120.0° |
| C02 | C03 | H031 | 108.0° | 109.5° |
| C02 | C03 | H032 | 108.0° | 109.5° |
| C12 | C15 | N16 | 110.8° | 109.4° |
| C12 | C15 | H152 | 109.2° | 109.4° |
| C12 | C15 | H151 | 109.1° | 109.5° |
| C15 | C12 | H121 | 108.4° | 109.4° |
| C15 | N16 | C17 | 120.4° | 120.0° |
| N16 | C15 | H152 | 109.2° | 109.5° |
| N16 | C15 | H151 | 109.1° | 109.5° |
| C15 | N16 | H161 | 106.7° | 120.0° |
| N16 | C17 | N25 | 119.9° | 120.7° |
| N16 | C17 | C18 | 121.0° | 120.8° |
| C17 | N16 | H161 | 106.7° | 120.0° |
| N25 | C17 | C18 | 119.1° | 118.5° |
| C17 | N25 | C24 | 120.6° | 121.1° |
| C17 | C18 | N19 | 134.2° | 135.3° |
| C17 | C18 | C22 | 117.9° | 118.6° |
| C18 | N19 | C20 | 107.7° | 107.2° |
| N19 | C18 | C22 | 107.8° | 106.1° |
| C18 | N19 | H191 | 126.2° | 126.4° |
| N19 | C20 | N21 | 109.5° | 110.1° |
| N19 | C20 | H201 | 125.3° | 124.9° |
| C20 | N19 | H191 | 126.2° | 126.4° |
| N25 | C24 | N23 | 122.9° | 122.5° |
| N25 | C24 | H241 | 118.6° | 118.8° |
| C18 | C22 | N21 | 107.4° | 106.8° |
| C18 | C22 | N23 | 119.9° | 118.7° |
| C20 | N21 | C22 | 107.5° | 109.8° |
| N21 | C20 | H201 | 125.2° | 124.9° |
| C24 | N23 | C22 | 119.6° | 120.5° |
| N23 | C24 | H241 | 118.6° | 118.7° |
| N21 | C22 | N23 | 132.6° | 134.5° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H081 | 180.0° | 179.8° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.4° | 0.5° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C06 | H061 | 179.5° | 180.0° |
| C07 | C08 | C09 | H091 | 179.6° | 180.0° |
| C09 | C08 | C07 | C06 | 0.3° | 0.3° |
| C08 | C09 | C10 | H091 | 180.0° | 179.5° |
| C08 | C09 | C10 | C05 | 0.6° | 0.5° |
| C08 | C09 | C10 | H101 | 179.5° | 179.8° |
| C09 | C08 | C07 | H071 | 179.7° | 179.8° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.6° | 0.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C06 | C07 | C08 | H081 | 179.6° | 179.9° |
| C09 | C10 | C05 | C06 | 0.7° | 0.2° |
| C09 | C10 | C05 | H101 | 180.0° | 179.7° |
| C09 | C10 | C05 | C04 | 179.9° | 179.8° |
| C10 | C09 | C08 | H081 | 179.6° | 179.7° |
| C06 | C05 | C10 | C04 | 179.2° | 180.0° |
| C06 | C05 | C04 | C03 | 85.3° | 90.0° |
| C06 | C05 | C10 | H101 | 179.3° | 180.0° |
| C06 | C05 | C04 | H042 | 34.6° | 150.0° |
| C06 | C05 | C04 | H041 | 154.8° | 30.0° |
| C05 | C06 | C07 | H071 | 179.5° | 180.0° |
| C10 | C05 | C04 | C03 | 93.9° | 90.0° |
| C10 | C05 | C04 | H042 | 146.2° | 29.9° |
| C10 | C05 | C04 | H041 | 26.0° | 150.0° |
| C10 | C05 | C06 | H061 | 179.3° | 180.0° |
| C05 | C10 | C09 | H091 | 179.5° | 180.0° |
| C05 | C04 | C03 | H042 | 119.9° | 119.9° |
| C05 | C04 | C03 | H041 | 119.9° | 120.1° |
| C05 | C04 | C03 | C02 | 90.5° | 179.9° |
| C04 | C05 | C10 | H101 | 0.1° | 0.1° |
| C05 | C04 | C03 | H031 | 148.6° | 60.0° |
| C05 | C04 | C03 | H032 | 30.3° | 60.0° |
| C05 | C04 | H042 | H041 | 120.4° | 120.1° |
| C04 | C05 | C06 | H061 | 0.1° | 0.1° |
| C04 | C03 | C02 | N11 | 30.8° | 180.0° |
| C04 | C03 | C02 | H031 | 120.9° | 120.0° |
| C04 | C03 | C02 | H032 | 120.8° | 120.0° |
| C04 | C03 | C02 | O01 | 148.3° | 0.0° |
| C04 | C03 | H031 | H032 | 117.4° | 120.0° |
| C03 | C04 | H042 | H041 | 120.4° | 120.0° |
| C14 | C13 | C12 | H131 | 120.7° | 120.0° |
| C14 | C13 | C12 | H132 | 120.7° | 120.0° |
| C14 | C13 | C12 | N11 | 75.1° | 65.0° |
| C14 | C13 | C12 | C15 | 165.2° | 175.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H143 | H141 | 120.0° | 120.1° |
| C14 | C13 | H131 | H132 | 117.8° | 120.0° |
| C14 | C13 | C12 | H121 | 47.4° | 55.0° |
| C13 | C12 | N11 | C15 | 120.6° | 120.0° |
| C13 | C12 | N11 | H121 | 121.9° | 120.0° |
| C13 | C12 | N11 | C02 | 112.9° | 85.0° |
| C13 | C12 | C15 | H121 | 118.0° | 120.0° |
| C13 | C12 | C15 | N16 | 166.6° | 175.0° |
| C13 | C12 | C15 | H152 | 73.2° | 65.0° |
| C13 | C12 | C15 | H151 | 46.4° | 55.0° |
| C12 | C13 | C14 | H142 | 180.0° | 60.0° |
| C12 | C13 | C14 | H143 | 60.0° | 180.0° |
| C12 | C13 | C14 | H141 | 60.0° | 60.0° |
| C12 | C13 | H131 | H132 | 117.8° | 120.0° |
| C13 | C12 | N11 | H111 | 67.1° | 95.0° |
| C12 | N11 | C02 | H111 | 180.0° | 179.9° |
| C12 | N11 | C02 | C03 | 177.4° | 180.0° |
| N11 | C12 | C15 | H121 | 118.3° | 120.0° |
| C12 | N11 | C02 | O01 | 3.6° | 0.0° |
| N11 | C12 | C15 | N16 | 42.8° | 55.0° |
| N11 | C12 | C15 | H152 | 163.1° | 175.0° |
| N11 | C12 | C15 | H151 | 77.4° | 65.0° |
| N11 | C12 | C13 | H131 | 164.3° | 175.0° |
| N11 | C12 | C13 | H132 | 45.7° | 55.0° |
| N11 | C02 | C03 | O01 | 179.1° | 180.0° |
| C02 | N11 | C12 | C15 | 126.5° | 155.0° |
| C02 | N11 | C12 | H121 | 9.0° | 35.0° |
| N11 | C02 | C03 | H031 | 90.1° | 60.0° |
| N11 | C02 | C03 | H032 | 151.6° | 60.0° |
| C02 | C03 | H031 | H032 | 117.4° | 120.0° |
| C02 | C03 | C04 | H042 | 29.4° | 60.0° |
| C02 | C03 | C04 | H041 | 149.6° | 60.0° |
| C03 | C02 | N11 | H111 | 2.6° | 0.0° |
| C12 | C15 | N16 | H152 | 120.2° | 119.9° |
| C12 | C15 | N16 | H151 | 120.2° | 120.0° |
| C12 | C15 | N16 | C17 | 85.1° | 180.0° |
| C12 | C15 | H152 | H151 | 119.4° | 120.0° |
| C15 | C12 | C13 | H131 | 44.5° | 55.0° |
| C15 | C12 | C13 | H132 | 74.1° | 65.0° |
| C15 | C12 | N11 | H111 | 53.5° | 24.9° |
| C12 | C15 | N16 | H161 | 153.4° | 0.0° |
| O01 | C02 | C03 | H031 | 90.8° | 120.0° |
| O01 | C02 | C03 | H032 | 27.5° | 120.0° |
| O01 | C02 | N11 | H111 | 176.4° | 179.9° |
| C15 | N16 | C17 | H161 | 121.5° | 180.0° |
| C15 | N16 | C17 | N25 | 6.0° | 0.0° |
| C15 | N16 | C17 | C18 | 172.3° | 180.0° |
| N16 | C15 | H152 | H151 | 119.4° | 120.1° |
| N16 | C15 | C12 | H121 | 75.5° | 65.0° |
| N16 | C17 | N25 | C18 | 178.4° | 180.0° |
| N16 | C17 | C18 | N19 | 0.5° | 0.3° |
| N16 | C17 | N25 | C24 | 179.0° | 180.0° |
| N16 | C17 | C18 | C22 | 178.7° | 180.0° |
| C17 | N16 | C15 | H152 | 35.2° | 60.0° |
| C17 | N16 | C15 | H151 | 154.7° | 60.0° |
| N25 | C17 | C18 | N19 | 178.9° | 179.7° |
| N25 | C17 | C18 | C22 | 0.3° | 0.0° |
| C17 | N25 | C24 | N23 | 0.3° | 0.0° |
| C17 | N25 | C24 | H241 | 179.7° | 180.0° |
| N25 | C17 | N16 | H161 | 127.6° | 180.0° |
| C17 | C18 | N19 | C22 | 179.2° | 179.7° |
| C17 | C18 | N19 | C20 | 179.9° | 179.7° |
| C18 | C17 | N25 | C24 | 0.6° | 0.0° |
| C17 | C18 | C22 | N21 | 179.5° | 180.0° |
| C17 | C18 | C22 | N23 | 0.3° | 0.0° |
| C18 | C17 | N16 | H161 | 50.8° | 0.1° |
| C17 | C18 | N19 | H191 | 0.1° | 0.2° |
| C18 | N19 | C20 | H191 | 180.0° | 180.0° |
| C18 | N19 | C20 | N21 | 0.9° | 0.2° |
| N19 | C18 | C22 | N21 | 0.1° | 0.2° |
| N19 | C18 | C22 | N23 | 179.7° | 179.7° |
| C18 | N19 | C20 | H201 | 179.1° | 179.9° |
| C20 | N19 | C18 | C22 | 0.6° | 0.0° |
| N19 | C20 | N21 | H201 | 180.0° | 179.7° |
| N19 | C20 | N21 | C22 | 0.8° | 0.3° |
| N25 | C24 | N23 | H241 | 180.0° | 180.0° |
| N25 | C24 | N23 | C22 | 0.4° | 0.1° |
| C18 | C22 | N21 | C20 | 0.4° | 0.3° |
| C18 | C22 | N23 | C24 | 0.7° | 0.1° |
| C18 | C22 | N21 | N23 | 179.8° | 179.9° |
| C22 | C18 | N19 | H191 | 179.4° | 180.0° |
| C20 | N21 | C22 | N23 | 179.8° | 179.6° |
| N21 | C20 | N19 | H191 | 179.1° | 179.8° |
| C24 | N23 | C22 | N21 | 179.1° | 180.0° |
| C22 | N21 | C20 | H201 | 179.1° | 179.9° |
| C22 | N23 | C24 | H241 | 179.6° | 180.0° |
| H152 | C15 | C12 | H121 | 44.8° | 54.9° |
| H152 | C15 | N16 | H161 | 86.4° | 119.9° |
| H151 | C15 | C12 | H121 | 164.3° | 175.0° |
| H151 | C15 | N16 | H161 | 33.2° | 120.0° |
| H142 | C14 | H143 | H141 | 120.0° | 119.9° |
| H142 | C14 | C13 | H131 | 59.3° | 180.0° |
| H142 | C14 | C13 | H132 | 59.3° | 60.0° |
| H143 | C14 | C13 | H131 | 60.7° | 60.1° |
| H143 | C14 | C13 | H132 | 179.3° | 60.0° |
| H141 | C14 | C13 | H131 | 179.3° | 60.0° |
| H141 | C14 | C13 | H132 | 60.7° | 179.9° |
| H131 | C13 | C12 | H121 | 73.3° | 65.0° |
| H132 | C13 | C12 | H121 | 168.1° | 175.0° |
| H121 | C12 | N11 | H111 | 171.0° | 144.9° |
| H101 | C10 | C09 | H091 | 0.5° | 0.3° |
| H201 | C20 | N19 | H191 | 0.9° | 0.1° |
| H031 | C03 | C04 | H042 | 91.5° | 180.0° |
| H031 | C03 | C04 | H041 | 28.7° | 60.1° |
| H032 | C03 | C04 | H042 | 150.2° | 60.0° |
| H032 | C03 | C04 | H041 | 89.6° | 180.0° |
| H061 | C06 | C07 | H071 | 0.5° | 0.1° |
| H071 | C07 | C08 | H081 | 0.4° | 0.0° |
| H081 | C08 | C09 | H091 | 0.4° | 0.2° |
