A1DG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | doub | 1.21Å | 1.24Å | |
| C15 | C14 | sing | 1.54Å | 1.50Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.56Å | |
| C13 | C17 | sing | 1.54Å | 1.56Å | |
| C13 | N12 | sing | 1.47Å | 1.53Å | |
| C17 | C16 | sing | 1.55Å | 1.54Å | |
| N19 | C20 | sing | 1.35Å | 1.43Å | |
| N19 | C18 | sing | 1.39Å | 1.39Å | |
| C20 | C08 | sing | 1.50Å | 1.50Å | |
| N12 | C18 | sing | 1.34Å | 1.43Å | Aromatic |
| N12 | N11 | sing | 1.41Å | 1.38Å | Aromatic |
| C18 | C09 | doub | 1.37Å | 1.43Å | Aromatic |
| C08 | C07 | sing | 1.54Å | 1.52Å | |
| N11 | C10 | doub | 1.31Å | 1.35Å | Aromatic |
| C09 | C07 | sing | 1.51Å | 1.49Å | |
| C09 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.57Å | |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.37Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | N19 | 115.3° | 118.9° |
| O21 | C20 | C08 | 121.4° | 118.8° |
| C14 | C15 | C16 | 105.0° | 104.2° |
| C15 | C14 | C13 | 106.0° | 106.6° |
| C14 | C15 | H151 | 110.6° | 110.5° |
| C14 | C15 | H152 | 110.6° | 110.5° |
| C15 | C14 | H141 | 110.3° | 110.0° |
| C15 | C14 | H142 | 110.4° | 110.0° |
| C15 | C16 | C17 | 104.3° | 102.7° |
| C16 | C15 | H151 | 110.6° | 110.4° |
| C16 | C15 | H152 | 110.6° | 110.5° |
| C15 | C16 | H162 | 110.8° | 110.7° |
| C15 | C16 | H161 | 110.7° | 110.7° |
| C14 | C13 | C17 | 105.3° | 106.6° |
| C14 | C13 | N12 | 111.0° | 110.0° |
| C14 | C13 | H131 | 108.0° | 110.0° |
| C13 | C14 | H141 | 110.3° | 110.0° |
| C13 | C14 | H142 | 110.3° | 110.1° |
| C17 | C13 | N12 | 115.8° | 110.0° |
| C13 | C17 | C16 | 106.0° | 104.2° |
| C17 | C13 | H131 | 108.0° | 110.1° |
| C13 | C17 | H172 | 110.3° | 110.5° |
| C13 | C17 | H171 | 110.3° | 110.4° |
| C13 | N12 | C18 | 133.2° | 126.1° |
| C13 | N12 | N11 | 118.8° | 126.1° |
| N12 | C13 | H131 | 108.4° | 110.0° |
| C16 | C17 | H172 | 110.4° | 110.5° |
| C16 | C17 | H171 | 110.3° | 110.5° |
| C17 | C16 | H162 | 110.7° | 110.8° |
| C17 | C16 | H161 | 110.8° | 110.7° |
| C20 | N19 | C18 | 114.0° | 118.0° |
| N19 | C20 | C08 | 123.3° | 122.3° |
| C20 | N19 | H191 | 123.0° | 121.0° |
| N19 | C18 | N12 | 130.4° | 130.5° |
| N19 | C18 | C09 | 120.6° | 121.8° |
| C18 | N19 | H191 | 123.0° | 121.0° |
| C20 | C08 | C07 | 116.1° | 111.3° |
| C20 | C08 | H082 | 107.8° | 109.1° |
| C20 | C08 | H081 | 107.8° | 109.1° |
| C18 | N12 | N11 | 108.1° | 107.8° |
| N12 | C18 | C09 | 109.0° | 107.7° |
| N12 | N11 | C10 | 106.6° | 108.4° |
| C18 | C09 | C07 | 127.2° | 122.3° |
| C18 | C09 | C10 | 101.8° | 107.9° |
| C08 | C07 | C09 | 104.3° | 108.3° |
| C08 | C07 | C06 | 112.0° | 109.7° |
| C08 | C07 | H071 | 106.1° | 109.6° |
| C07 | C08 | H082 | 107.8° | 109.3° |
| C07 | C08 | H081 | 107.8° | 109.0° |
| N11 | C10 | C09 | 114.5° | 108.2° |
| N11 | C10 | H101 | 122.7° | 125.9° |
| C07 | C09 | C10 | 130.9° | 129.8° |
| C09 | C07 | C06 | 121.4° | 109.9° |
| C09 | C07 | H071 | 106.4° | 109.6° |
| C09 | C10 | H101 | 122.8° | 125.9° |
| C07 | C06 | C05 | 122.9° | 120.0° |
| C07 | C06 | C22 | 121.8° | 119.9° |
| C06 | C07 | H071 | 105.6° | 109.7° |
| C05 | C06 | C22 | 115.3° | 120.1° |
| C06 | C05 | C04 | 121.7° | 120.1° |
| C06 | C05 | H051 | 119.2° | 119.9° |
| C06 | C22 | C02 | 123.2° | 119.9° |
| C06 | C22 | H221 | 118.4° | 120.0° |
| C05 | C04 | C03 | 121.8° | 120.1° |
| C05 | C04 | H041 | 119.1° | 120.0° |
| C04 | C05 | H051 | 119.1° | 119.9° |
| C04 | C03 | C02 | 117.5° | 119.9° |
| C04 | C03 | H031 | 121.2° | 120.0° |
| C03 | C04 | H041 | 119.1° | 120.0° |
| C22 | C02 | C03 | 120.4° | 119.9° |
| C22 | C02 | O01 | 119.7° | 120.1° |
| C02 | C22 | H221 | 118.4° | 120.0° |
| C03 | C02 | O01 | 119.9° | 120.0° |
| C02 | C03 | H031 | 121.3° | 120.0° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| H151 | C15 | H152 | 109.5° | 110.5° |
| H172 | C17 | H171 | 109.5° | 110.6° |
| H082 | C08 | H081 | 109.5° | 109.1° |
| H141 | C14 | H142 | 109.5° | 110.1° |
| H162 | C16 | H161 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | N19 | C08 | 179.6° | 179.7° |
| O21 | C20 | N19 | C18 | 179.5° | 173.7° |
| O21 | C20 | C08 | C07 | 147.1° | 143.6° |
| O21 | C20 | C08 | H082 | 26.1° | 95.7° |
| O21 | C20 | C08 | H081 | 92.0° | 23.3° |
| O21 | C20 | N19 | H191 | 0.5° | 6.2° |
| C14 | C15 | C16 | H151 | 119.3° | 118.7° |
| C14 | C15 | C16 | H152 | 119.3° | 118.7° |
| C15 | C14 | C13 | H141 | 119.4° | 119.3° |
| C15 | C14 | C13 | H142 | 119.5° | 119.3° |
| C15 | C14 | C13 | C17 | 15.8° | 0.0° |
| C15 | C14 | C13 | N12 | 141.9° | 119.3° |
| C14 | C15 | C16 | C17 | 37.2° | 38.0° |
| C15 | C14 | C13 | H131 | 99.4° | 119.3° |
| C14 | C15 | H151 | H152 | 122.1° | 122.6° |
| C15 | C14 | H141 | H142 | 121.6° | 121.4° |
| C14 | C15 | C16 | H162 | 156.4° | 80.4° |
| C14 | C15 | C16 | H161 | 82.0° | 156.2° |
| C16 | C15 | C14 | C13 | 32.9° | 23.6° |
| C15 | C16 | C17 | C13 | 26.8° | 38.0° |
| C15 | C16 | C17 | H162 | 119.2° | 118.3° |
| C15 | C16 | C17 | H161 | 119.2° | 118.3° |
| C16 | C15 | H151 | H152 | 122.0° | 122.6° |
| C15 | C16 | C17 | H172 | 146.3° | 80.7° |
| C15 | C16 | C17 | H171 | 92.7° | 156.6° |
| C16 | C15 | C14 | H141 | 86.5° | 95.7° |
| C16 | C15 | C14 | H142 | 152.4° | 142.9° |
| C15 | C16 | H162 | H161 | 122.4° | 123.4° |
| C14 | C13 | C17 | N12 | 123.1° | 119.3° |
| C14 | C13 | C17 | H131 | 115.3° | 119.3° |
| C14 | C13 | N12 | H131 | 118.5° | 121.4° |
| C14 | C13 | C17 | C16 | 7.0° | 23.7° |
| C14 | C13 | N12 | C18 | 95.3° | 120.0° |
| C14 | C13 | N12 | N11 | 83.9° | 59.8° |
| C13 | C14 | C15 | H151 | 86.4° | 142.2° |
| C13 | C14 | C15 | H152 | 152.2° | 95.1° |
| C14 | C13 | C17 | H172 | 126.4° | 95.0° |
| C14 | C13 | C17 | H171 | 112.5° | 142.3° |
| C13 | C14 | H141 | H142 | 121.6° | 121.5° |
| C17 | C13 | N12 | H131 | 121.5° | 121.4° |
| C13 | C17 | C16 | H172 | 119.5° | 118.6° |
| C13 | C17 | C16 | H171 | 119.5° | 118.6° |
| C17 | C13 | N12 | C18 | 144.7° | 122.9° |
| C17 | C13 | N12 | N11 | 36.2° | 57.4° |
| C13 | C17 | H172 | H171 | 121.6° | 122.6° |
| C17 | C13 | C14 | H141 | 103.6° | 119.3° |
| C17 | C13 | C14 | H142 | 135.3° | 119.2° |
| C13 | C17 | C16 | H162 | 146.0° | 80.3° |
| C13 | C17 | C16 | H161 | 92.4° | 156.2° |
| N12 | C13 | C17 | C16 | 116.1° | 142.9° |
| C13 | N12 | C18 | N19 | 0.4° | 0.6° |
| C13 | N12 | C18 | N11 | 179.2° | 179.8° |
| C13 | N12 | C18 | C09 | 178.1° | 179.9° |
| C13 | N12 | N11 | C10 | 179.3° | 179.9° |
| N12 | C13 | C17 | H172 | 3.4° | 24.2° |
| N12 | C13 | C17 | H171 | 124.5° | 98.4° |
| N12 | C13 | C14 | H141 | 22.5° | 121.4° |
| N12 | C13 | C14 | H142 | 98.6° | 0.0° |
| C16 | C17 | C13 | H131 | 122.2° | 95.7° |
| C17 | C16 | C15 | H151 | 82.1° | 156.7° |
| C17 | C16 | C15 | H152 | 156.5° | 80.7° |
| C16 | C17 | H172 | H171 | 121.6° | 122.7° |
| C17 | C16 | H162 | H161 | 122.4° | 123.3° |
| C20 | N19 | C18 | H191 | 180.0° | 180.0° |
| C20 | N19 | C18 | N12 | 164.3° | 166.9° |
| C20 | N19 | C18 | C09 | 17.3° | 13.6° |
| N19 | C20 | C08 | C07 | 33.3° | 36.7° |
| N19 | C20 | C08 | H082 | 154.3° | 84.0° |
| N19 | C20 | C08 | H081 | 87.6° | 157.0° |
| C18 | N19 | C20 | C08 | 0.9° | 6.5° |
| N19 | C18 | N12 | C09 | 178.5° | 179.5° |
| N19 | C18 | N12 | N11 | 179.6° | 179.7° |
| N19 | C18 | C09 | C07 | 3.3° | 0.5° |
| N19 | C18 | C09 | C10 | 179.8° | 179.5° |
| C20 | C08 | C07 | H082 | 121.0° | 120.6° |
| C20 | C08 | C07 | H081 | 120.9° | 120.3° |
| C20 | C08 | C07 | C09 | 40.9° | 43.9° |
| C20 | C08 | C07 | C06 | 174.0° | 76.0° |
| C20 | C08 | C07 | H071 | 71.2° | 163.5° |
| C20 | C08 | H082 | H081 | 117.0° | 119.1° |
| C08 | C20 | N19 | H191 | 179.1° | 173.5° |
| C18 | N12 | N11 | C10 | 0.1° | 0.3° |
| N12 | C18 | C09 | C07 | 178.0° | 179.9° |
| N12 | C18 | C09 | C10 | 1.5° | 0.1° |
| C18 | N12 | C13 | H131 | 23.3° | 1.4° |
| N12 | C18 | N19 | H191 | 15.7° | 13.1° |
| N11 | N12 | C18 | C09 | 1.1° | 0.1° |
| N12 | N11 | C10 | C09 | 1.0° | 0.4° |
| N12 | N11 | C10 | H101 | 179.0° | 179.9° |
| N11 | N12 | C13 | H131 | 157.6° | 178.9° |
| C18 | C09 | C07 | C08 | 26.2° | 29.0° |
| C18 | C09 | C10 | N11 | 1.6° | 0.3° |
| C18 | C09 | C07 | C10 | 175.4° | 180.0° |
| C18 | C09 | C07 | C06 | 153.7° | 90.8° |
| C18 | C09 | C10 | H101 | 178.4° | 180.0° |
| C18 | C09 | C07 | H071 | 85.7° | 148.5° |
| C09 | C18 | N19 | H191 | 162.7° | 166.3° |
| C08 | C07 | C09 | C06 | 127.5° | 119.8° |
| C08 | C07 | C09 | H071 | 111.9° | 119.6° |
| C08 | C07 | C09 | C10 | 149.2° | 151.1° |
| C08 | C07 | C06 | H071 | 115.0° | 120.5° |
| C08 | C07 | C06 | C05 | 53.8° | 59.5° |
| C08 | C07 | C06 | C22 | 127.2° | 121.0° |
| C07 | C08 | H082 | H081 | 117.0° | 119.0° |
| N11 | C10 | C09 | C07 | 177.8° | 179.7° |
| N11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C09 | C07 | C06 | H071 | 120.9° | 120.6° |
| C09 | C07 | C06 | C05 | 70.2° | 59.4° |
| C09 | C07 | C06 | C22 | 108.8° | 120.1° |
| C07 | C09 | C10 | H101 | 2.2° | 0.0° |
| C09 | C07 | C08 | H082 | 161.9° | 76.6° |
| C09 | C07 | C08 | H081 | 80.0° | 164.3° |
| C10 | C09 | C07 | C06 | 21.7° | 89.1° |
| C10 | C09 | C07 | H071 | 98.9° | 31.5° |
| C07 | C06 | C05 | C22 | 179.1° | 179.5° |
| C07 | C06 | C05 | C04 | 179.4° | 180.0° |
| C07 | C06 | C22 | C02 | 179.5° | 180.0° |
| C07 | C06 | C22 | H221 | 0.5° | 0.3° |
| C07 | C06 | C05 | H051 | 0.6° | 0.2° |
| C06 | C07 | C08 | H082 | 65.0° | 163.4° |
| C06 | C07 | C08 | H081 | 53.1° | 44.3° |
| C06 | C05 | C04 | H051 | 180.0° | 179.8° |
| C06 | C05 | C04 | C03 | 0.9° | 0.2° |
| C05 | C06 | C22 | C02 | 1.4° | 0.5° |
| C05 | C06 | C22 | H221 | 178.6° | 179.8° |
| C06 | C05 | C04 | H041 | 179.1° | 179.7° |
| C05 | C06 | C07 | H071 | 168.9° | 180.0° |
| C22 | C06 | C05 | C04 | 1.5° | 0.5° |
| C06 | C22 | C02 | H221 | 180.0° | 179.7° |
| C06 | C22 | C02 | C03 | 0.7° | 0.2° |
| C06 | C22 | C02 | O01 | 179.2° | 179.8° |
| C22 | C06 | C05 | H051 | 178.5° | 179.7° |
| C22 | C06 | C07 | H071 | 12.1° | 0.5° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.0° | 0.1° |
| C05 | C04 | C03 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C22 | 0.1° | 0.1° |
| C04 | C03 | C02 | H031 | 180.0° | 179.8° |
| C04 | C03 | C02 | O01 | 179.9° | 179.9° |
| C03 | C04 | C05 | H051 | 179.1° | 180.0° |
| C22 | C02 | C03 | O01 | 179.8° | 180.0° |
| C22 | C02 | C03 | H031 | 179.9° | 179.9° |
| C22 | C02 | O01 | H011 | 180.0° | 90.0° |
| C03 | C02 | C22 | H221 | 179.3° | 179.9° |
| C02 | C03 | C04 | H041 | 180.0° | 180.0° |
| C03 | C02 | O01 | H011 | 0.2° | 90.0° |
| O01 | C02 | C22 | H221 | 0.8° | 0.1° |
| O01 | C02 | C03 | H031 | 0.1° | 0.1° |
| H131 | C13 | C17 | H172 | 118.3° | 145.6° |
| H131 | C13 | C17 | H171 | 2.8° | 23.0° |
| H131 | C13 | C14 | H141 | 141.2° | 0.1° |
| H131 | C13 | C14 | H142 | 20.1° | 121.4° |
| H151 | C15 | C14 | H141 | 154.2° | 23.0° |
| H151 | C15 | C14 | H142 | 33.1° | 98.5° |
| H151 | C15 | C16 | H162 | 37.1° | 38.3° |
| H151 | C15 | C16 | H161 | 158.8° | 85.1° |
| H152 | C15 | C14 | H141 | 32.8° | 145.6° |
| H152 | C15 | C14 | H142 | 88.3° | 24.2° |
| H152 | C15 | C16 | H162 | 84.3° | 160.9° |
| H152 | C15 | C16 | H161 | 37.4° | 37.5° |
| H172 | C17 | C16 | H162 | 94.6° | 161.0° |
| H172 | C17 | C16 | H161 | 27.1° | 37.6° |
| H171 | C17 | C16 | H162 | 26.5° | 38.3° |
| H171 | C17 | C16 | H161 | 148.2° | 85.1° |
| H031 | C03 | C04 | H041 | 0.0° | 0.2° |
| H041 | C04 | C05 | H051 | 0.9° | 0.1° |
| H071 | C07 | C08 | H082 | 49.8° | 42.9° |
| H071 | C07 | C08 | H081 | 167.8° | 76.2° |






