7D6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N20 | doub | 1.30Å | 1.34Å | Aromatic |
| C19 | N17 | sing | 1.35Å | 1.38Å | Aromatic |
| N20 | C21 | sing | 1.34Å | 1.34Å | Aromatic |
| N17 | C16 | sing | 1.47Å | 1.53Å | |
| N17 | C18 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.54Å | 1.60Å | |
| C21 | C18 | doub | 1.35Å | 1.47Å | Aromatic |
| C18 | C14 | sing | 1.51Å | 1.44Å | |
| O23 | C14 | sing | 1.43Å | 1.41Å | |
| C15 | C14 | sing | 1.55Å | 1.50Å | |
| C14 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | C07 | doub | 1.36Å | 1.43Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.36Å | Aromatic |
| C10 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
| C03 | C02 | sing | 1.36Å | 1.45Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.48Å | Aromatic |
| C02 | C01 | doub | 1.41Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C11 | sing | 1.48Å | 1.57Å | |
| C11 | O13 | doub | 1.21Å | 1.22Å | |
| C11 | N12 | sing | 1.35Å | 1.44Å | |
| N12 | C22 | sing | 1.46Å | 1.43Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C19 | N17 | 109.8° | 108.7° |
| C19 | N20 | C21 | 109.0° | 109.3° |
| N20 | C19 | H191 | 125.1° | 125.6° |
| C19 | N17 | C16 | 145.8° | 142.3° |
| C19 | N17 | C18 | 108.3° | 107.0° |
| N17 | C19 | H191 | 125.1° | 125.6° |
| N20 | C21 | C18 | 105.9° | 107.9° |
| N20 | C21 | H211 | 127.0° | 126.0° |
| C16 | N17 | C18 | 105.9° | 110.7° |
| N17 | C16 | C15 | 101.6° | 105.7° |
| N17 | C16 | H161 | 111.4° | 110.2° |
| N17 | C16 | H162 | 111.4° | 110.3° |
| N17 | C18 | C21 | 107.0° | 107.0° |
| N17 | C18 | C14 | 117.1° | 109.9° |
| C16 | C15 | C14 | 101.7° | 102.0° |
| C16 | C15 | H152 | 111.3° | 110.9° |
| C16 | C15 | H151 | 111.3° | 110.9° |
| C15 | C16 | H161 | 111.4° | 110.2° |
| C15 | C16 | H162 | 111.4° | 110.2° |
| C21 | C18 | C14 | 135.9° | 143.1° |
| C18 | C21 | H211 | 127.0° | 126.1° |
| C18 | C14 | O23 | 109.8° | 110.6° |
| C18 | C14 | C15 | 101.6° | 104.3° |
| C18 | C14 | C08 | 115.1° | 110.5° |
| O23 | C14 | C15 | 110.7° | 110.5° |
| O23 | C14 | C08 | 109.9° | 110.4° |
| C14 | O23 | H231 | 109.5° | 114.0° |
| C15 | C14 | C08 | 109.4° | 110.5° |
| C14 | C15 | H152 | 111.4° | 110.9° |
| C14 | C15 | H151 | 111.4° | 110.9° |
| C14 | C08 | C07 | 118.0° | 119.5° |
| C14 | C08 | C09 | 122.0° | 119.5° |
| C07 | C08 | C09 | 120.0° | 121.1° |
| C08 | C07 | C04 | 120.2° | 119.7° |
| C08 | C07 | H071 | 119.9° | 120.2° |
| C08 | C09 | C10 | 119.7° | 120.9° |
| C08 | C09 | H091 | 120.2° | 119.6° |
| C07 | C04 | C03 | 119.8° | 121.1° |
| C07 | C04 | C05 | 119.9° | 119.3° |
| C04 | C07 | H071 | 119.9° | 120.1° |
| C09 | C10 | C05 | 120.0° | 119.6° |
| C09 | C10 | H101 | 120.0° | 120.2° |
| C10 | C09 | H091 | 120.2° | 119.5° |
| C03 | C04 | C05 | 120.3° | 119.6° |
| C04 | C03 | C02 | 120.0° | 120.0° |
| C04 | C03 | H031 | 120.0° | 120.0° |
| C04 | C05 | C10 | 120.2° | 119.4° |
| C04 | C05 | C06 | 119.6° | 119.5° |
| C10 | C05 | C06 | 120.2° | 121.1° |
| C05 | C10 | H101 | 120.0° | 120.2° |
| C03 | C02 | C01 | 119.7° | 120.8° |
| C03 | C02 | H021 | 120.1° | 119.6° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C05 | C06 | C01 | 120.0° | 119.4° |
| C05 | C06 | H061 | 120.0° | 120.2° |
| C02 | C01 | C06 | 120.2° | 120.5° |
| C02 | C01 | C11 | 120.5° | 119.7° |
| C01 | C02 | H021 | 120.1° | 119.6° |
| C06 | C01 | C11 | 119.3° | 119.7° |
| C01 | C06 | H061 | 120.0° | 120.3° |
| C01 | C11 | O13 | 120.0° | 120.0° |
| C01 | C11 | N12 | 119.1° | 120.0° |
| O13 | C11 | N12 | 121.0° | 120.0° |
| C11 | N12 | C22 | 121.2° | 120.0° |
| C11 | N12 | H121 | 119.4° | 120.0° |
| C22 | N12 | H121 | 119.4° | 119.9° |
| N12 | C22 | H221 | 109.5° | 109.5° |
| N12 | C22 | H222 | 109.5° | 109.4° |
| N12 | C22 | H223 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 110.9° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C19 | N17 | H191 | 180.0° | 180.0° |
| N20 | C19 | N17 | C16 | 179.8° | 179.7° |
| N20 | C19 | N17 | C18 | 0.4° | 0.1° |
| C19 | N20 | C21 | C18 | 0.1° | 0.0° |
| C19 | N20 | C21 | H211 | 179.8° | 180.0° |
| N17 | C19 | N20 | C21 | 0.1° | 0.1° |
| C19 | N17 | C16 | C18 | 179.4° | 179.9° |
| C19 | N17 | C16 | C15 | 159.5° | 162.9° |
| C19 | N17 | C18 | C21 | 0.5° | 0.1° |
| C19 | N17 | C18 | C14 | 179.5° | 179.8° |
| C19 | N17 | C16 | H161 | 40.8° | 78.0° |
| C19 | N17 | C16 | H162 | 81.7° | 43.8° |
| N20 | C21 | C18 | N17 | 0.4° | 0.1° |
| N20 | C21 | C18 | H211 | 180.0° | 180.0° |
| N20 | C21 | C18 | C14 | 179.2° | 179.8° |
| C21 | N20 | C19 | H191 | 179.8° | 179.9° |
| N17 | C16 | C15 | H161 | 118.7° | 119.0° |
| N17 | C16 | C15 | H162 | 118.7° | 119.2° |
| C16 | N17 | C18 | C21 | 179.9° | 179.8° |
| C16 | N17 | C18 | C14 | 0.8° | 0.3° |
| N17 | C16 | C15 | C14 | 32.3° | 25.9° |
| N17 | C16 | C15 | H152 | 86.4° | 144.1° |
| N17 | C16 | C15 | H151 | 151.1° | 92.2° |
| N17 | C16 | H161 | H162 | 123.7° | 121.9° |
| C16 | N17 | C19 | H191 | 0.2° | 0.3° |
| C18 | N17 | C16 | C15 | 19.9° | 17.2° |
| N17 | C18 | C21 | C14 | 178.8° | 179.9° |
| N17 | C18 | C14 | O23 | 94.6° | 102.2° |
| N17 | C18 | C14 | C15 | 22.6° | 16.6° |
| N17 | C18 | C14 | C08 | 140.8° | 135.3° |
| N17 | C18 | C21 | H211 | 179.6° | 179.9° |
| C18 | N17 | C16 | H161 | 138.6° | 101.9° |
| C18 | N17 | C16 | H162 | 98.8° | 136.3° |
| C18 | N17 | C19 | H191 | 179.6° | 179.9° |
| C16 | C15 | C14 | C18 | 32.1° | 25.3° |
| C16 | C15 | C14 | O23 | 84.4° | 93.5° |
| C16 | C15 | C14 | H152 | 118.7° | 118.2° |
| C16 | C15 | C14 | H151 | 118.7° | 118.2° |
| C16 | C15 | C14 | C08 | 154.3° | 144.0° |
| C16 | C15 | H152 | H151 | 123.6° | 123.7° |
| C15 | C16 | H161 | H162 | 123.6° | 121.8° |
| C21 | C18 | C14 | O23 | 84.1° | 77.9° |
| C21 | C18 | C14 | C15 | 158.7° | 163.3° |
| C21 | C18 | C14 | C08 | 40.5° | 44.6° |
| C18 | C14 | O23 | C15 | 111.4° | 114.9° |
| C18 | C14 | O23 | C08 | 127.6° | 122.6° |
| C18 | C14 | C15 | C08 | 122.2° | 118.7° |
| C18 | C14 | C08 | C07 | 149.9° | 48.7° |
| C18 | C14 | C08 | C09 | 31.0° | 132.3° |
| C18 | C14 | C15 | H152 | 86.6° | 143.5° |
| C18 | C14 | C15 | H151 | 150.8° | 92.9° |
| C14 | C18 | C21 | H211 | 0.8° | 0.2° |
| C18 | C14 | O23 | H231 | 180.0° | 65.1° |
| O23 | C14 | C15 | C08 | 121.3° | 122.5° |
| O23 | C14 | C08 | C07 | 25.4° | 171.3° |
| O23 | C14 | C08 | C09 | 155.5° | 9.6° |
| O23 | C14 | C15 | H152 | 156.9° | 24.7° |
| O23 | C14 | C15 | H151 | 34.3° | 148.3° |
| C15 | C14 | C08 | C07 | 96.4° | 66.2° |
| C15 | C14 | C08 | C09 | 82.7° | 112.9° |
| C14 | C15 | H152 | H151 | 123.6° | 123.7° |
| C14 | C15 | C16 | H161 | 151.0° | 93.1° |
| C14 | C15 | C16 | H162 | 86.4° | 145.1° |
| C15 | C14 | O23 | H231 | 68.6° | 179.9° |
| C14 | C08 | C07 | C09 | 179.1° | 179.1° |
| C14 | C08 | C07 | C04 | 179.6° | 180.0° |
| C14 | C08 | C09 | C10 | 179.6° | 179.7° |
| C08 | C14 | C15 | H152 | 35.6° | 97.8° |
| C08 | C14 | C15 | H151 | 87.0° | 25.8° |
| C14 | C08 | C07 | H071 | 0.4° | 0.6° |
| C14 | C08 | C09 | H091 | 0.4° | 0.3° |
| C08 | C14 | O23 | H231 | 52.4° | 57.4° |
| C08 | C07 | C04 | H071 | 180.0° | 179.4° |
| C07 | C08 | C09 | C10 | 0.6° | 0.6° |
| C08 | C07 | C04 | C03 | 179.7° | 179.4° |
| C08 | C07 | C04 | C05 | 0.2° | 0.6° |
| C07 | C08 | C09 | H091 | 179.4° | 179.3° |
| C09 | C08 | C07 | C04 | 0.5° | 0.9° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C05 | 0.4° | 0.0° |
| C08 | C09 | C10 | H101 | 179.6° | 179.7° |
| C09 | C08 | C07 | H071 | 179.5° | 179.7° |
| C07 | C04 | C03 | C05 | 180.0° | 180.0° |
| C07 | C04 | C05 | C10 | 0.0° | 0.0° |
| C07 | C04 | C03 | C02 | 180.0° | 180.0° |
| C07 | C04 | C05 | C06 | 179.9° | 180.0° |
| C07 | C04 | C03 | H031 | 0.0° | 0.0° |
| C09 | C10 | C05 | C04 | 0.1° | 0.3° |
| C09 | C10 | C05 | H101 | 180.0° | 179.7° |
| C09 | C10 | C05 | C06 | 180.0° | 179.8° |
| C03 | C04 | C05 | C10 | 179.9° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C03 | C04 | C07 | H071 | 0.2° | 0.0° |
| C04 | C05 | C10 | C06 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.0° |
| C04 | C05 | C10 | H101 | 179.9° | 180.0° |
| C05 | C04 | C03 | H031 | 180.0° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C04 | C07 | H071 | 179.8° | 180.0° |
| C10 | C05 | C06 | C01 | 180.0° | 180.0° |
| C10 | C05 | C06 | H061 | 0.0° | 0.1° |
| C05 | C10 | C09 | H091 | 179.6° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.0° | 0.1° |
| C03 | C02 | C01 | C11 | 179.9° | 180.0° |
| C05 | C06 | C01 | C02 | 0.0° | 0.1° |
| C05 | C06 | C01 | H061 | 180.0° | 180.0° |
| C05 | C06 | C01 | C11 | 180.0° | 180.0° |
| C06 | C05 | C10 | H101 | 0.0° | 0.0° |
| C02 | C01 | C06 | C11 | 179.9° | 179.9° |
| C02 | C01 | C11 | O13 | 7.4° | 180.0° |
| C02 | C01 | C11 | N12 | 172.4° | 0.0° |
| C01 | C02 | C03 | H031 | 179.9° | 180.0° |
| C02 | C01 | C06 | H061 | 180.0° | 179.9° |
| C06 | C01 | C11 | O13 | 172.7° | 0.0° |
| C06 | C01 | C11 | N12 | 7.6° | 179.9° |
| C06 | C01 | C02 | H021 | 179.9° | 180.0° |
| C01 | C11 | O13 | N12 | 179.8° | 180.0° |
| C01 | C11 | N12 | C22 | 179.8° | 180.0° |
| C01 | C11 | N12 | H121 | 0.2° | 0.1° |
| C11 | C01 | C02 | H021 | 0.1° | 0.0° |
| C11 | C01 | C06 | H061 | 0.0° | 0.0° |
| O13 | C11 | N12 | C22 | 0.0° | 0.1° |
| O13 | C11 | N12 | H121 | 180.0° | 180.0° |
| C11 | N12 | C22 | H121 | 180.0° | 179.9° |
| C11 | N12 | C22 | H221 | 180.0° | 59.9° |
| C11 | N12 | C22 | H222 | 60.0° | 60.0° |
| C11 | N12 | C22 | H223 | 60.0° | 179.9° |
| N12 | C22 | H221 | H222 | 120.0° | 119.9° |
| N12 | C22 | H221 | H223 | 120.0° | 120.0° |
| N12 | C22 | H222 | H223 | 120.0° | 120.0° |
| H101 | C10 | C09 | H091 | 0.4° | 0.3° |
| H121 | N12 | C22 | H221 | 0.0° | 120.0° |
| H121 | N12 | C22 | H222 | 120.0° | 120.1° |
| H121 | N12 | C22 | H223 | 120.0° | 0.0° |
| H152 | C15 | C16 | H161 | 32.3° | 25.1° |
| H152 | C15 | C16 | H162 | 154.8° | 96.7° |
| H151 | C15 | C16 | H161 | 90.2° | 148.7° |
| H151 | C15 | C16 | H162 | 32.3° | 26.9° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H021 | C02 | C03 | H031 | 0.1° | 0.0° |
