6D7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C16 | doub | 1.30Å | 1.39Å | Aromatic |
| N17 | C18 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | N15 | sing | 1.35Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.42Å | Aromatic |
| N15 | C19 | sing | 1.37Å | 1.36Å | Aromatic |
| N15 | C14 | sing | 1.47Å | 1.45Å | |
| C19 | C11 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.54Å | 1.50Å | |
| C20 | C21 | doub | 1.36Å | 1.52Å | Aromatic |
| C20 | C10 | sing | 1.39Å | 1.52Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.57Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.46Å | |
| C11 | C13 | sing | 1.55Å | 1.44Å | |
| C11 | O12 | sing | 1.43Å | 1.45Å | |
| C10 | C09 | doub | 1.36Å | 1.55Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.54Å | Aromatic |
| C22 | C08 | sing | 1.42Å | 1.50Å | Aromatic |
| C23 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
| O04 | C03 | doub | 1.22Å | 1.20Å | |
| C09 | C08 | sing | 1.41Å | 1.53Å | Aromatic |
| C08 | C07 | doub | 1.41Å | 1.55Å | Aromatic |
| C05 | C03 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | doub | 1.41Å | 1.54Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.44Å | |
| C07 | C06 | sing | 1.36Å | 1.52Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.46Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N17 | C18 | 108.0° | 109.3° |
| N17 | C16 | N15 | 108.1° | 108.7° |
| N17 | C16 | H161 | 126.0° | 125.6° |
| N17 | C18 | C19 | 108.0° | 107.9° |
| N17 | C18 | H181 | 126.0° | 126.1° |
| C16 | N15 | C19 | 108.1° | 107.0° |
| C16 | N15 | C14 | 143.8° | 142.2° |
| N15 | C16 | H161 | 126.0° | 125.6° |
| C18 | C19 | N15 | 107.8° | 107.0° |
| C18 | C19 | C11 | 141.6° | 143.1° |
| C19 | C18 | H181 | 126.0° | 126.0° |
| C19 | N15 | C14 | 108.1° | 110.8° |
| N15 | C19 | C11 | 110.5° | 109.9° |
| N15 | C14 | C13 | 107.2° | 105.7° |
| N15 | C14 | H141 | 110.0° | 110.2° |
| N15 | C14 | H142 | 110.0° | 110.2° |
| C19 | C11 | C10 | 114.3° | 110.5° |
| C19 | C11 | C13 | 104.0° | 104.3° |
| C19 | C11 | O12 | 117.8° | 110.6° |
| C14 | C13 | C11 | 105.7° | 102.0° |
| C14 | C13 | H132 | 110.4° | 111.0° |
| C14 | C13 | H131 | 110.4° | 110.9° |
| C13 | C14 | H141 | 110.1° | 110.2° |
| C13 | C14 | H142 | 110.1° | 110.2° |
| C21 | C20 | C10 | 119.6° | 121.0° |
| C20 | C21 | C22 | 120.0° | 119.7° |
| C20 | C21 | H211 | 120.0° | 120.2° |
| C21 | C20 | H201 | 120.2° | 119.5° |
| C20 | C10 | C11 | 123.2° | 119.5° |
| C20 | C10 | C09 | 120.0° | 121.0° |
| C10 | C20 | H201 | 120.2° | 119.5° |
| C21 | C22 | C23 | 119.8° | 121.2° |
| C21 | C22 | C08 | 120.2° | 119.3° |
| C22 | C21 | H211 | 120.0° | 120.1° |
| C10 | C11 | C13 | 98.6° | 110.5° |
| C10 | C11 | O12 | 101.8° | 110.4° |
| C11 | C10 | C09 | 116.7° | 119.5° |
| C13 | C11 | O12 | 119.1° | 110.5° |
| C11 | C13 | H132 | 110.4° | 110.9° |
| C11 | C13 | H131 | 110.4° | 110.9° |
| C11 | O12 | H121 | 109.5° | 114.1° |
| C10 | C09 | C08 | 120.4° | 119.7° |
| C10 | C09 | H091 | 119.8° | 120.2° |
| C23 | C22 | C08 | 120.0° | 119.5° |
| C22 | C23 | C05 | 119.7° | 119.5° |
| C22 | C23 | H231 | 120.1° | 120.2° |
| C22 | C08 | C09 | 119.7° | 119.3° |
| C22 | C08 | C07 | 120.7° | 119.7° |
| C23 | C05 | C03 | 118.9° | 119.8° |
| C23 | C05 | C06 | 120.8° | 120.5° |
| C05 | C23 | H231 | 120.1° | 120.3° |
| O04 | C03 | C05 | 120.2° | 120.0° |
| O04 | C03 | N02 | 120.3° | 120.0° |
| C09 | C08 | C07 | 119.6° | 121.0° |
| C08 | C09 | H091 | 119.8° | 120.1° |
| C08 | C07 | C06 | 119.3° | 120.0° |
| C08 | C07 | H071 | 120.4° | 120.0° |
| C03 | C05 | C06 | 120.2° | 119.7° |
| C05 | C03 | N02 | 119.5° | 120.0° |
| C05 | C06 | C07 | 119.4° | 120.8° |
| C05 | C06 | H061 | 120.3° | 119.6° |
| C03 | N02 | C01 | 119.0° | 120.0° |
| C03 | N02 | H021 | 120.5° | 120.0° |
| C07 | C06 | H061 | 120.3° | 119.6° |
| C06 | C07 | H071 | 120.3° | 120.0° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.4° |
| C01 | N02 | H021 | 120.5° | 120.0° |
| H132 | C13 | H131 | 109.4° | 110.8° |
| H141 | C14 | H142 | 109.5° | 110.2° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C16 | N15 | H161 | 180.0° | 179.9° |
| C16 | N17 | C18 | C19 | 0.7° | 0.2° |
| N17 | C16 | N15 | C19 | 0.8° | 0.1° |
| N17 | C16 | N15 | C14 | 179.1° | 179.8° |
| C16 | N17 | C18 | H181 | 179.3° | 179.9° |
| C18 | N17 | C16 | N15 | 0.1° | 0.0° |
| N17 | C18 | C19 | H181 | 180.0° | 179.9° |
| N17 | C18 | C19 | N15 | 1.2° | 0.3° |
| N17 | C18 | C19 | C11 | 177.3° | 179.9° |
| C18 | N17 | C16 | H161 | 179.9° | 179.9° |
| C16 | N15 | C19 | C18 | 1.2° | 0.3° |
| C16 | N15 | C19 | C14 | 179.9° | 180.0° |
| C16 | N15 | C19 | C11 | 178.6° | 179.8° |
| C16 | N15 | C14 | C13 | 165.9° | 163.0° |
| C16 | N15 | C14 | H141 | 46.2° | 43.9° |
| C16 | N15 | C14 | H142 | 74.5° | 78.0° |
| C18 | C19 | N15 | C11 | 177.4° | 179.9° |
| C18 | C19 | N15 | C14 | 178.7° | 179.7° |
| C18 | C19 | C11 | C10 | 89.8° | 44.8° |
| C18 | C19 | C11 | C13 | 163.8° | 163.5° |
| C18 | C19 | C11 | O12 | 29.6° | 77.7° |
| C19 | N15 | C14 | C13 | 14.0° | 17.1° |
| N15 | C19 | C11 | C10 | 94.1° | 135.4° |
| N15 | C19 | C11 | C13 | 12.2° | 16.7° |
| N15 | C19 | C11 | O12 | 146.5° | 102.1° |
| C19 | N15 | C14 | H141 | 133.7° | 136.2° |
| C19 | N15 | C14 | H142 | 105.6° | 101.9° |
| C19 | N15 | C16 | H161 | 179.2° | 179.7° |
| N15 | C19 | C18 | H181 | 178.8° | 179.8° |
| C14 | N15 | C19 | C11 | 1.3° | 0.2° |
| N15 | C14 | C13 | H141 | 119.6° | 119.1° |
| N15 | C14 | C13 | H142 | 119.6° | 119.1° |
| N15 | C14 | C13 | C11 | 21.7° | 25.9° |
| N15 | C14 | C13 | H132 | 97.8° | 92.3° |
| N15 | C14 | C13 | H131 | 141.1° | 144.1° |
| N15 | C14 | H141 | H142 | 121.1° | 121.9° |
| C14 | N15 | C16 | H161 | 0.9° | 0.4° |
| C19 | C11 | C13 | C14 | 19.9° | 25.4° |
| C19 | C11 | C10 | C20 | 31.4° | 130.5° |
| C19 | C11 | C10 | C13 | 109.6° | 114.8° |
| C19 | C11 | C10 | O12 | 128.0° | 122.6° |
| C19 | C11 | C13 | O12 | 133.5° | 118.9° |
| C19 | C11 | C10 | C09 | 151.7° | 48.8° |
| C19 | C11 | C13 | H132 | 99.5° | 92.9° |
| C19 | C11 | C13 | H131 | 139.3° | 143.6° |
| C11 | C19 | C18 | H181 | 2.7° | 0.0° |
| C19 | C11 | O12 | H121 | 180.0° | 63.3° |
| C14 | C13 | C11 | C10 | 97.9° | 144.1° |
| C14 | C13 | C11 | H132 | 119.4° | 118.2° |
| C14 | C13 | C11 | H131 | 119.4° | 118.2° |
| C14 | C13 | C11 | O12 | 153.4° | 93.5° |
| C14 | C13 | H132 | H131 | 121.8° | 123.7° |
| C13 | C14 | H141 | H142 | 121.1° | 121.8° |
| C21 | C20 | C10 | H201 | 180.0° | 179.9° |
| C20 | C21 | C22 | H211 | 180.0° | 179.7° |
| C21 | C20 | C10 | C11 | 178.3° | 179.8° |
| C21 | C20 | C10 | C09 | 1.5° | 0.5° |
| C20 | C21 | C22 | C23 | 180.0° | 179.6° |
| C20 | C21 | C22 | C08 | 0.1° | 0.2° |
| C10 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C10 | C11 | C09 | 176.9° | 179.3° |
| C20 | C10 | C11 | C13 | 78.2° | 114.7° |
| C20 | C10 | C11 | O12 | 159.4° | 7.8° |
| C20 | C10 | C09 | C08 | 1.5° | 0.8° |
| C10 | C20 | C21 | H211 | 179.3° | 179.7° |
| C20 | C10 | C09 | H091 | 178.6° | 179.9° |
| C21 | C22 | C23 | C08 | 179.9° | 179.9° |
| C21 | C22 | C23 | C05 | 179.9° | 179.9° |
| C21 | C22 | C08 | C09 | 0.1° | 0.1° |
| C21 | C22 | C08 | C07 | 179.9° | 180.0° |
| C21 | C22 | C23 | H231 | 0.2° | 0.2° |
| C22 | C21 | C20 | H201 | 179.3° | 180.0° |
| C10 | C11 | C13 | O12 | 108.8° | 122.4° |
| C11 | C10 | C09 | C08 | 178.5° | 179.9° |
| C10 | C11 | C13 | H132 | 142.7° | 25.8° |
| C10 | C11 | C13 | H131 | 21.6° | 97.7° |
| C11 | C10 | C20 | H201 | 1.7° | 0.2° |
| C11 | C10 | C09 | H091 | 1.6° | 0.8° |
| C10 | C11 | O12 | H121 | 54.2° | 59.3° |
| C13 | C11 | C10 | C09 | 98.7° | 66.0° |
| C11 | C13 | H132 | H131 | 121.7° | 123.6° |
| C11 | C13 | C14 | H141 | 141.3° | 145.0° |
| C11 | C13 | C14 | H142 | 98.0° | 93.2° |
| C13 | C11 | O12 | H121 | 52.7° | 178.2° |
| O12 | C11 | C10 | C09 | 23.7° | 171.5° |
| O12 | C11 | C13 | H132 | 34.0° | 148.3° |
| O12 | C11 | C13 | H131 | 87.2° | 24.7° |
| C10 | C09 | C08 | C22 | 0.6° | 0.6° |
| C10 | C09 | C08 | H091 | 180.0° | 179.1° |
| C10 | C09 | C08 | C07 | 179.1° | 179.5° |
| C09 | C10 | C20 | H201 | 178.5° | 179.4° |
| C22 | C23 | C05 | H231 | 180.0° | 179.9° |
| C23 | C22 | C08 | C09 | 179.9° | 179.9° |
| C23 | C22 | C08 | C07 | 0.2° | 0.1° |
| C22 | C23 | C05 | C03 | 179.9° | 179.9° |
| C22 | C23 | C05 | C06 | 0.2° | 0.0° |
| C23 | C22 | C21 | H211 | 0.0° | 0.1° |
| C08 | C22 | C23 | C05 | 0.0° | 0.1° |
| C22 | C08 | C09 | C07 | 179.8° | 180.0° |
| C22 | C08 | C07 | C06 | 0.2° | 0.1° |
| C08 | C22 | C21 | H211 | 179.9° | 179.9° |
| C08 | C22 | C23 | H231 | 179.9° | 180.0° |
| C22 | C08 | C07 | H071 | 179.8° | 179.9° |
| C22 | C08 | C09 | H091 | 179.4° | 179.7° |
| C23 | C05 | C03 | O04 | 5.4° | 0.0° |
| C23 | C05 | C03 | C06 | 179.6° | 180.0° |
| C23 | C05 | C03 | N02 | 174.5° | 180.0° |
| C23 | C05 | C06 | C07 | 0.2° | 0.0° |
| C23 | C05 | C06 | H061 | 179.8° | 180.0° |
| O04 | C03 | C05 | N02 | 179.9° | 180.0° |
| O04 | C03 | C05 | C06 | 175.0° | 180.0° |
| O04 | C03 | N02 | C01 | 0.2° | 0.0° |
| O04 | C03 | N02 | H021 | 179.8° | 180.0° |
| C09 | C08 | C07 | C06 | 180.0° | 180.0° |
| C09 | C08 | C07 | H071 | 0.0° | 0.1° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | H061 | 180.0° | 180.0° |
| C07 | C08 | C09 | H091 | 0.8° | 0.3° |
| C03 | C05 | C06 | C07 | 179.8° | 180.0° |
| C05 | C03 | N02 | C01 | 179.8° | 180.0° |
| C03 | C05 | C23 | H231 | 0.1° | 0.0° |
| C05 | C03 | N02 | H021 | 0.2° | 0.0° |
| C03 | C05 | C06 | H061 | 0.2° | 0.0° |
| C06 | C05 | C03 | N02 | 5.1° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C23 | H231 | 179.7° | 179.9° |
| C05 | C06 | C07 | H071 | 180.0° | 180.0° |
| C03 | N02 | C01 | H021 | 180.0° | 180.0° |
| C03 | N02 | C01 | H013 | 180.0° | 60.1° |
| C03 | N02 | C01 | H011 | 60.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 180.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 119.9° |
| H132 | C13 | C14 | H141 | 21.9° | 26.8° |
| H132 | C13 | C14 | H142 | 142.6° | 148.6° |
| H131 | C13 | C14 | H141 | 99.3° | 96.8° |
| H131 | C13 | C14 | H142 | 21.4° | 25.0° |
| H211 | C21 | C20 | H201 | 0.7° | 0.3° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | N02 | H021 | 0.0° | 119.9° |
| H011 | C01 | N02 | H021 | 120.0° | 120.0° |
| H012 | C01 | N02 | H021 | 120.0° | 0.0° |
| H061 | C06 | C07 | H071 | 0.0° | 0.0° |
