RQH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C12 | doub | 1.30Å | 1.35Å | Aromatic |
| N11 | C10 | sing | 1.34Å | 1.40Å | Aromatic |
| C12 | N08 | sing | 1.35Å | 1.42Å | Aromatic |
| C10 | C09 | doub | 1.35Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.37Å | 1.42Å | Aromatic |
| N08 | C07 | sing | 1.46Å | 1.57Å | |
| C07 | C05 | sing | 1.51Å | 1.49Å | |
| C07 | O13 | sing | 1.43Å | 1.40Å | |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C02 | sing | 1.51Å | 1.56Å | |
| C05 | O06 | doub | 1.21Å | 1.21Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| O13 | C14 | sing | 1.36Å | 1.36Å | |
| C14 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.71Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | 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 | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N11 | C10 | 107.3° | 109.3° |
| N11 | C12 | N08 | 110.8° | 108.7° |
| N11 | C12 | H121 | 124.6° | 125.7° |
| N11 | C10 | C09 | 109.5° | 108.0° |
| N11 | C10 | H101 | 125.3° | 126.0° |
| C12 | N08 | C09 | 105.3° | 107.2° |
| C12 | N08 | C07 | 128.3° | 126.4° |
| N08 | C12 | H121 | 124.6° | 125.6° |
| C10 | C09 | N08 | 107.2° | 106.8° |
| C09 | C10 | H101 | 125.2° | 126.0° |
| C10 | C09 | H091 | 126.4° | 126.5° |
| C09 | N08 | C07 | 126.2° | 126.4° |
| N08 | C09 | H091 | 126.4° | 126.6° |
| N08 | C07 | C05 | 106.5° | 109.5° |
| N08 | C07 | O13 | 103.3° | 109.4° |
| N08 | C07 | H071 | 109.5° | 109.5° |
| C05 | C07 | O13 | 114.4° | 109.4° |
| C07 | C05 | C02 | 118.4° | 120.0° |
| C07 | C05 | O06 | 119.1° | 120.0° |
| C05 | C07 | H071 | 110.6° | 109.5° |
| C07 | O13 | C14 | 118.3° | 117.0° |
| O13 | C07 | H071 | 112.0° | 109.4° |
| C04 | C02 | C01 | 106.1° | 109.5° |
| C04 | C02 | C05 | 107.2° | 109.5° |
| C04 | C02 | C03 | 110.8° | 109.5° |
| C02 | C04 | H042 | 109.5° | 109.5° |
| C02 | C04 | H041 | 109.5° | 109.5° |
| C02 | C04 | H043 | 109.4° | 109.5° |
| C01 | C02 | C05 | 114.1° | 109.5° |
| C01 | C02 | C03 | 107.6° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C16 | C15 | C14 | 119.1° | 120.0° |
| C15 | C16 | C17 | 118.4° | 120.1° |
| C16 | C15 | H151 | 120.4° | 120.0° |
| C15 | C16 | H161 | 120.8° | 120.0° |
| C15 | C14 | O13 | 119.1° | 120.1° |
| C15 | C14 | C19 | 120.5° | 119.9° |
| C14 | C15 | H151 | 120.4° | 120.0° |
| C16 | C17 | CL1 | 120.6° | 120.0° |
| C16 | C17 | C18 | 122.0° | 120.0° |
| C17 | C16 | H161 | 120.8° | 120.0° |
| C02 | C05 | O06 | 122.4° | 120.0° |
| C05 | C02 | C03 | 111.0° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.4° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| O13 | C14 | C19 | 120.3° | 120.0° |
| C14 | C19 | C18 | 120.0° | 119.9° |
| C14 | C19 | H191 | 120.0° | 120.0° |
| CL1 | C17 | C18 | 117.3° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C17 | C18 | H181 | 120.0° | 119.9° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 120.0° | 120.1° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.4° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H042 | C04 | H043 | 109.5° | 109.5° |
| H041 | C04 | H043 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C12 | N08 | H121 | 180.0° | 179.7° |
| C12 | N11 | C10 | C09 | 0.2° | 0.4° |
| N11 | C12 | N08 | C09 | 1.6° | 0.3° |
| N11 | C12 | N08 | C07 | 176.9° | 180.0° |
| C12 | N11 | C10 | H101 | 179.8° | 179.8° |
| C10 | N11 | C12 | N08 | 0.9° | 0.5° |
| N11 | C10 | C09 | H101 | 180.0° | 179.7° |
| N11 | C10 | C09 | N08 | 1.2° | 0.3° |
| N11 | C10 | C09 | H091 | 178.8° | 179.7° |
| C10 | N11 | C12 | H121 | 179.0° | 179.8° |
| C12 | N08 | C09 | C10 | 1.7° | 0.0° |
| C12 | N08 | C09 | C07 | 175.3° | 179.7° |
| C12 | N08 | C07 | C05 | 65.2° | 76.2° |
| C12 | N08 | C07 | O13 | 174.0° | 43.7° |
| C12 | N08 | C07 | H071 | 54.5° | 163.7° |
| C12 | N08 | C09 | H091 | 178.3° | 180.0° |
| C10 | C09 | N08 | H091 | 180.0° | 180.0° |
| C10 | C09 | N08 | C07 | 177.0° | 179.7° |
| C09 | N08 | C07 | C05 | 109.0° | 103.4° |
| C09 | N08 | C07 | O13 | 11.8° | 136.7° |
| N08 | C09 | C10 | H101 | 178.8° | 180.0° |
| C09 | N08 | C07 | H071 | 131.3° | 16.7° |
| C09 | N08 | C12 | H121 | 178.3° | 180.0° |
| N08 | C07 | C05 | O13 | 113.4° | 120.0° |
| N08 | C07 | C05 | H071 | 119.0° | 120.1° |
| N08 | C07 | O13 | H071 | 117.8° | 120.0° |
| N08 | C07 | C05 | C02 | 131.7° | 81.3° |
| N08 | C07 | C05 | O06 | 45.1° | 98.6° |
| N08 | C07 | O13 | C14 | 134.0° | 83.4° |
| C07 | N08 | C09 | H091 | 3.0° | 0.3° |
| C07 | N08 | C12 | H121 | 3.1° | 0.3° |
| C05 | C07 | O13 | H071 | 126.9° | 120.0° |
| C07 | C05 | C02 | C04 | 117.8° | 56.7° |
| C07 | C05 | C02 | C01 | 0.7° | 176.6° |
| C07 | C05 | C02 | O06 | 176.7° | 179.9° |
| C07 | C05 | C02 | C03 | 121.1° | 63.4° |
| C05 | C07 | O13 | C14 | 110.7° | 156.6° |
| C07 | O13 | C14 | C15 | 78.7° | 174.5° |
| O13 | C07 | C05 | C02 | 114.9° | 158.7° |
| O13 | C07 | C05 | O06 | 68.3° | 21.4° |
| C07 | O13 | C14 | C19 | 101.1° | 5.5° |
| C04 | C02 | C01 | C05 | 117.8° | 120.0° |
| C04 | C02 | C01 | C03 | 118.7° | 120.0° |
| C04 | C02 | C05 | C03 | 121.1° | 120.0° |
| C04 | C02 | C05 | O06 | 58.9° | 123.3° |
| C04 | C02 | C01 | H012 | 180.0° | 180.0° |
| C04 | C02 | C01 | H011 | 60.0° | 60.0° |
| C04 | C02 | C01 | H013 | 60.0° | 60.0° |
| C04 | C02 | C03 | H031 | 180.0° | 60.1° |
| C04 | C02 | C03 | H033 | 60.0° | 60.0° |
| C04 | C02 | C03 | H032 | 60.0° | 180.0° |
| C02 | C04 | H042 | H041 | 120.0° | 120.0° |
| C02 | C04 | H042 | H043 | 120.0° | 120.0° |
| C02 | C04 | H041 | H043 | 120.0° | 120.0° |
| C01 | C02 | C05 | C03 | 121.7° | 120.0° |
| C01 | C02 | C05 | O06 | 176.0° | 3.3° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 64.4° | 59.9° |
| C01 | C02 | C03 | H033 | 175.6° | 180.0° |
| C01 | C02 | C03 | H032 | 55.5° | 60.0° |
| C01 | C02 | C04 | H042 | 180.0° | 67.5° |
| C01 | C02 | C04 | H041 | 60.0° | 172.5° |
| C01 | C02 | C04 | H043 | 60.0° | 52.5° |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C16 | C15 | C14 | O13 | 179.8° | 180.0° |
| C16 | C15 | C14 | C19 | 0.0° | 0.0° |
| C15 | C16 | C17 | CL1 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | O13 | C19 | 179.9° | 180.0° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C14 | C15 | C16 | H161 | 180.0° | 180.0° |
| C15 | C14 | C19 | H191 | 179.9° | 180.0° |
| C16 | C17 | CL1 | C18 | 179.6° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C15 | H151 | 180.0° | 179.7° |
| C16 | C17 | C18 | H181 | 179.9° | 179.9° |
| C05 | C02 | C01 | H012 | 62.2° | 60.0° |
| C05 | C02 | C01 | H011 | 177.7° | 60.0° |
| C05 | C02 | C01 | H013 | 57.8° | 180.0° |
| C05 | C02 | C03 | H031 | 61.1° | 179.9° |
| C05 | C02 | C03 | H033 | 58.9° | 60.0° |
| C05 | C02 | C03 | H032 | 179.0° | 60.0° |
| C05 | C02 | C04 | H042 | 57.7° | 52.5° |
| C05 | C02 | C04 | H041 | 62.3° | 67.6° |
| C05 | C02 | C04 | H043 | 177.7° | 172.5° |
| C02 | C05 | C07 | H071 | 12.7° | 38.7° |
| O06 | C05 | C02 | C03 | 62.2° | 116.7° |
| O06 | C05 | C07 | H071 | 164.1° | 141.3° |
| C03 | C02 | C01 | H012 | 61.4° | 60.0° |
| C03 | C02 | C01 | H011 | 58.7° | 180.0° |
| C03 | C02 | C01 | H013 | 178.6° | 60.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 119.9° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C03 | C02 | C04 | H042 | 63.5° | 172.5° |
| C03 | C02 | C04 | H041 | 176.5° | 52.4° |
| C03 | C02 | C04 | H043 | 56.5° | 67.5° |
| O13 | C14 | C19 | C18 | 179.7° | 179.9° |
| O13 | C14 | C15 | H151 | 0.2° | 0.3° |
| C14 | O13 | C07 | H071 | 16.2° | 36.6° |
| O13 | C14 | C19 | H191 | 0.3° | 0.0° |
| C14 | C19 | C18 | C17 | 0.2° | 0.1° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C19 | C14 | C15 | H151 | 180.0° | 179.7° |
| C14 | C19 | C18 | H181 | 179.9° | 180.0° |
| CL1 | C17 | C18 | C19 | 179.8° | 180.0° |
| CL1 | C17 | C16 | H161 | 0.4° | 0.0° |
| CL1 | C17 | C18 | H181 | 0.3° | 0.1° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C16 | H161 | 180.0° | 180.0° |
| C17 | C18 | C19 | H191 | 179.8° | 180.0° |
| H101 | C10 | C09 | H091 | 1.2° | 0.0° |
| H151 | C15 | C16 | H161 | 0.0° | 0.3° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H031 | C03 | H033 | H032 | 120.0° | 120.0° |
| H042 | C04 | H041 | H043 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
