6RX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.47Å | |
| C25 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| O15 | C08 | doub | 1.22Å | 1.26Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.50Å | |
| C08 | N09 | sing | 1.35Å | 1.36Å | |
| C08 | C07 | sing | 1.41Å | 1.43Å | |
| O23 | C22 | doub | 1.22Å | 1.27Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C06 | C21 | sing | 1.51Å | 1.47Å | |
| N09 | C10 | sing | 1.35Å | 1.36Å | |
| C07 | C16 | doub | 1.36Å | 1.43Å | |
| C22 | C21 | sing | 1.40Å | 1.38Å | |
| C22 | O20 | sing | 1.35Å | 1.35Å | |
| C21 | C18 | doub | 1.36Å | 1.33Å | |
| C10 | O14 | doub | 1.22Å | 1.26Å | |
| C10 | N11 | sing | 1.35Å | 1.38Å | |
| C16 | N11 | sing | 1.38Å | 1.38Å | |
| C16 | N17 | sing | 1.38Å | 1.37Å | |
| O20 | C19 | sing | 1.44Å | 1.43Å | |
| C18 | N17 | sing | 1.37Å | 1.34Å | |
| C18 | C19 | sing | 1.50Å | 1.44Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | 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 | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C25 | 120.0° | 120.0° |
| C01 | C02 | C03 | 121.4° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C25 | C24 | 120.9° | 120.0° |
| C25 | C02 | C03 | 118.5° | 120.0° |
| C02 | C25 | H251 | 119.6° | 120.0° |
| C25 | C24 | C05 | 121.1° | 120.0° |
| C25 | C24 | H241 | 119.4° | 120.0° |
| C24 | C25 | H251 | 119.6° | 120.0° |
| C02 | C03 | C04 | 120.5° | 120.0° |
| C02 | C03 | H031 | 119.8° | 120.0° |
| C24 | C05 | C04 | 117.0° | 120.0° |
| C24 | C05 | C06 | 123.7° | 120.0° |
| C05 | C24 | H241 | 119.5° | 120.0° |
| O15 | C08 | N09 | 116.6° | 120.1° |
| O15 | C08 | C07 | 122.9° | 120.1° |
| C03 | C04 | C05 | 121.9° | 120.1° |
| C04 | C03 | H031 | 119.7° | 120.0° |
| C03 | C04 | H041 | 119.0° | 120.0° |
| C04 | C05 | C06 | 119.3° | 120.0° |
| C05 | C04 | H041 | 119.0° | 120.0° |
| C05 | C06 | C07 | 109.3° | 109.5° |
| C05 | C06 | C21 | 105.5° | 109.5° |
| C05 | C06 | H061 | 109.3° | 109.5° |
| N09 | C08 | C07 | 120.5° | 119.8° |
| C08 | N09 | C10 | 121.8° | 120.5° |
| C08 | N09 | H091 | 119.1° | 119.8° |
| C08 | C07 | C06 | 123.6° | 118.6° |
| C08 | C07 | C16 | 116.2° | 118.8° |
| O23 | C22 | C21 | 129.3° | 124.5° |
| O23 | C22 | O20 | 122.1° | 124.5° |
| C07 | C06 | C21 | 113.9° | 109.3° |
| C06 | C07 | C16 | 120.0° | 122.6° |
| C07 | C06 | H061 | 109.1° | 109.5° |
| C06 | C21 | C22 | 130.8° | 128.5° |
| C06 | C21 | C18 | 121.4° | 122.3° |
| C21 | C06 | H061 | 109.7° | 109.5° |
| N09 | C10 | O14 | 117.0° | 119.6° |
| N09 | C10 | N11 | 120.7° | 120.8° |
| C10 | N09 | H091 | 119.1° | 119.7° |
| C07 | C16 | N11 | 121.2° | 119.5° |
| C07 | C16 | N17 | 118.2° | 122.0° |
| C21 | C22 | O20 | 108.5° | 111.0° |
| C22 | C21 | C18 | 107.8° | 109.2° |
| C22 | O20 | C19 | 110.5° | 107.9° |
| C21 | C18 | N17 | 123.1° | 122.9° |
| C21 | C18 | C19 | 111.6° | 106.8° |
| O14 | C10 | N11 | 122.3° | 119.6° |
| C10 | N11 | C16 | 119.5° | 120.6° |
| C10 | N11 | C12 | 118.2° | 119.7° |
| N11 | C16 | N17 | 120.6° | 118.5° |
| C16 | N11 | C12 | 122.3° | 119.7° |
| C16 | N17 | C18 | 123.2° | 118.1° |
| C16 | N17 | H171 | 118.4° | 121.0° |
| O20 | C19 | C18 | 101.3° | 105.1° |
| O20 | C19 | H191 | 111.5° | 110.2° |
| O20 | C19 | H192 | 111.5° | 110.4° |
| N17 | C18 | C19 | 125.2° | 130.3° |
| C18 | N17 | H171 | 118.4° | 120.9° |
| C18 | C19 | H191 | 111.5° | 110.4° |
| C18 | C19 | H192 | 111.5° | 110.3° |
| N11 | C12 | C13 | 114.9° | 109.5° |
| N11 | C12 | H121 | 108.1° | 109.5° |
| N11 | C12 | H122 | 108.1° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C13 | C12 | H121 | 108.1° | 109.5° |
| C13 | C12 | H122 | 108.1° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H191 | C19 | H192 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C25 | C03 | 179.8° | 179.9° |
| C01 | C02 | C25 | C24 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 179.9° | 179.7° |
| 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 | 0.1° | 0.1° |
| C01 | C02 | C25 | H251 | 0.3° | 0.1° |
| C02 | C25 | C24 | H251 | 180.0° | 179.9° |
| C02 | C25 | C24 | C05 | 0.1° | 0.0° |
| C25 | C02 | C03 | C04 | 0.3° | 0.4° |
| C02 | C25 | C24 | H241 | 180.0° | 179.8° |
| C25 | C02 | C01 | H012 | 90.1° | 90.0° |
| C25 | C02 | C01 | H011 | 149.9° | 30.1° |
| C25 | C02 | C01 | H013 | 29.9° | 150.0° |
| C25 | C02 | C03 | H031 | 179.7° | 180.0° |
| C24 | C25 | C02 | C03 | 0.5° | 0.0° |
| C25 | C24 | C05 | H241 | 180.0° | 179.8° |
| C25 | C24 | C05 | C04 | 0.4° | 0.2° |
| C25 | C24 | C05 | C06 | 179.6° | 179.7° |
| C02 | C03 | C04 | H031 | 180.0° | 179.6° |
| C02 | C03 | C04 | C05 | 0.2° | 0.6° |
| C03 | C02 | C01 | H012 | 90.1° | 90.0° |
| C03 | C02 | C01 | H011 | 29.9° | 150.0° |
| C03 | C02 | C01 | H013 | 149.9° | 30.0° |
| C02 | C03 | C04 | H041 | 179.8° | 180.0° |
| C03 | C02 | C25 | H251 | 179.5° | 180.0° |
| C24 | C05 | C04 | C03 | 0.6° | 0.6° |
| C24 | C05 | C04 | C06 | 179.2° | 180.0° |
| C24 | C05 | C06 | C07 | 108.1° | 120.0° |
| C24 | C05 | C06 | C21 | 129.1° | 120.2° |
| C24 | C05 | C04 | H041 | 179.4° | 180.0° |
| C24 | C05 | C06 | H061 | 11.2° | 0.1° |
| C05 | C24 | C25 | H251 | 179.9° | 179.9° |
| O15 | C08 | N09 | C07 | 178.8° | 179.9° |
| O15 | C08 | C07 | C06 | 4.2° | 0.5° |
| O15 | C08 | N09 | C10 | 179.8° | 179.9° |
| O15 | C08 | C07 | C16 | 179.7° | 179.5° |
| O15 | C08 | N09 | H091 | 0.2° | 0.1° |
| C03 | C04 | C05 | H041 | 180.0° | 179.4° |
| C03 | C04 | C05 | C06 | 179.8° | 179.4° |
| C04 | C05 | C06 | C07 | 71.1° | 60.0° |
| C04 | C05 | C06 | C21 | 51.7° | 59.9° |
| C04 | C05 | C24 | H241 | 179.5° | 180.0° |
| C05 | C04 | C03 | H031 | 179.8° | 179.8° |
| C04 | C05 | C06 | H061 | 169.6° | 179.9° |
| C05 | C06 | C07 | C08 | 63.5° | 73.1° |
| C05 | C06 | C07 | C21 | 117.7° | 120.0° |
| C05 | C06 | C07 | H061 | 119.4° | 120.1° |
| C05 | C06 | C21 | H061 | 117.6° | 120.1° |
| C05 | C06 | C07 | C16 | 111.8° | 107.0° |
| C05 | C06 | C21 | C22 | 66.5° | 72.7° |
| C05 | C06 | C21 | C18 | 114.7° | 107.0° |
| C06 | C05 | C24 | H241 | 0.3° | 0.0° |
| C06 | C05 | C04 | H041 | 0.2° | 0.0° |
| N09 | C08 | C07 | C06 | 177.2° | 179.5° |
| C08 | N09 | C10 | H091 | 180.0° | 180.0° |
| N09 | C08 | C07 | C16 | 1.6° | 0.6° |
| C08 | N09 | C10 | O14 | 179.2° | 179.9° |
| C08 | N09 | C10 | N11 | 0.6° | 0.4° |
| C08 | C07 | C06 | C16 | 175.4° | 180.0° |
| C08 | C07 | C06 | C21 | 178.8° | 166.9° |
| C07 | C08 | N09 | C10 | 1.1° | 0.0° |
| C08 | C07 | C16 | N11 | 1.8° | 0.7° |
| C08 | C07 | C16 | N17 | 179.2° | 179.2° |
| C08 | C07 | C06 | H061 | 55.9° | 47.0° |
| C07 | C08 | N09 | H091 | 178.9° | 180.0° |
| O23 | C22 | C21 | C06 | 1.8° | 0.3° |
| O23 | C22 | C21 | O20 | 179.8° | 179.9° |
| O23 | C22 | C21 | C18 | 177.2° | 179.9° |
| O23 | C22 | O20 | C19 | 174.0° | 180.0° |
| C07 | C06 | C21 | H061 | 122.5° | 119.9° |
| C07 | C06 | C21 | C22 | 173.7° | 167.3° |
| C07 | C06 | C21 | C18 | 5.1° | 12.9° |
| C06 | C07 | C16 | N11 | 177.5° | 179.3° |
| C06 | C07 | C16 | N17 | 3.5° | 0.8° |
| C21 | C06 | C07 | C16 | 5.8° | 13.0° |
| C06 | C21 | C22 | C18 | 179.0° | 179.8° |
| C06 | C21 | C22 | O20 | 178.1° | 179.6° |
| C06 | C21 | C18 | N17 | 2.0° | 0.5° |
| C06 | C21 | C18 | C19 | 177.8° | 179.6° |
| N09 | C10 | O14 | N11 | 179.9° | 179.7° |
| N09 | C10 | N11 | C16 | 0.8° | 0.3° |
| N09 | C10 | N11 | C12 | 178.5° | 179.8° |
| C07 | C16 | N11 | C10 | 1.4° | 0.3° |
| C07 | C16 | N11 | N17 | 178.9° | 179.9° |
| C07 | C16 | N17 | C18 | 0.0° | 13.3° |
| C07 | C16 | N11 | C12 | 177.8° | 179.6° |
| C16 | C07 | C06 | H061 | 128.8° | 132.9° |
| C07 | C16 | N17 | H171 | 180.0° | 166.7° |
| C21 | C22 | O20 | C19 | 6.1° | 0.1° |
| C22 | C21 | C18 | N17 | 177.1° | 179.7° |
| C22 | C21 | C18 | C19 | 1.3° | 0.2° |
| C22 | C21 | C06 | H061 | 51.2° | 47.4° |
| O20 | C22 | C21 | C18 | 3.0° | 0.2° |
| C22 | O20 | C19 | C18 | 6.4° | 0.0° |
| C22 | O20 | C19 | H191 | 125.1° | 119.0° |
| C22 | O20 | C19 | H192 | 112.2° | 118.9° |
| C21 | C18 | N17 | C16 | 0.9° | 13.5° |
| C21 | C18 | C19 | O20 | 4.6° | 0.1° |
| C21 | C18 | N17 | C19 | 175.2° | 179.9° |
| C18 | C21 | C06 | H061 | 127.7° | 132.9° |
| C21 | C18 | N17 | H171 | 179.1° | 166.6° |
| C21 | C18 | C19 | H191 | 123.3° | 119.0° |
| C21 | C18 | C19 | H192 | 114.0° | 118.9° |
| O14 | C10 | N11 | C16 | 179.1° | 179.9° |
| O14 | C10 | N11 | C12 | 1.6° | 0.1° |
| O14 | C10 | N09 | H091 | 0.8° | 0.1° |
| C10 | N11 | C16 | C12 | 179.3° | 179.9° |
| C10 | N11 | C16 | N17 | 179.6° | 179.6° |
| C10 | N11 | C12 | C13 | 90.1° | 90.0° |
| N11 | C10 | N09 | H091 | 179.4° | 179.6° |
| C10 | N11 | C12 | H121 | 149.1° | 30.1° |
| C10 | N11 | C12 | H122 | 30.8° | 150.0° |
| N11 | C16 | N17 | C18 | 179.0° | 166.6° |
| C16 | N11 | C12 | C13 | 90.7° | 90.0° |
| C16 | N11 | C12 | H121 | 30.1° | 150.0° |
| C16 | N11 | C12 | H122 | 148.5° | 30.1° |
| N11 | C16 | N17 | H171 | 1.0° | 13.3° |
| C16 | N17 | C18 | H171 | 180.0° | 180.0° |
| C16 | N17 | C18 | C19 | 174.4° | 166.4° |
| N17 | C16 | N11 | C12 | 1.1° | 0.4° |
| O20 | C19 | C18 | N17 | 179.7° | 179.8° |
| O20 | C19 | C18 | H191 | 118.7° | 118.9° |
| O20 | C19 | C18 | H192 | 118.6° | 119.0° |
| O20 | C19 | H191 | H192 | 123.8° | 122.1° |
| N17 | C18 | C19 | H191 | 61.0° | 60.9° |
| N17 | C18 | C19 | H192 | 61.7° | 61.2° |
| C19 | C18 | N17 | H171 | 5.6° | 13.5° |
| C18 | C19 | H191 | H192 | 123.8° | 122.2° |
| N11 | C12 | C13 | H121 | 120.8° | 120.0° |
| N11 | C12 | C13 | H122 | 120.8° | 120.0° |
| N11 | C12 | C13 | H132 | 180.0° | 60.0° |
| N11 | C12 | C13 | H131 | 60.0° | 60.0° |
| N11 | C12 | C13 | H133 | 60.0° | 180.0° |
| N11 | C12 | H121 | H122 | 117.5° | 119.9° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 117.5° | 120.0° |
| H132 | C13 | H131 | H133 | 120.0° | 120.0° |
| H132 | C13 | C12 | H121 | 59.2° | 60.0° |
| H132 | C13 | C12 | H122 | 59.2° | 180.0° |
| H131 | C13 | C12 | H121 | 179.2° | 180.0° |
| H131 | C13 | C12 | H122 | 60.8° | 60.0° |
| H133 | C13 | C12 | H121 | 60.8° | 60.0° |
| H133 | C13 | C12 | H122 | 179.2° | 60.0° |
| H241 | C24 | C25 | H251 | 0.1° | 0.3° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 0.2° | 0.4° |
