RD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.54Å | 1.56Å | |
| C24 | C21 | sing | 1.52Å | 1.57Å | |
| C18 | N19 | doub | 1.32Å | 1.37Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.37Å | Aromatic |
| N19 | C06 | sing | 1.33Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.60Å | |
| C20 | N05 | sing | 1.49Å | 1.47Å | |
| C23 | C22 | sing | 1.54Å | 1.52Å | |
| C21 | C22 | sing | 1.52Å | 1.58Å | |
| C21 | C03 | sing | 1.53Å | 1.56Å | |
| N17 | C16 | doub | 1.33Å | 1.39Å | Aromatic |
| F25 | C03 | sing | 1.40Å | 1.32Å | |
| C06 | N05 | sing | 1.38Å | 1.51Å | |
| C06 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| N05 | C04 | sing | 1.48Å | 1.56Å | |
| C03 | C04 | sing | 1.54Å | 1.54Å | |
| C03 | C02 | sing | 1.51Å | 1.65Å | |
| C16 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.44Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.46Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.29Å | |
| C02 | O26 | sing | 1.34Å | 1.21Å | |
| N15 | C09 | sing | 1.38Å | 1.46Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | BR14 | sing | 1.89Å | 1.97Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| O26 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C21 | 89.9° | 86.7° |
| C24 | C23 | C22 | 90.8° | 87.3° |
| C24 | C23 | H231 | 113.9° | 113.6° |
| C24 | C23 | H232 | 113.9° | 113.6° |
| C23 | C24 | H242 | 114.1° | 113.7° |
| C23 | C24 | H241 | 114.1° | 113.7° |
| C24 | C21 | C20 | 137.4° | 116.0° |
| C24 | C21 | C22 | 88.3° | 88.4° |
| C24 | C21 | C03 | 110.6° | 116.2° |
| C21 | C24 | H242 | 114.1° | 113.7° |
| C21 | C24 | H241 | 114.1° | 113.7° |
| N19 | C18 | N17 | 126.2° | 122.7° |
| C18 | N19 | C06 | 118.8° | 120.9° |
| N19 | C18 | H181 | 116.9° | 118.7° |
| C18 | N17 | C16 | 112.6° | 120.8° |
| N17 | C18 | H181 | 116.9° | 118.7° |
| N19 | C06 | N05 | 121.5° | 120.7° |
| N19 | C06 | C07 | 121.2° | 118.5° |
| C21 | C20 | N05 | 107.4° | 103.1° |
| C20 | C21 | C22 | 95.0° | 116.0° |
| C20 | C21 | C03 | 104.9° | 104.4° |
| C21 | C20 | H201 | 110.0° | 110.7° |
| C21 | C20 | H202 | 110.0° | 110.7° |
| C20 | N05 | C06 | 115.2° | 111.0° |
| C20 | N05 | C04 | 106.0° | 106.0° |
| N05 | C20 | H201 | 110.0° | 110.7° |
| N05 | C20 | H202 | 110.0° | 110.7° |
| C23 | C22 | C21 | 90.7° | 86.7° |
| C23 | C22 | H221 | 113.9° | 113.6° |
| C23 | C22 | H222 | 114.0° | 113.8° |
| C22 | C23 | H231 | 113.9° | 113.6° |
| C22 | C23 | H232 | 113.9° | 113.5° |
| C22 | C21 | C03 | 118.5° | 116.1° |
| C21 | C22 | H221 | 113.9° | 113.7° |
| C21 | C22 | H222 | 113.9° | 113.7° |
| C21 | C03 | F25 | 116.1° | 110.5° |
| C21 | C03 | C04 | 101.1° | 104.7° |
| C21 | C03 | C02 | 112.4° | 110.4° |
| N17 | C16 | C07 | 127.1° | 118.4° |
| N17 | C16 | N15 | 122.9° | 133.2° |
| F25 | C03 | C04 | 109.1° | 110.4° |
| F25 | C03 | C02 | 108.1° | 110.4° |
| N05 | C06 | C07 | 117.4° | 120.8° |
| C06 | N05 | C04 | 111.1° | 111.0° |
| C06 | C07 | C16 | 114.1° | 118.8° |
| C06 | C07 | C08 | 138.0° | 134.6° |
| N05 | C04 | C03 | 109.5° | 107.1° |
| N05 | C04 | H041 | 109.5° | 109.9° |
| N05 | C04 | H042 | 109.5° | 110.1° |
| C04 | C03 | C02 | 109.7° | 110.4° |
| C03 | C04 | H041 | 109.5° | 109.9° |
| C03 | C04 | H042 | 109.4° | 109.9° |
| C03 | C02 | O01 | 113.7° | 120.0° |
| C03 | C02 | O26 | 120.6° | 120.0° |
| C07 | C16 | N15 | 110.0° | 108.4° |
| C16 | C07 | C08 | 107.9° | 106.6° |
| C16 | N15 | C09 | 105.4° | 110.5° |
| C16 | N15 | H151 | 127.3° | 124.8° |
| C07 | C08 | C09 | 106.8° | 106.3° |
| C07 | C08 | C13 | 136.2° | 133.7° |
| O01 | C02 | O26 | 125.6° | 120.0° |
| C02 | O26 | H1 | 109.5° | 117.0° |
| N15 | C09 | C08 | 110.0° | 108.3° |
| N15 | C09 | C10 | 127.4° | 132.4° |
| C09 | N15 | H151 | 127.3° | 124.7° |
| C09 | C08 | C13 | 117.0° | 120.0° |
| C08 | C09 | C10 | 122.6° | 119.4° |
| C08 | C13 | C12 | 122.4° | 119.8° |
| C08 | C13 | H131 | 118.8° | 120.1° |
| C09 | C10 | C11 | 117.2° | 120.1° |
| C09 | C10 | H101 | 121.4° | 120.0° |
| C13 | C12 | C11 | 118.0° | 120.2° |
| C13 | C12 | H121 | 121.0° | 119.9° |
| C12 | C13 | H131 | 118.8° | 120.1° |
| C10 | C11 | C12 | 122.8° | 120.5° |
| C10 | C11 | BR14 | 118.7° | 119.8° |
| C11 | C10 | H101 | 121.4° | 119.9° |
| C12 | C11 | BR14 | 118.6° | 119.7° |
| C11 | C12 | H121 | 121.0° | 119.9° |
| H041 | C04 | H042 | 109.5° | 109.9° |
| H201 | C20 | H202 | 109.5° | 110.7° |
| H221 | C22 | H222 | 109.5° | 112.9° |
| H231 | C23 | H232 | 109.5° | 112.9° |
| H242 | C24 | H241 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C21 | H242 | 116.5° | 114.5° |
| C23 | C24 | C21 | H241 | 116.6° | 114.4° |
| C23 | C24 | C21 | C20 | 99.2° | 93.6° |
| C24 | C23 | C22 | H231 | 116.7° | 114.6° |
| C24 | C23 | C22 | H232 | 116.7° | 114.6° |
| C23 | C24 | C21 | C22 | 3.6° | 24.7° |
| C23 | C24 | C21 | C03 | 116.3° | 143.3° |
| C24 | C23 | C22 | H221 | 120.4° | 138.9° |
| C24 | C23 | C22 | H222 | 113.0° | 90.0° |
| C24 | C23 | H231 | H232 | 128.9° | 131.2° |
| C23 | C24 | H242 | H241 | 129.3° | 131.5° |
| C24 | C21 | C20 | C22 | 93.0° | 101.8° |
| C24 | C21 | C20 | C03 | 145.7° | 129.1° |
| C24 | C21 | C20 | N05 | 173.2° | 165.1° |
| C24 | C21 | C22 | C03 | 112.6° | 118.5° |
| C24 | C21 | C03 | F25 | 71.0° | 30.9° |
| C24 | C21 | C03 | C04 | 171.1° | 149.7° |
| C24 | C21 | C03 | C02 | 54.2° | 91.5° |
| C24 | C21 | C20 | H201 | 67.1° | 76.5° |
| C24 | C21 | C20 | H202 | 53.5° | 46.7° |
| C24 | C21 | C22 | H221 | 120.4° | 139.2° |
| C24 | C21 | C22 | H222 | 113.0° | 89.8° |
| C21 | C24 | C23 | H231 | 112.9° | 90.1° |
| C21 | C24 | C23 | H232 | 120.5° | 139.1° |
| C21 | C24 | H242 | H241 | 129.3° | 131.4° |
| N19 | C18 | N17 | H181 | 180.0° | 179.4° |
| N19 | C18 | N17 | C16 | 0.1° | 0.3° |
| C18 | N19 | C06 | N05 | 179.3° | 179.7° |
| C18 | N19 | C06 | C07 | 0.0° | 0.5° |
| N17 | C18 | N19 | C06 | 0.1° | 0.5° |
| C18 | N17 | C16 | C07 | 0.0° | 0.1° |
| C18 | N17 | C16 | N15 | 180.0° | 180.0° |
| N19 | C06 | N05 | C20 | 2.4° | 57.1° |
| N19 | C06 | N05 | C07 | 179.3° | 179.8° |
| N19 | C06 | N05 | C04 | 122.9° | 60.6° |
| N19 | C06 | C07 | C16 | 0.1° | 0.2° |
| N19 | C06 | C07 | C08 | 180.0° | 179.8° |
| C06 | N19 | C18 | H181 | 179.9° | 180.0° |
| C21 | C20 | N05 | H201 | 119.7° | 118.4° |
| C21 | C20 | N05 | H202 | 119.7° | 118.4° |
| C20 | C21 | C22 | C23 | 141.2° | 93.6° |
| C20 | C21 | C22 | C03 | 109.9° | 123.1° |
| C20 | C21 | C03 | F25 | 84.9° | 98.1° |
| C21 | C20 | N05 | C06 | 132.7° | 158.4° |
| C21 | C20 | N05 | C04 | 9.5° | 37.8° |
| C20 | C21 | C03 | C04 | 33.0° | 20.7° |
| C20 | C21 | C03 | C02 | 149.8° | 139.5° |
| C21 | C20 | H201 | H202 | 121.0° | 123.2° |
| C20 | C21 | C22 | H221 | 102.1° | 20.8° |
| C20 | C21 | C22 | H222 | 24.4° | 151.9° |
| C20 | C21 | C24 | H242 | 17.3° | 152.0° |
| C20 | C21 | C24 | H241 | 144.2° | 20.9° |
| N05 | C20 | C21 | C22 | 93.8° | 93.2° |
| N05 | C20 | C21 | C03 | 27.5° | 36.0° |
| C20 | N05 | C06 | C04 | 120.5° | 117.6° |
| C20 | N05 | C06 | C07 | 176.9° | 123.1° |
| C20 | N05 | C04 | C03 | 12.2° | 25.0° |
| C20 | N05 | C04 | H041 | 107.8° | 94.4° |
| C20 | N05 | C04 | H042 | 132.2° | 144.4° |
| N05 | C20 | H201 | H202 | 121.0° | 123.1° |
| C23 | C22 | C21 | H221 | 116.7° | 114.4° |
| C23 | C22 | C21 | H222 | 116.7° | 114.6° |
| C23 | C22 | C21 | C03 | 108.9° | 143.3° |
| C23 | C22 | H221 | H222 | 128.9° | 131.5° |
| C22 | C23 | H231 | H232 | 128.8° | 131.1° |
| C22 | C23 | C24 | H242 | 112.8° | 90.0° |
| C22 | C23 | C24 | H241 | 120.3° | 138.9° |
| C22 | C21 | C03 | F25 | 170.7° | 132.8° |
| C22 | C21 | C03 | C04 | 71.4° | 108.3° |
| C22 | C21 | C03 | C02 | 45.5° | 10.5° |
| C22 | C21 | C20 | H201 | 25.8° | 25.2° |
| C22 | C21 | C20 | H202 | 146.5° | 148.4° |
| C21 | C22 | H221 | H222 | 128.9° | 131.4° |
| C21 | C22 | C23 | H231 | 113.0° | 90.1° |
| C21 | C22 | C23 | H232 | 120.5° | 139.1° |
| C22 | C21 | C24 | H242 | 112.9° | 89.7° |
| C22 | C21 | C24 | H241 | 120.2° | 139.2° |
| C21 | C03 | F25 | C04 | 113.4° | 115.4° |
| C21 | C03 | F25 | C02 | 127.4° | 122.3° |
| C21 | C03 | C04 | N05 | 28.4° | 2.0° |
| C21 | C03 | C04 | C02 | 118.9° | 118.8° |
| C21 | C03 | C02 | O01 | 120.5° | 103.3° |
| C21 | C03 | C02 | O26 | 59.2° | 76.9° |
| C21 | C03 | C04 | H041 | 91.6° | 117.4° |
| C21 | C03 | C04 | H042 | 148.4° | 121.5° |
| C03 | C21 | C20 | H201 | 147.1° | 154.4° |
| C03 | C21 | C20 | H202 | 92.2° | 82.5° |
| C03 | C21 | C22 | H221 | 7.8° | 102.3° |
| C03 | C21 | C22 | H222 | 134.4° | 28.7° |
| C03 | C21 | C24 | H242 | 127.2° | 28.8° |
| C03 | C21 | C24 | H241 | 0.3° | 102.3° |
| N17 | C16 | C07 | C06 | 0.1° | 0.0° |
| N17 | C16 | C07 | N15 | 180.0° | 179.9° |
| N17 | C16 | C07 | C08 | 180.0° | 180.0° |
| N17 | C16 | N15 | C09 | 180.0° | 180.0° |
| C16 | N17 | C18 | H181 | 179.9° | 179.8° |
| N17 | C16 | N15 | H151 | 0.0° | 0.1° |
| F25 | C03 | C04 | N05 | 94.5° | 120.9° |
| F25 | C03 | C04 | C02 | 118.2° | 122.3° |
| F25 | C03 | C02 | O01 | 9.0° | 134.3° |
| F25 | C03 | C02 | O26 | 171.3° | 45.5° |
| F25 | C03 | C04 | H041 | 145.5° | 1.6° |
| F25 | C03 | C04 | H042 | 25.5° | 119.5° |
| C06 | N05 | C04 | C03 | 113.6° | 145.7° |
| N05 | C06 | C07 | C16 | 179.4° | 179.9° |
| N05 | C06 | C07 | C08 | 0.7° | 0.0° |
| C06 | N05 | C04 | H041 | 126.4° | 26.3° |
| C06 | N05 | C04 | H042 | 6.3° | 94.9° |
| C06 | N05 | C20 | H201 | 107.6° | 83.2° |
| C06 | N05 | C20 | H202 | 13.1° | 40.0° |
| C07 | C06 | N05 | C04 | 56.4° | 119.3° |
| C06 | C07 | C16 | C08 | 179.9° | 180.0° |
| C06 | C07 | C16 | N15 | 179.9° | 180.0° |
| C06 | C07 | C08 | C09 | 179.9° | 180.0° |
| C06 | C07 | C08 | C13 | 0.1° | 0.0° |
| N05 | C04 | C03 | H041 | 120.0° | 119.4° |
| N05 | C04 | C03 | H042 | 120.0° | 119.5° |
| N05 | C04 | C03 | C02 | 147.3° | 116.8° |
| N05 | C04 | H041 | H042 | 120.0° | 121.3° |
| C04 | N05 | C20 | H201 | 129.2° | 156.2° |
| C04 | N05 | C20 | H202 | 110.2° | 80.6° |
| C04 | C03 | C02 | O01 | 127.9° | 12.0° |
| C04 | C03 | C02 | O26 | 52.4° | 167.8° |
| C03 | C04 | H041 | H042 | 120.0° | 121.1° |
| C03 | C02 | O01 | O26 | 179.7° | 179.7° |
| C02 | C03 | C04 | H041 | 27.3° | 123.8° |
| C02 | C03 | C04 | H042 | 92.7° | 2.7° |
| C03 | C02 | O26 | H1 | 179.7° | 180.0° |
| C07 | C16 | N15 | C09 | 0.0° | 0.0° |
| C16 | C07 | C08 | C09 | 0.0° | 0.0° |
| C16 | C07 | C08 | C13 | 180.0° | 180.0° |
| C07 | C16 | N15 | H151 | 180.0° | 180.0° |
| N15 | C16 | C07 | C08 | 0.0° | 0.0° |
| C16 | N15 | C09 | H151 | 180.0° | 180.0° |
| C16 | N15 | C09 | C08 | 0.1° | 0.0° |
| C16 | N15 | C09 | C10 | 180.0° | 180.0° |
| C07 | C08 | C09 | N15 | 0.0° | 0.0° |
| C07 | C08 | C09 | C13 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 180.0° | 180.0° |
| C07 | C08 | C13 | C12 | 180.0° | 180.0° |
| C07 | C08 | C13 | H131 | 0.0° | 0.0° |
| O01 | C02 | O26 | H1 | 0.0° | 0.2° |
| N15 | C09 | C08 | C10 | 180.0° | 180.0° |
| N15 | C09 | C08 | C13 | 179.9° | 180.0° |
| N15 | C09 | C10 | C11 | 179.9° | 180.0° |
| N15 | C09 | C10 | H101 | 0.1° | 0.0° |
| C09 | C08 | C13 | C12 | 0.0° | 0.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.0° |
| C08 | C09 | C10 | H101 | 179.9° | 180.0° |
| C09 | C08 | C13 | H131 | 180.0° | 180.0° |
| C08 | C09 | N15 | H151 | 180.0° | 180.0° |
| C13 | C08 | C09 | C10 | 0.0° | 0.0° |
| C08 | C13 | C12 | H131 | 180.0° | 180.0° |
| C08 | C13 | C12 | C11 | 0.1° | 0.0° |
| C08 | C13 | C12 | H121 | 179.9° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C09 | C10 | C11 | BR14 | 180.0° | 180.0° |
| C10 | C09 | N15 | H151 | 0.0° | 0.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | BR14 | 180.0° | 180.0° |
| C10 | C11 | C12 | BR14 | 179.9° | 180.0° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C12 | C11 | C10 | H101 | 179.9° | 180.0° |
| C11 | C12 | C13 | H131 | 179.9° | 180.0° |
| BR14 | C11 | C10 | H101 | 0.0° | 0.0° |
| BR14 | C11 | C12 | H121 | 0.0° | 0.0° |
| H121 | C12 | C13 | H131 | 0.1° | 0.0° |
| H221 | C22 | C23 | H231 | 3.7° | 24.3° |
| H221 | C22 | C23 | H232 | 122.8° | 106.4° |
| H222 | C22 | C23 | H231 | 130.3° | 155.4° |
| H222 | C22 | C23 | H232 | 3.8° | 24.6° |
| H231 | C23 | C24 | H242 | 130.5° | 155.4° |
| H231 | C23 | C24 | H241 | 3.6° | 24.3° |
| H232 | C23 | C24 | H242 | 3.9° | 24.6° |
| H232 | C23 | C24 | H241 | 123.0° | 106.5° |
