RA3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C24 | doub | 1.21Å | 1.26Å | |
| O25 | C24 | sing | 1.34Å | 1.26Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| O22 | C21 | sing | 1.43Å | 1.43Å | |
| O22 | C03 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | N05 | sing | 1.47Å | 1.45Å | |
| C20 | N05 | sing | 1.47Å | 1.44Å | |
| N05 | C06 | sing | 1.38Å | 1.46Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | N19 | doub | 1.33Å | 1.32Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.43Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | F14 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | N15 | sing | 1.38Å | 1.34Å | Aromatic |
| C18 | N17 | doub | 1.32Å | 1.31Å | Aromatic |
| C16 | N17 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.33Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O25 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C24 | O25 | 120.1° | 120.0° |
| O26 | C24 | C23 | 119.8° | 120.0° |
| O25 | C24 | C23 | 120.0° | 120.0° |
| C24 | O25 | H1 | 109.5° | 117.0° |
| C24 | C23 | C21 | 112.3° | 109.5° |
| C24 | C23 | H231 | 108.8° | 109.5° |
| C24 | C23 | H232 | 108.8° | 109.4° |
| O01 | C02 | C03 | 109.0° | 109.5° |
| O01 | C02 | H022 | 109.6° | 109.5° |
| O01 | C02 | H021 | 109.6° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C23 | C21 | O22 | 108.9° | 109.5° |
| C23 | C21 | C20 | 110.8° | 109.5° |
| C23 | C21 | H211 | 108.0° | 109.5° |
| C21 | C23 | H231 | 108.8° | 109.5° |
| C21 | C23 | H232 | 108.8° | 109.5° |
| C02 | C03 | O22 | 108.7° | 109.5° |
| C02 | C03 | C04 | 109.7° | 109.5° |
| C03 | C02 | H022 | 109.6° | 109.4° |
| C03 | C02 | H021 | 109.6° | 109.5° |
| C02 | C03 | H031 | 108.3° | 109.5° |
| C21 | O22 | C03 | 109.1° | 113.7° |
| O22 | C21 | C20 | 111.7° | 109.3° |
| O22 | C21 | H211 | 109.4° | 109.5° |
| O22 | C03 | C04 | 112.2° | 109.3° |
| O22 | C03 | H031 | 109.7° | 109.5° |
| C21 | C20 | N05 | 116.7° | 109.2° |
| C21 | C20 | H201 | 107.6° | 109.5° |
| C21 | C20 | H202 | 107.6° | 109.6° |
| C20 | C21 | H211 | 108.0° | 109.5° |
| C03 | C04 | N05 | 114.4° | 109.3° |
| C04 | C03 | H031 | 108.2° | 109.6° |
| C03 | C04 | H042 | 108.2° | 109.5° |
| C03 | C04 | H041 | 108.2° | 109.5° |
| C04 | N05 | C20 | 114.8° | 110.7° |
| C04 | N05 | C06 | 114.6° | 111.0° |
| N05 | C04 | H042 | 108.2° | 109.5° |
| N05 | C04 | H041 | 108.2° | 109.5° |
| C20 | N05 | C06 | 112.3° | 111.0° |
| N05 | C20 | H201 | 107.6° | 109.5° |
| N05 | C20 | H202 | 107.6° | 109.5° |
| N05 | C06 | N19 | 119.4° | 120.8° |
| N05 | C06 | C07 | 121.5° | 120.7° |
| C12 | C13 | C08 | 119.5° | 119.9° |
| C13 | C12 | C11 | 120.7° | 120.2° |
| C12 | C13 | H131 | 120.2° | 120.0° |
| C13 | C12 | H121 | 119.6° | 119.9° |
| C13 | C08 | C07 | 133.6° | 133.7° |
| C13 | C08 | C09 | 119.7° | 120.0° |
| C08 | C13 | H131 | 120.3° | 120.1° |
| C12 | C11 | F14 | 120.4° | 119.7° |
| C12 | C11 | C10 | 119.5° | 120.5° |
| C11 | C12 | H121 | 119.6° | 119.9° |
| N19 | C06 | C07 | 119.1° | 118.5° |
| C06 | N19 | C18 | 121.4° | 120.9° |
| C06 | C07 | C08 | 137.3° | 134.6° |
| C06 | C07 | C16 | 117.5° | 118.7° |
| C07 | C08 | C09 | 106.7° | 106.2° |
| C08 | C07 | C16 | 105.2° | 106.6° |
| C08 | C09 | C10 | 120.4° | 119.3° |
| C08 | C09 | N15 | 108.5° | 108.3° |
| N19 | C18 | N17 | 121.0° | 122.7° |
| N19 | C18 | H181 | 119.5° | 118.7° |
| F14 | C11 | C10 | 120.1° | 119.8° |
| C11 | C10 | C09 | 120.2° | 120.1° |
| C11 | C10 | H101 | 119.9° | 119.9° |
| C07 | C16 | N17 | 119.4° | 118.4° |
| C07 | C16 | N15 | 109.6° | 108.4° |
| C10 | C09 | N15 | 131.1° | 132.3° |
| C09 | C10 | H101 | 119.9° | 120.0° |
| C09 | N15 | C16 | 110.0° | 110.4° |
| C09 | N15 | H151 | 125.0° | 124.9° |
| C18 | N17 | C16 | 121.6° | 120.8° |
| N17 | C18 | H181 | 119.5° | 118.7° |
| N17 | C16 | N15 | 131.0° | 133.2° |
| C16 | N15 | H151 | 125.0° | 124.7° |
| H201 | C20 | H202 | 109.5° | 109.6° |
| H022 | C02 | H021 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C24 | O25 | C23 | 179.9° | 180.0° |
| O26 | C24 | C23 | C21 | 153.1° | 0.0° |
| O26 | C24 | C23 | H231 | 86.5° | 120.0° |
| O26 | C24 | C23 | H232 | 32.7° | 120.0° |
| O26 | C24 | O25 | H1 | 0.0° | 0.0° |
| O25 | C24 | C23 | C21 | 27.0° | 180.0° |
| O25 | C24 | C23 | H231 | 93.4° | 60.0° |
| O25 | C24 | C23 | H232 | 147.4° | 60.0° |
| C24 | C23 | C21 | H231 | 120.4° | 120.0° |
| C24 | C23 | C21 | H232 | 120.4° | 120.0° |
| C24 | C23 | C21 | O22 | 67.5° | 65.2° |
| C24 | C23 | C21 | C20 | 169.3° | 175.0° |
| C24 | C23 | C21 | H211 | 51.2° | 54.9° |
| C24 | C23 | H231 | H232 | 118.7° | 120.0° |
| C23 | C24 | O25 | H1 | 179.9° | 180.0° |
| O01 | C02 | C03 | H022 | 119.9° | 120.0° |
| O01 | C02 | C03 | H021 | 119.9° | 120.1° |
| O01 | C02 | C03 | O22 | 65.6° | 65.2° |
| O01 | C02 | C03 | C04 | 171.5° | 175.0° |
| O01 | C02 | H022 | H021 | 120.2° | 120.1° |
| O01 | C02 | C03 | H031 | 53.6° | 54.9° |
| C23 | C21 | O22 | C20 | 122.7° | 119.9° |
| C23 | C21 | O22 | H211 | 117.8° | 120.1° |
| C23 | C21 | O22 | C03 | 178.4° | 178.6° |
| C23 | C21 | C20 | H211 | 118.1° | 120.1° |
| C23 | C21 | C20 | N05 | 167.4° | 176.8° |
| C23 | C21 | C20 | H201 | 46.3° | 56.9° |
| C23 | C21 | C20 | H202 | 71.6° | 63.2° |
| C21 | C23 | H231 | H232 | 118.7° | 120.0° |
| C02 | C03 | O22 | C21 | 176.8° | 178.6° |
| C02 | C03 | O22 | C04 | 121.4° | 120.0° |
| C02 | C03 | O22 | H031 | 118.3° | 120.0° |
| C02 | C03 | C04 | H031 | 117.9° | 120.1° |
| C02 | C03 | C04 | N05 | 171.0° | 176.8° |
| C03 | C02 | H022 | H021 | 120.2° | 119.9° |
| C02 | C03 | C04 | H042 | 68.2° | 63.3° |
| C02 | C03 | C04 | H041 | 50.3° | 56.9° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| O22 | C21 | C20 | H211 | 120.3° | 120.0° |
| C21 | O22 | C03 | C04 | 61.8° | 58.6° |
| O22 | C21 | C20 | N05 | 45.8° | 56.9° |
| O22 | C21 | C20 | H201 | 75.2° | 63.0° |
| O22 | C21 | C20 | H202 | 166.9° | 176.8° |
| C21 | O22 | C03 | H031 | 58.6° | 61.4° |
| O22 | C21 | C23 | H231 | 53.0° | 174.8° |
| O22 | C21 | C23 | H232 | 172.1° | 54.8° |
| C03 | O22 | C21 | C20 | 58.9° | 58.7° |
| O22 | C03 | C04 | H031 | 121.2° | 120.0° |
| O22 | C03 | C04 | N05 | 50.2° | 56.9° |
| O22 | C03 | C02 | H022 | 174.5° | 54.9° |
| O22 | C03 | C02 | H021 | 54.3° | 174.8° |
| O22 | C03 | C04 | H042 | 170.9° | 176.8° |
| O22 | C03 | C04 | H041 | 70.5° | 63.1° |
| C03 | O22 | C21 | H211 | 60.6° | 61.3° |
| C21 | C20 | N05 | C04 | 33.6° | 58.6° |
| C21 | C20 | N05 | H201 | 121.1° | 119.9° |
| C21 | C20 | N05 | H202 | 121.0° | 120.0° |
| C21 | C20 | N05 | C06 | 99.6° | 65.1° |
| C21 | C20 | H201 | H202 | 116.7° | 120.2° |
| C20 | C21 | C23 | H231 | 70.2° | 55.0° |
| C20 | C21 | C23 | H232 | 48.9° | 65.0° |
| C03 | C04 | N05 | H042 | 120.7° | 120.0° |
| C03 | C04 | N05 | H041 | 120.7° | 120.0° |
| C03 | C04 | N05 | C20 | 35.0° | 58.6° |
| C03 | C04 | N05 | C06 | 97.1° | 65.1° |
| C04 | C03 | C02 | H022 | 51.5° | 65.0° |
| C04 | C03 | C02 | H021 | 68.6° | 55.0° |
| C03 | C04 | H042 | H041 | 117.7° | 120.1° |
| C04 | N05 | C20 | C06 | 133.2° | 123.7° |
| C04 | N05 | C06 | N19 | 11.2° | 61.7° |
| C04 | N05 | C06 | C07 | 168.6° | 118.7° |
| C04 | N05 | C20 | H201 | 87.5° | 61.3° |
| C04 | N05 | C20 | H202 | 154.6° | 178.6° |
| N05 | C04 | C03 | H031 | 71.0° | 63.1° |
| N05 | C04 | H042 | H041 | 117.8° | 120.1° |
| C20 | N05 | C06 | N19 | 122.1° | 61.8° |
| C20 | N05 | C06 | C07 | 58.2° | 117.7° |
| N05 | C20 | H201 | H202 | 116.7° | 120.1° |
| C20 | N05 | C04 | H042 | 155.8° | 178.6° |
| C20 | N05 | C04 | H041 | 85.7° | 61.3° |
| N05 | C20 | C21 | H211 | 74.5° | 63.1° |
| N05 | C06 | N19 | C07 | 179.7° | 179.5° |
| N05 | C06 | C07 | C08 | 0.1° | 0.5° |
| N05 | C06 | N19 | C18 | 179.3° | 180.0° |
| N05 | C06 | C07 | C16 | 179.4° | 179.8° |
| C06 | N05 | C20 | H201 | 139.3° | 175.0° |
| C06 | N05 | C20 | H202 | 21.4° | 54.8° |
| C06 | N05 | C04 | H042 | 23.7° | 54.9° |
| C06 | N05 | C04 | H041 | 142.2° | 174.9° |
| C12 | C13 | C08 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | C13 | C08 | C07 | 180.0° | 180.0° |
| C12 | C13 | C08 | C09 | 0.0° | 0.0° |
| C13 | C12 | C11 | F14 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.1° |
| C08 | C13 | C12 | C11 | 0.3° | 0.1° |
| C13 | C08 | C07 | C06 | 0.6° | 0.0° |
| C13 | C08 | C07 | C09 | 180.0° | 180.0° |
| C13 | C08 | C07 | C16 | 179.9° | 179.4° |
| C13 | C08 | C09 | C10 | 0.3° | 0.0° |
| C13 | C08 | C09 | N15 | 179.9° | 179.0° |
| C08 | C13 | C12 | H121 | 179.6° | 180.0° |
| C12 | C11 | F14 | C10 | 179.9° | 179.9° |
| C12 | C11 | C10 | C09 | 0.0° | 0.1° |
| C11 | C12 | C13 | H131 | 179.7° | 179.9° |
| C12 | C11 | C10 | H101 | 180.0° | 179.9° |
| N19 | C06 | C07 | C08 | 179.6° | 180.0° |
| N19 | C06 | C07 | C16 | 0.9° | 0.7° |
| C06 | N19 | C18 | N17 | 0.5° | 0.0° |
| C06 | N19 | C18 | H181 | 179.5° | 179.8° |
| C06 | C07 | C08 | C16 | 179.5° | 179.3° |
| C06 | C07 | C08 | C09 | 179.4° | 180.0° |
| C07 | C06 | N19 | C18 | 1.0° | 0.5° |
| C06 | C07 | C16 | N17 | 0.4° | 0.5° |
| C06 | C07 | C16 | N15 | 179.3° | 179.5° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C07 | C08 | C09 | N15 | 0.1° | 1.0° |
| C08 | C07 | C16 | N17 | 180.0° | 179.9° |
| C08 | C07 | C16 | N15 | 0.3° | 0.1° |
| C07 | C08 | C13 | H131 | 0.0° | 0.0° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | C08 | C07 | C16 | 0.1° | 0.7° |
| C08 | C09 | C10 | N15 | 179.5° | 178.7° |
| C08 | C09 | N15 | C16 | 0.3° | 1.0° |
| C09 | C08 | C13 | H131 | 180.0° | 180.0° |
| C08 | C09 | C10 | H101 | 179.7° | 179.9° |
| C08 | C09 | N15 | H151 | 179.7° | 179.6° |
| N19 | C18 | N17 | H181 | 180.0° | 179.7° |
| N19 | C18 | N17 | C16 | 0.0° | 0.3° |
| F14 | C11 | C10 | C09 | 179.9° | 180.0° |
| F14 | C11 | C12 | H121 | 0.5° | 0.0° |
| F14 | C11 | C10 | H101 | 0.1° | 0.0° |
| C11 | C10 | C09 | H101 | 180.0° | 180.0° |
| C11 | C10 | C09 | N15 | 179.7° | 178.7° |
| C10 | C11 | C12 | H121 | 179.6° | 179.9° |
| C07 | C16 | N15 | C09 | 0.4° | 0.6° |
| C07 | C16 | N17 | C18 | 0.0° | 0.0° |
| C07 | C16 | N17 | N15 | 179.7° | 180.0° |
| C07 | C16 | N15 | H151 | 179.6° | 180.0° |
| C10 | C09 | N15 | C16 | 179.9° | 179.8° |
| C10 | C09 | N15 | H151 | 0.2° | 0.8° |
| C09 | N15 | C16 | N17 | 179.9° | 179.4° |
| C09 | N15 | C16 | H151 | 180.0° | 179.4° |
| N15 | C09 | C10 | H101 | 0.2° | 1.2° |
| C18 | N17 | C16 | N15 | 179.7° | 180.0° |
| C16 | N17 | C18 | H181 | 180.0° | 180.0° |
| N17 | C16 | N15 | H151 | 0.1° | 0.0° |
| H131 | C13 | C12 | H121 | 0.4° | 0.0° |
| H201 | C20 | C21 | H211 | 164.4° | 177.0° |
| H202 | C20 | C21 | H211 | 46.5° | 56.8° |
| H022 | C02 | C03 | H031 | 66.4° | 174.9° |
| H022 | C02 | O01 | H011 | 60.1° | 60.0° |
| H021 | C02 | C03 | H031 | 173.5° | 65.2° |
| H021 | C02 | O01 | H011 | 60.1° | 59.9° |
| H031 | C03 | C04 | H042 | 49.7° | 56.8° |
| H031 | C03 | C04 | H041 | 168.3° | 176.9° |
| H211 | C21 | C23 | H231 | 171.6° | 65.1° |
| H211 | C21 | C23 | H232 | 69.2° | 174.9° |
