RGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.34Å | 1.27Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C22 | C23 | sing | 1.54Å | 1.56Å | |
| C22 | C21 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C03 | C21 | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.55Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.57Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C04 | N05 | sing | 1.49Å | 1.50Å | |
| C20 | N05 | sing | 1.49Å | 1.50Å | |
| N05 | C06 | sing | 1.38Å | 1.45Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.44Å | Aromatic |
| C06 | N19 | sing | 1.33Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.47Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.42Å | Aromatic |
| C07 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | F14 | sing | 1.35Å | 1.31Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | N15 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | N17 | doub | 1.33Å | 1.34Å | 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 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C02 | O01 | 123.6° | 120.0° |
| O25 | C02 | C03 | 117.0° | 120.0° |
| O01 | C02 | C03 | 119.4° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C02 | C03 | C21 | 111.6° | 110.4° |
| C02 | C03 | C04 | 112.5° | 110.4° |
| C02 | C03 | H031 | 109.8° | 110.3° |
| C23 | C22 | C21 | 88.7° | 86.8° |
| C22 | C23 | C24 | 88.0° | 87.3° |
| C23 | C22 | H222 | 114.4° | 113.6° |
| C23 | C22 | H221 | 114.4° | 113.7° |
| C22 | C23 | H232 | 114.5° | 113.6° |
| C22 | C23 | H231 | 114.5° | 113.5° |
| C22 | C21 | C03 | 121.0° | 115.6° |
| C22 | C21 | C24 | 86.4° | 88.1° |
| C22 | C21 | C20 | 113.1° | 115.5° |
| C21 | C22 | H222 | 114.4° | 113.6° |
| C21 | C22 | H221 | 114.4° | 113.6° |
| C23 | C24 | C21 | 89.4° | 86.8° |
| C24 | C23 | H232 | 114.5° | 113.6° |
| C24 | C23 | H231 | 114.6° | 113.6° |
| C23 | C24 | H241 | 114.3° | 113.7° |
| C23 | C24 | H242 | 114.3° | 113.7° |
| C21 | C03 | C04 | 102.5° | 104.7° |
| C03 | C21 | C24 | 117.0° | 115.7° |
| C03 | C21 | C20 | 102.5° | 106.1° |
| C21 | C03 | H031 | 110.3° | 110.4° |
| C03 | C04 | N05 | 101.9° | 104.7° |
| C04 | C03 | H031 | 109.9° | 110.5° |
| C03 | C04 | H041 | 111.3° | 110.4° |
| C03 | C04 | H042 | 111.3° | 110.4° |
| C24 | C21 | C20 | 117.5° | 115.6° |
| C21 | C24 | H241 | 114.2° | 113.6° |
| C21 | C24 | H242 | 114.3° | 113.7° |
| C21 | C20 | N05 | 106.5° | 104.3° |
| C21 | C20 | H202 | 110.2° | 110.5° |
| C21 | C20 | H201 | 110.2° | 110.6° |
| C04 | N05 | C20 | 107.2° | 104.4° |
| C04 | N05 | C06 | 116.8° | 111.0° |
| N05 | C04 | H041 | 111.3° | 110.4° |
| N05 | C04 | H042 | 111.3° | 110.3° |
| C20 | N05 | C06 | 123.4° | 111.0° |
| N05 | C20 | H202 | 110.2° | 110.4° |
| N05 | C20 | H201 | 110.2° | 110.4° |
| N05 | C06 | C07 | 128.5° | 120.7° |
| N05 | C06 | N19 | 111.9° | 120.8° |
| C12 | C13 | C08 | 121.8° | 119.8° |
| C13 | C12 | C11 | 119.9° | 120.3° |
| C12 | C13 | H131 | 119.1° | 120.1° |
| C13 | C12 | H121 | 120.0° | 119.8° |
| C13 | C08 | C07 | 136.8° | 133.7° |
| C13 | C08 | C09 | 115.7° | 120.0° |
| C08 | C13 | H131 | 119.1° | 120.1° |
| C12 | C11 | F14 | 119.7° | 119.7° |
| C12 | C11 | C10 | 121.4° | 120.5° |
| C11 | C12 | H121 | 120.0° | 119.9° |
| C07 | C06 | N19 | 119.6° | 118.5° |
| C06 | C07 | C08 | 143.0° | 134.6° |
| C06 | C07 | C16 | 112.8° | 118.7° |
| C06 | N19 | C18 | 119.6° | 121.0° |
| C07 | C08 | C09 | 107.4° | 106.3° |
| C08 | C07 | C16 | 104.2° | 106.6° |
| C08 | C09 | C10 | 124.0° | 119.4° |
| C08 | C09 | N15 | 109.7° | 108.3° |
| C07 | C16 | N15 | 111.0° | 108.4° |
| C07 | C16 | N17 | 127.6° | 118.5° |
| N19 | C18 | N17 | 126.9° | 122.6° |
| N19 | C18 | H181 | 116.6° | 118.7° |
| F14 | C11 | C10 | 118.9° | 119.8° |
| C11 | C10 | C09 | 117.1° | 120.0° |
| C11 | C10 | H101 | 121.4° | 120.0° |
| C10 | C09 | N15 | 126.3° | 132.3° |
| C09 | C10 | H101 | 121.4° | 120.0° |
| C09 | N15 | C16 | 107.7° | 110.5° |
| C09 | N15 | H151 | 126.2° | 124.8° |
| C18 | N17 | C16 | 113.4° | 120.8° |
| N17 | C18 | H181 | 116.5° | 118.7° |
| N15 | C16 | N17 | 121.4° | 133.2° |
| C16 | N15 | H151 | 126.1° | 124.8° |
| H202 | C20 | H201 | 109.4° | 110.5° |
| H041 | C04 | H042 | 109.5° | 110.5° |
| H222 | C22 | H221 | 109.5° | 113.0° |
| H232 | C23 | H231 | 109.5° | 112.8° |
| H241 | C24 | H242 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C02 | O01 | C03 | 177.9° | 179.9° |
| O25 | C02 | C03 | C21 | 84.7° | 85.0° |
| O25 | C02 | C03 | C04 | 160.6° | 30.2° |
| O25 | C02 | C03 | H031 | 37.9° | 152.6° |
| O25 | C02 | O01 | H1 | 0.0° | 0.0° |
| O01 | C02 | C03 | C21 | 93.3° | 94.9° |
| O01 | C02 | C03 | C04 | 21.3° | 149.8° |
| O01 | C02 | C03 | H031 | 144.1° | 27.4° |
| C02 | C03 | C21 | C22 | 70.8° | 111.4° |
| C02 | C03 | C21 | C04 | 120.6° | 118.8° |
| C02 | C03 | C21 | H031 | 122.3° | 122.3° |
| C02 | C03 | C04 | H031 | 122.6° | 122.3° |
| C02 | C03 | C21 | C24 | 32.1° | 10.5° |
| C02 | C03 | C21 | C20 | 162.2° | 119.1° |
| C02 | C03 | C04 | N05 | 162.4° | 142.6° |
| C02 | C03 | C04 | H041 | 43.7° | 23.7° |
| C02 | C03 | C04 | H042 | 78.8° | 98.7° |
| C03 | C02 | O01 | H1 | 177.9° | 180.0° |
| C23 | C22 | C21 | H222 | 116.3° | 114.4° |
| C23 | C22 | C21 | H221 | 116.3° | 114.5° |
| C22 | C23 | C24 | H232 | 116.2° | 114.6° |
| C22 | C23 | C24 | H231 | 116.2° | 114.6° |
| C23 | C22 | C21 | C03 | 139.9° | 92.8° |
| C23 | C22 | C21 | C24 | 20.3° | 24.8° |
| C23 | C22 | C21 | C20 | 98.1° | 142.4° |
| C23 | C22 | H222 | H221 | 129.8° | 131.5° |
| C22 | C23 | H232 | H231 | 130.2° | 131.1° |
| C22 | C23 | C24 | H241 | 137.2° | 139.1° |
| C22 | C23 | C24 | H242 | 95.7° | 89.8° |
| C22 | C21 | C03 | C24 | 102.9° | 100.9° |
| C22 | C21 | C03 | C20 | 127.1° | 129.5° |
| C22 | C21 | C03 | C04 | 168.6° | 129.8° |
| C22 | C21 | C24 | C20 | 114.2° | 117.5° |
| C22 | C21 | C20 | N05 | 157.1° | 106.4° |
| C22 | C21 | C20 | H202 | 37.5° | 12.3° |
| C22 | C21 | C20 | H201 | 83.4° | 134.9° |
| C22 | C21 | C03 | H031 | 51.6° | 10.8° |
| C21 | C22 | H222 | H221 | 129.9° | 131.4° |
| C21 | C22 | C23 | H232 | 95.4° | 139.3° |
| C21 | C22 | C23 | H231 | 136.9° | 89.9° |
| C22 | C21 | C24 | H241 | 137.0° | 139.4° |
| C22 | C21 | C24 | H242 | 95.9° | 89.7° |
| C23 | C24 | C21 | C03 | 143.7° | 92.8° |
| C23 | C24 | C21 | H241 | 116.5° | 114.5° |
| C23 | C24 | C21 | H242 | 116.5° | 114.5° |
| C23 | C24 | C21 | C20 | 93.6° | 142.4° |
| C24 | C23 | C22 | H222 | 95.6° | 89.7° |
| C24 | C23 | C22 | H221 | 137.1° | 139.1° |
| C24 | C23 | H232 | H231 | 130.2° | 131.2° |
| C23 | C24 | H241 | H242 | 129.6° | 131.4° |
| C21 | C03 | C04 | H031 | 117.3° | 118.9° |
| C03 | C21 | C24 | C20 | 122.6° | 124.9° |
| C21 | C03 | C04 | N05 | 42.4° | 23.7° |
| C03 | C21 | C20 | N05 | 25.1° | 23.2° |
| C03 | C21 | C20 | H202 | 94.4° | 141.9° |
| C03 | C21 | C20 | H201 | 144.7° | 95.5° |
| C21 | C03 | C04 | H041 | 76.4° | 95.1° |
| C21 | C03 | C04 | H042 | 161.2° | 142.5° |
| C03 | C21 | C22 | H222 | 23.6° | 152.8° |
| C03 | C21 | C22 | H221 | 103.8° | 21.7° |
| C03 | C21 | C24 | H241 | 99.8° | 21.7° |
| C03 | C21 | C24 | H242 | 27.3° | 152.7° |
| C04 | C03 | C21 | C24 | 88.5° | 129.3° |
| C04 | C03 | C21 | C20 | 41.5° | 0.3° |
| C03 | C04 | N05 | H041 | 118.8° | 118.8° |
| C03 | C04 | N05 | H042 | 118.8° | 118.8° |
| C03 | C04 | N05 | C20 | 26.7° | 38.9° |
| C03 | C04 | N05 | C06 | 169.9° | 158.5° |
| C03 | C04 | H041 | H042 | 123.5° | 122.4° |
| C24 | C21 | C20 | N05 | 104.6° | 152.8° |
| C24 | C21 | C20 | H202 | 135.8° | 88.5° |
| C24 | C21 | C20 | H201 | 14.9° | 34.1° |
| C24 | C21 | C03 | H031 | 154.5° | 111.7° |
| C24 | C21 | C22 | H222 | 96.0° | 89.6° |
| C24 | C21 | C22 | H221 | 136.6° | 139.3° |
| C21 | C24 | C23 | H232 | 95.4° | 139.3° |
| C21 | C24 | C23 | H231 | 136.9° | 89.9° |
| C21 | C24 | H241 | H242 | 129.5° | 131.4° |
| C21 | C20 | N05 | C04 | 1.3° | 38.6° |
| C21 | C20 | N05 | H202 | 119.5° | 118.7° |
| C21 | C20 | N05 | H201 | 119.6° | 118.8° |
| C21 | C20 | N05 | C06 | 141.5° | 158.2° |
| C21 | C20 | H202 | H201 | 121.4° | 122.7° |
| C20 | C21 | C03 | H031 | 75.5° | 118.7° |
| C20 | C21 | C22 | H222 | 145.6° | 28.0° |
| C20 | C21 | C22 | H221 | 18.2° | 103.1° |
| C20 | C21 | C24 | H241 | 22.8° | 103.1° |
| C20 | C21 | C24 | H242 | 149.9° | 27.9° |
| C04 | N05 | C20 | C06 | 140.2° | 119.6° |
| C04 | N05 | C06 | C07 | 17.5° | 123.0° |
| C04 | N05 | C06 | N19 | 165.8° | 57.8° |
| C04 | N05 | C20 | H202 | 120.9° | 157.3° |
| C04 | N05 | C20 | H201 | 118.2° | 80.2° |
| N05 | C04 | C03 | H031 | 74.9° | 95.2° |
| N05 | C04 | H041 | H042 | 123.5° | 122.3° |
| C20 | N05 | C06 | C07 | 154.2° | 121.5° |
| C20 | N05 | C06 | N19 | 29.1° | 57.8° |
| N05 | C20 | H202 | H201 | 121.4° | 122.4° |
| C20 | N05 | C04 | H041 | 92.0° | 79.9° |
| C20 | N05 | C04 | H042 | 145.5° | 157.7° |
| N05 | C06 | C07 | N19 | 176.5° | 179.2° |
| N05 | C06 | C07 | C08 | 4.1° | 0.8° |
| N05 | C06 | C07 | C16 | 177.8° | 180.0° |
| N05 | C06 | N19 | C18 | 178.1° | 179.7° |
| C06 | N05 | C20 | H202 | 99.0° | 83.1° |
| C06 | N05 | C20 | H201 | 21.9° | 39.4° |
| C06 | N05 | C04 | H041 | 51.2° | 39.7° |
| C06 | N05 | C04 | H042 | 71.3° | 82.7° |
| C12 | C13 | C08 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | C13 | C08 | C07 | 179.6° | 180.0° |
| C12 | C13 | C08 | C09 | 0.1° | 0.0° |
| C13 | C12 | C11 | F14 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C08 | C13 | C12 | C11 | 0.4° | 0.0° |
| C13 | C08 | C07 | C06 | 1.9° | 0.1° |
| C13 | C08 | C07 | C09 | 179.7° | 180.0° |
| C13 | C08 | C07 | C16 | 179.8° | 179.4° |
| C13 | C08 | C09 | C10 | 0.8° | 0.0° |
| C13 | C08 | C09 | N15 | 179.5° | 179.0° |
| C08 | C13 | C12 | H121 | 179.6° | 180.0° |
| C12 | C11 | F14 | C10 | 179.7° | 180.0° |
| C12 | C11 | C10 | C09 | 0.5° | 0.0° |
| C11 | C12 | C13 | H131 | 179.6° | 180.0° |
| C12 | C11 | C10 | H101 | 179.5° | 179.9° |
| C06 | C07 | C08 | C16 | 178.2° | 179.3° |
| C06 | C07 | C08 | C09 | 178.4° | 180.0° |
| C07 | C06 | N19 | C18 | 1.1° | 0.5° |
| C06 | C07 | C16 | N15 | 179.4° | 179.5° |
| C06 | C07 | C16 | N17 | 1.3° | 0.5° |
| N19 | C06 | C07 | C08 | 179.5° | 180.0° |
| N19 | C06 | C07 | C16 | 1.3° | 0.8° |
| C06 | N19 | C18 | N17 | 0.6° | 0.1° |
| C06 | N19 | C18 | H181 | 179.4° | 179.7° |
| C07 | C08 | C09 | C10 | 178.9° | 180.0° |
| C07 | C08 | C09 | N15 | 0.2° | 1.0° |
| C08 | C07 | C16 | N15 | 0.5° | 0.0° |
| C08 | C07 | C16 | N17 | 179.9° | 179.9° |
| C07 | C08 | C13 | H131 | 0.4° | 0.0° |
| C09 | C08 | C07 | C16 | 0.2° | 0.7° |
| C08 | C09 | C10 | C11 | 1.1° | 0.0° |
| C08 | C09 | C10 | N15 | 178.5° | 178.6° |
| C08 | C09 | N15 | C16 | 0.6° | 1.1° |
| C09 | C08 | C13 | H131 | 180.0° | 180.0° |
| C08 | C09 | C10 | H101 | 179.0° | 179.9° |
| C08 | C09 | N15 | H151 | 179.5° | 179.6° |
| C07 | C16 | N15 | C09 | 0.7° | 0.6° |
| C07 | C16 | N17 | C18 | 0.8° | 0.1° |
| C07 | C16 | N15 | N17 | 179.4° | 180.0° |
| C07 | C16 | N15 | H151 | 179.3° | 180.0° |
| N19 | C18 | N17 | H181 | 180.0° | 179.6° |
| N19 | C18 | N17 | C16 | 0.4° | 0.4° |
| F14 | C11 | C10 | C09 | 179.8° | 180.0° |
| F14 | C11 | C12 | H121 | 0.5° | 0.0° |
| F14 | C11 | C10 | H101 | 0.2° | 0.0° |
| C11 | C10 | C09 | H101 | 180.0° | 180.0° |
| C11 | C10 | C09 | N15 | 179.5° | 178.7° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C10 | C09 | N15 | C16 | 179.2° | 179.8° |
| C10 | C09 | N15 | H151 | 0.8° | 0.8° |
| C09 | N15 | C16 | H151 | 180.0° | 179.4° |
| C09 | N15 | C16 | N17 | 179.9° | 179.4° |
| N15 | C09 | C10 | H101 | 0.5° | 1.3° |
| C18 | N17 | C16 | N15 | 179.9° | 180.0° |
| C16 | N17 | C18 | H181 | 179.6° | 180.0° |
| N17 | C16 | N15 | H151 | 0.1° | 0.0° |
| H131 | C13 | C12 | H121 | 0.4° | 0.0° |
| H031 | C03 | C04 | H041 | 166.3° | 146.0° |
| H031 | C03 | C04 | H042 | 43.9° | 23.6° |
| H222 | C22 | C23 | H232 | 148.3° | 24.9° |
| H222 | C22 | C23 | H231 | 20.6° | 155.7° |
| H221 | C22 | C23 | H232 | 20.9° | 106.2° |
| H221 | C22 | C23 | H231 | 106.7° | 24.5° |
| H232 | C23 | C24 | H241 | 21.0° | 106.2° |
| H232 | C23 | C24 | H242 | 148.1° | 24.8° |
| H231 | C23 | C24 | H241 | 106.7° | 24.6° |
| H231 | C23 | C24 | H242 | 20.4° | 155.6° |






