NRK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C01 | C05 | sing | 1.51Å | 1.54Å | |
| C01 | C03 | sing | 1.53Å | 1.55Å | |
| O19 | C05 | doub | 1.21Å | 1.23Å | |
| C05 | N20 | sing | 1.35Å | 1.35Å | |
| N20 | C21 | sing | 1.40Å | 1.43Å | |
| C21 | N26 | doub | 1.32Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.43Å | Aromatic |
| N26 | C25 | sing | 1.32Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C06 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C24 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | F29 | sing | 1.35Å | 1.36Å | |
| C06 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | O12 | sing | 1.43Å | 1.44Å | |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | F30 | sing | 1.35Å | 1.34Å | |
| O12 | C13 | sing | 1.36Å | 1.39Å | |
| C18 | C13 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| N17 | C16 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | C28 | sing | 1.51Å | 1.52Å | |
| C14 | N15 | doub | 1.32Å | 1.36Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.36Å | Aromatic |
| C16 | C27 | sing | 1.51Å | 1.52Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 60.9° | 60.0° |
| C02 | C01 | C05 | 130.4° | 117.5° |
| C02 | C01 | C03 | 59.8° | 60.0° |
| C02 | C01 | H011 | 113.7° | 117.5° |
| C01 | C02 | H021 | 119.9° | 117.5° |
| C01 | C02 | H022 | 119.8° | 117.5° |
| C02 | C03 | C01 | 59.3° | 60.0° |
| C02 | C03 | C06 | 125.5° | 117.5° |
| C02 | C03 | C04 | 114.1° | 117.5° |
| C03 | C02 | H021 | 119.9° | 117.5° |
| C03 | C02 | H022 | 119.9° | 117.5° |
| C05 | C01 | C03 | 112.5° | 117.5° |
| C01 | C05 | O19 | 110.9° | 120.0° |
| C01 | C05 | N20 | 127.5° | 120.0° |
| C05 | C01 | H011 | 113.4° | 115.5° |
| C01 | C03 | C06 | 114.3° | 117.5° |
| C01 | C03 | C04 | 126.4° | 117.5° |
| C03 | C01 | H011 | 113.4° | 117.5° |
| O19 | C05 | N20 | 121.6° | 120.0° |
| C05 | N20 | C21 | 127.2° | 120.0° |
| C05 | N20 | H201 | 116.4° | 120.0° |
| N20 | C21 | N26 | 114.6° | 119.7° |
| N20 | C21 | C22 | 125.5° | 119.7° |
| C21 | N20 | H201 | 116.4° | 120.0° |
| N26 | C21 | C22 | 118.8° | 120.7° |
| C21 | N26 | C25 | 120.1° | 121.6° |
| C21 | C22 | C23 | 120.5° | 119.1° |
| C21 | C22 | H221 | 119.8° | 120.4° |
| N26 | C25 | C24 | 122.9° | 120.8° |
| N26 | C25 | H251 | 118.6° | 119.6° |
| C25 | C24 | C23 | 118.2° | 119.3° |
| C25 | C24 | F29 | 119.9° | 120.4° |
| C24 | C25 | H251 | 118.5° | 119.6° |
| C22 | C23 | C24 | 119.3° | 118.5° |
| C23 | C22 | H221 | 119.8° | 120.4° |
| C22 | C23 | H231 | 120.4° | 120.8° |
| C06 | C03 | C04 | 110.0° | 115.6° |
| C03 | C06 | C11 | 121.9° | 120.0° |
| C03 | C06 | C07 | 117.8° | 120.0° |
| C03 | C04 | O12 | 111.4° | 109.4° |
| C03 | C04 | H041 | 109.0° | 109.5° |
| C03 | C04 | H042 | 109.0° | 109.5° |
| C23 | C24 | F29 | 121.9° | 120.4° |
| C24 | C23 | H231 | 120.4° | 120.7° |
| C11 | C06 | C07 | 120.2° | 120.0° |
| C06 | C11 | C10 | 120.0° | 120.1° |
| C06 | C11 | H111 | 120.0° | 120.0° |
| C06 | C07 | C08 | 119.5° | 120.0° |
| C06 | C07 | H071 | 120.3° | 120.0° |
| C11 | C10 | C09 | 119.2° | 120.0° |
| C11 | C10 | H101 | 120.4° | 120.0° |
| C10 | C11 | H111 | 120.0° | 120.0° |
| C04 | O12 | C13 | 122.4° | 117.0° |
| O12 | C04 | H041 | 109.0° | 109.4° |
| O12 | C04 | H042 | 109.0° | 109.5° |
| C07 | C08 | C09 | 120.7° | 119.9° |
| C07 | C08 | F30 | 119.3° | 120.0° |
| C08 | C07 | H071 | 120.3° | 120.0° |
| C10 | C09 | C08 | 120.3° | 120.0° |
| C10 | C09 | H091 | 119.9° | 120.0° |
| C09 | C10 | H101 | 120.4° | 120.0° |
| C09 | C08 | F30 | 120.0° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| O12 | C13 | C18 | 127.1° | 120.8° |
| O12 | C13 | C14 | 118.5° | 120.8° |
| C13 | C18 | N17 | 124.5° | 119.0° |
| C18 | C13 | C14 | 114.4° | 118.3° |
| C13 | C18 | H181 | 117.7° | 120.5° |
| C18 | N17 | C16 | 115.8° | 120.9° |
| N17 | C18 | H181 | 117.8° | 120.5° |
| C13 | C14 | C28 | 124.3° | 120.5° |
| C13 | C14 | N15 | 121.7° | 119.0° |
| N17 | C16 | N15 | 124.5° | 121.9° |
| N17 | C16 | C27 | 118.2° | 119.1° |
| C28 | C14 | N15 | 113.9° | 120.5° |
| C14 | C28 | H282 | 109.5° | 109.4° |
| C14 | C28 | H281 | 109.5° | 109.5° |
| C14 | C28 | H283 | 109.5° | 109.4° |
| C14 | N15 | C16 | 119.0° | 120.9° |
| N15 | C16 | C27 | 117.2° | 119.1° |
| C16 | C27 | H271 | 109.5° | 109.5° |
| C16 | C27 | H273 | 109.4° | 109.5° |
| C16 | C27 | H272 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.4° | 115.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 109.7° | 107.5° |
| C01 | C02 | C03 | H022 | 109.7° | 107.5° |
| C02 | C01 | C05 | C03 | 68.7° | 68.6° |
| C02 | C01 | C05 | H011 | 160.9° | 145.7° |
| C02 | C01 | C03 | H011 | 104.8° | 107.5° |
| C02 | C01 | C05 | O19 | 173.4° | 68.6° |
| C02 | C01 | C05 | N20 | 9.7° | 111.3° |
| C01 | C02 | C03 | C06 | 99.5° | 107.5° |
| C01 | C02 | C03 | C04 | 119.3° | 107.5° |
| C01 | C02 | H021 | H022 | 144.2° | 145.7° |
| C02 | C03 | C06 | C04 | 142.5° | 145.7° |
| C02 | C03 | C06 | C11 | 52.4° | 124.1° |
| C02 | C03 | C06 | C07 | 130.8° | 55.7° |
| C02 | C03 | C04 | O12 | 139.5° | 114.2° |
| C03 | C02 | H021 | H022 | 144.3° | 145.6° |
| C02 | C03 | C04 | H041 | 19.2° | 125.9° |
| C02 | C03 | C04 | H042 | 100.2° | 5.8° |
| C05 | C01 | C03 | H011 | 130.4° | 145.0° |
| C01 | C05 | O19 | N20 | 177.1° | 180.0° |
| C01 | C05 | N20 | C21 | 172.4° | 174.5° |
| C05 | C01 | C03 | C06 | 117.1° | 145.0° |
| C05 | C01 | C03 | C04 | 25.9° | 0.0° |
| C05 | C01 | C02 | H021 | 14.7° | 0.0° |
| C05 | C01 | C02 | H022 | 155.3° | 145.0° |
| C01 | C05 | N20 | H201 | 7.6° | 5.4° |
| C03 | C01 | C05 | O19 | 117.9° | 0.0° |
| C03 | C01 | C05 | N20 | 59.0° | 180.0° |
| C01 | C03 | C06 | C04 | 148.9° | 145.7° |
| C01 | C03 | C06 | C11 | 120.9° | 55.5° |
| C01 | C03 | C06 | C07 | 62.2° | 124.3° |
| C01 | C03 | C04 | O12 | 70.9° | 177.2° |
| C01 | C03 | C04 | H041 | 49.4° | 57.3° |
| C01 | C03 | C04 | H042 | 168.8° | 62.7° |
| O19 | C05 | N20 | C21 | 4.2° | 5.5° |
| O19 | C05 | C01 | H011 | 12.5° | 145.7° |
| O19 | C05 | N20 | H201 | 175.8° | 174.5° |
| C05 | N20 | C21 | H201 | 180.0° | 179.9° |
| C05 | N20 | C21 | N26 | 170.8° | 5.8° |
| C05 | N20 | C21 | C22 | 21.0° | 174.5° |
| N20 | C05 | C01 | H011 | 170.6° | 34.3° |
| N20 | C21 | N26 | C22 | 169.0° | 179.7° |
| N20 | C21 | N26 | C25 | 174.7° | 179.8° |
| N20 | C21 | C22 | C23 | 171.5° | 180.0° |
| N20 | C21 | C22 | H221 | 8.5° | 0.1° |
| C21 | N26 | C25 | C24 | 3.8° | 0.5° |
| N26 | C21 | C22 | C23 | 3.8° | 0.3° |
| N26 | C21 | N20 | H201 | 9.2° | 174.2° |
| N26 | C21 | C22 | H221 | 176.2° | 179.8° |
| C21 | N26 | C25 | H251 | 176.2° | 179.7° |
| C22 | C21 | N26 | C25 | 5.7° | 0.5° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | N20 | H201 | 159.0° | 5.5° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| N26 | C25 | C24 | H251 | 180.0° | 179.8° |
| N26 | C25 | C24 | C23 | 0.2° | 0.2° |
| N26 | C25 | C24 | F29 | 179.9° | 179.8° |
| C25 | C24 | C23 | C22 | 2.1° | 0.0° |
| C25 | C24 | C23 | F29 | 179.9° | 180.0° |
| C25 | C24 | C23 | H231 | 177.9° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | F29 | 178.0° | 180.0° |
| C03 | C06 | C11 | C07 | 176.7° | 179.8° |
| C03 | C06 | C11 | C10 | 178.1° | 179.7° |
| C06 | C03 | C04 | O12 | 73.4° | 31.5° |
| C03 | C06 | C07 | C08 | 179.5° | 180.0° |
| C06 | C03 | C01 | H011 | 13.4° | 0.0° |
| C06 | C03 | C02 | H021 | 150.8° | 145.0° |
| C06 | C03 | C02 | H022 | 10.2° | 0.1° |
| C06 | C03 | C04 | H041 | 166.3° | 88.4° |
| C06 | C03 | C04 | H042 | 46.9° | 151.6° |
| C03 | C06 | C07 | H071 | 0.4° | 0.0° |
| C03 | C06 | C11 | H111 | 1.9° | 0.1° |
| C04 | C03 | C06 | C11 | 90.1° | 90.2° |
| C04 | C03 | C06 | C07 | 86.7° | 90.0° |
| C03 | C04 | O12 | H041 | 120.3° | 120.0° |
| C03 | C04 | O12 | H042 | 120.3° | 120.1° |
| C03 | C04 | O12 | C13 | 140.9° | 180.0° |
| C04 | C03 | C01 | H011 | 156.3° | 145.0° |
| C04 | C03 | C02 | H021 | 9.6° | 0.1° |
| C04 | C03 | C02 | H022 | 131.0° | 145.0° |
| C03 | C04 | H041 | H042 | 119.1° | 120.1° |
| C24 | C23 | C22 | H221 | 179.8° | 179.9° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| F29 | C24 | C23 | H231 | 2.0° | 0.0° |
| F29 | C24 | C25 | H251 | 0.1° | 0.0° |
| C06 | C11 | C10 | H111 | 180.0° | 179.8° |
| C11 | C06 | C07 | C08 | 2.7° | 0.3° |
| C06 | C11 | C10 | C09 | 1.1° | 0.5° |
| C11 | C06 | C07 | H071 | 177.3° | 179.8° |
| C06 | C11 | C10 | H101 | 178.9° | 179.7° |
| C07 | C06 | C11 | C10 | 1.3° | 0.5° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 1.6° | 0.0° |
| C06 | C07 | C08 | F30 | 179.5° | 179.9° |
| C07 | C06 | C11 | H111 | 178.7° | 179.7° |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 2.2° | 0.2° |
| C11 | C10 | C09 | H091 | 177.8° | 179.8° |
| C04 | O12 | C13 | C18 | 6.3° | 0.3° |
| C04 | O12 | C13 | C14 | 171.4° | 179.9° |
| O12 | C04 | H041 | H042 | 119.1° | 120.0° |
| C07 | C08 | C09 | C10 | 0.9° | 0.0° |
| C07 | C08 | C09 | F30 | 178.0° | 180.0° |
| C07 | C08 | C09 | H091 | 179.1° | 180.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | F30 | 177.1° | 180.0° |
| C09 | C10 | C11 | H111 | 178.9° | 179.7° |
| C09 | C08 | C07 | H071 | 178.4° | 180.0° |
| C08 | C09 | C10 | H101 | 177.7° | 180.0° |
| F30 | C08 | C07 | H071 | 0.5° | 0.0° |
| F30 | C08 | C09 | H091 | 3.0° | 0.0° |
| O12 | C13 | C18 | C14 | 177.8° | 179.8° |
| O12 | C13 | C18 | N17 | 178.8° | 179.8° |
| O12 | C13 | C14 | C28 | 3.2° | 0.0° |
| O12 | C13 | C14 | N15 | 179.5° | 180.0° |
| C13 | O12 | C04 | H041 | 20.6° | 60.0° |
| C13 | O12 | C04 | H042 | 98.8° | 60.0° |
| O12 | C13 | C18 | H181 | 1.2° | 0.0° |
| C13 | C18 | N17 | H181 | 180.0° | 179.8° |
| C13 | C18 | N17 | C16 | 0.1° | 0.5° |
| C18 | C13 | C14 | C28 | 178.9° | 179.8° |
| C18 | C13 | C14 | N15 | 2.5° | 0.2° |
| N17 | C18 | C13 | C14 | 1.0° | 0.5° |
| C18 | N17 | C16 | N15 | 0.5° | 0.3° |
| C18 | N17 | C16 | C27 | 179.5° | 179.8° |
| C13 | C14 | C28 | N15 | 176.6° | 180.0° |
| C13 | C14 | N15 | C16 | 3.0° | 0.0° |
| C14 | C13 | C18 | H181 | 179.0° | 179.7° |
| C13 | C14 | C28 | H282 | 176.6° | 89.9° |
| C13 | C14 | C28 | H281 | 56.6° | 150.0° |
| C13 | C14 | C28 | H283 | 63.3° | 30.0° |
| N17 | C16 | N15 | C14 | 2.0° | 0.0° |
| N17 | C16 | N15 | C27 | 179.0° | 179.9° |
| C16 | N17 | C18 | H181 | 179.9° | 179.7° |
| N17 | C16 | C27 | H271 | 0.0° | 90.0° |
| N17 | C16 | C27 | H273 | 120.0° | 30.0° |
| N17 | C16 | C27 | H272 | 120.0° | 150.0° |
| C28 | C14 | N15 | C16 | 179.7° | 180.0° |
| C14 | C28 | H282 | H281 | 120.0° | 120.0° |
| C14 | C28 | H282 | H283 | 120.0° | 119.9° |
| C14 | C28 | H281 | H283 | 120.0° | 120.0° |
| C14 | N15 | C16 | C27 | 179.1° | 179.9° |
| N15 | C14 | C28 | H282 | 0.0° | 90.0° |
| N15 | C14 | C28 | H281 | 120.0° | 30.0° |
| N15 | C14 | C28 | H283 | 120.0° | 150.0° |
| N15 | C16 | C27 | H271 | 179.1° | 90.0° |
| N15 | C16 | C27 | H273 | 59.0° | 150.0° |
| N15 | C16 | C27 | H272 | 60.9° | 29.9° |
| C16 | C27 | H271 | H273 | 120.0° | 120.0° |
| C16 | C27 | H271 | H272 | 120.0° | 120.0° |
| C16 | C27 | H273 | H272 | 120.0° | 120.1° |
| H011 | C01 | C02 | H021 | 146.1° | 145.0° |
| H011 | C01 | C02 | H022 | 5.6° | 0.0° |
| H091 | C09 | C10 | H101 | 2.3° | 0.0° |
| H101 | C10 | C11 | H111 | 1.1° | 0.1° |
| H221 | C22 | C23 | H231 | 0.2° | 0.0° |
| H271 | C27 | H273 | H272 | 120.0° | 120.0° |
| H282 | C28 | H281 | H283 | 120.0° | 120.0° |
