FR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.44Å | Aromatic |
| C1 | C5 | doub | 1.36Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| N2 | C3 | sing | 1.36Å | 1.32Å | Aromatic |
| N2 | C13 | sing | 1.46Å | 1.48Å | |
| C3 | N4 | doub | 1.30Å | 1.28Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| N4 | C5 | sing | 1.36Å | 1.44Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | O9 | doub | 1.22Å | 1.24Å | |
| C8 | N10 | sing | 1.35Å | 1.32Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| N10 | H102 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | O15 | sing | 1.43Å | 1.47Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| O15 | HO | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C22 | sing | 1.51Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C22 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C5 | 104.8° | 106.9° |
| N2 | C1 | H1 | 130.7° | 126.5° |
| C1 | N2 | C3 | 108.0° | 107.7° |
| C1 | N2 | C13 | 125.7° | 126.1° |
| C5 | C1 | H1 | 124.5° | 126.6° |
| C1 | C5 | N4 | 108.3° | 107.5° |
| C1 | C5 | C8 | 124.9° | 126.2° |
| C3 | N2 | C13 | 125.7° | 126.1° |
| N2 | C3 | N4 | 111.7° | 109.0° |
| N2 | C3 | H3 | 125.2° | 125.5° |
| N2 | C13 | C14 | 110.3° | 109.5° |
| N2 | C13 | C18 | 116.3° | 109.4° |
| N2 | C13 | H13 | 104.1° | 109.5° |
| N4 | C3 | H3 | 123.1° | 125.5° |
| C3 | N4 | C5 | 107.1° | 108.9° |
| N4 | C5 | C8 | 126.7° | 126.2° |
| C5 | C8 | O9 | 122.1° | 120.0° |
| C5 | C8 | N10 | 118.9° | 120.0° |
| O9 | C8 | N10 | 118.9° | 120.0° |
| C8 | N10 | H101 | 118.9° | 120.0° |
| C8 | N10 | H102 | 118.8° | 120.1° |
| H101 | N10 | H102 | 122.1° | 120.0° |
| C14 | C13 | C18 | 109.7° | 109.5° |
| C14 | C13 | H13 | 111.4° | 109.4° |
| C13 | C14 | O15 | 98.8° | 109.4° |
| C13 | C14 | H141 | 116.3° | 109.5° |
| C13 | C14 | H142 | 116.3° | 109.5° |
| C18 | C13 | H13 | 104.8° | 109.5° |
| C13 | C18 | C19 | 111.6° | 109.4° |
| C13 | C18 | H181 | 111.4° | 109.5° |
| C13 | C18 | H182 | 111.4° | 109.5° |
| O15 | C14 | H141 | 116.3° | 109.5° |
| O15 | C14 | H142 | 116.3° | 109.4° |
| C14 | O15 | HO | 98.8° | 106.7° |
| H141 | C14 | H142 | 94.1° | 109.5° |
| C19 | C18 | H181 | 111.5° | 109.4° |
| C19 | C18 | H182 | 111.4° | 109.5° |
| C18 | C19 | C22 | 113.7° | 109.5° |
| C18 | C19 | H191 | 110.6° | 109.5° |
| C18 | C19 | H192 | 110.7° | 109.5° |
| H181 | C18 | H182 | 98.9° | 109.5° |
| C22 | C19 | H191 | 110.7° | 109.4° |
| C22 | C19 | H192 | 110.7° | 109.5° |
| C19 | C22 | C25 | 118.6° | 120.0° |
| C19 | C22 | C29 | 123.2° | 120.0° |
| H191 | C19 | H192 | 99.6° | 109.4° |
| C25 | C22 | C29 | 118.2° | 119.9° |
| C22 | C25 | C26 | 121.4° | 120.0° |
| C22 | C25 | H25 | 119.1° | 120.0° |
| C22 | C29 | C28 | 123.0° | 120.1° |
| C22 | C29 | H29 | 117.4° | 120.0° |
| C26 | C25 | H25 | 119.5° | 120.0° |
| C25 | C26 | C27 | 119.6° | 120.0° |
| C25 | C26 | H26 | 119.7° | 120.0° |
| C27 | C26 | H26 | 120.7° | 120.0° |
| C26 | C27 | C28 | 120.6° | 120.0° |
| C26 | C27 | H27 | 119.6° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | C29 | 117.0° | 120.0° |
| C27 | C28 | H28 | 121.3° | 120.0° |
| C29 | C28 | H28 | 121.7° | 120.1° |
| C28 | C29 | H29 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C5 | H1 | 180.0° | 180.0° |
| C1 | N2 | C3 | C13 | 172.0° | 180.0° |
| C1 | N2 | C3 | N4 | 0.9° | 0.2° |
| C1 | N2 | C3 | H3 | 179.1° | 180.0° |
| N2 | C1 | C5 | N4 | 1.1° | 0.2° |
| N2 | C1 | C5 | C8 | 177.3° | 180.0° |
| C1 | N2 | C13 | C14 | 87.6° | 119.9° |
| C1 | N2 | C13 | C18 | 38.1° | 120.0° |
| C1 | N2 | C13 | H13 | 152.8° | 0.0° |
| C5 | C1 | N2 | C3 | 1.3° | 0.0° |
| C5 | C1 | N2 | C13 | 170.8° | 180.0° |
| C1 | C5 | N4 | C3 | 0.6° | 0.3° |
| C1 | C5 | N4 | C8 | 176.1° | 179.8° |
| C1 | C5 | C8 | O9 | 5.2° | 0.1° |
| C1 | C5 | C8 | N10 | 179.9° | 180.0° |
| H1 | C1 | N2 | C3 | 178.8° | 180.0° |
| H1 | C1 | N2 | C13 | 9.2° | 0.0° |
| H1 | C1 | C5 | N4 | 178.9° | 179.8° |
| H1 | C1 | C5 | C8 | 2.7° | 0.0° |
| N2 | C3 | N4 | H3 | 180.0° | 179.8° |
| N2 | C3 | N4 | C5 | 0.2° | 0.3° |
| C3 | N2 | C13 | C14 | 101.8° | 60.0° |
| C3 | N2 | C13 | C18 | 132.6° | 60.0° |
| C3 | N2 | C13 | H13 | 17.9° | 180.0° |
| C13 | N2 | C3 | N4 | 171.1° | 179.8° |
| C13 | N2 | C3 | H3 | 8.9° | 0.0° |
| N2 | C13 | C14 | C18 | 129.3° | 120.0° |
| N2 | C13 | C14 | H13 | 115.1° | 120.0° |
| N2 | C13 | C18 | H13 | 114.3° | 120.0° |
| N2 | C13 | C14 | O15 | 49.2° | 60.0° |
| N2 | C13 | C14 | H141 | 174.4° | 180.0° |
| N2 | C13 | C14 | H142 | 76.1° | 60.0° |
| N2 | C13 | C18 | C19 | 52.1° | 180.0° |
| N2 | C13 | C18 | H181 | 73.2° | 60.0° |
| N2 | C13 | C18 | H182 | 177.3° | 60.0° |
| C3 | N4 | C5 | C8 | 176.7° | 179.9° |
| H3 | C3 | N4 | C5 | 179.8° | 179.9° |
| N4 | C5 | C8 | O9 | 179.3° | 179.8° |
| N4 | C5 | C8 | N10 | 4.4° | 0.3° |
| C5 | C8 | O9 | N10 | 174.9° | 179.9° |
| C5 | C8 | N10 | H101 | 180.0° | 180.0° |
| C5 | C8 | N10 | H102 | 5.0° | 0.2° |
| O9 | C8 | N10 | H101 | 5.0° | 0.1° |
| O9 | C8 | N10 | H102 | 180.0° | 179.7° |
| C8 | N10 | H101 | H102 | 174.8° | 179.7° |
| C14 | C13 | C18 | H13 | 119.7° | 120.0° |
| C13 | C14 | O15 | H141 | 125.3° | 120.0° |
| C13 | C14 | O15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 122.1° | 120.0° |
| C13 | C14 | O15 | HO | 180.0° | 180.0° |
| C14 | C13 | C18 | C19 | 178.0° | 60.0° |
| C14 | C13 | C18 | H181 | 52.7° | 60.0° |
| C14 | C13 | C18 | H182 | 56.7° | 180.0° |
| C18 | C13 | C14 | O15 | 178.5° | 60.0° |
| C18 | C13 | C14 | H141 | 56.3° | 60.0° |
| C18 | C13 | C14 | H142 | 53.2° | 179.9° |
| C13 | C18 | C19 | H181 | 125.3° | 120.0° |
| C13 | C18 | C19 | H182 | 125.3° | 120.0° |
| C13 | C18 | H181 | H182 | 117.3° | 120.0° |
| C13 | C18 | C19 | C22 | 171.9° | 180.0° |
| C13 | C18 | C19 | H191 | 46.7° | 60.0° |
| C13 | C18 | C19 | H192 | 62.8° | 60.0° |
| H13 | C13 | C14 | O15 | 65.9° | 180.0° |
| H13 | C13 | C14 | H141 | 59.3° | 60.0° |
| H13 | C13 | C14 | H142 | 168.8° | 60.1° |
| H13 | C13 | C18 | C19 | 62.2° | 60.0° |
| H13 | C13 | C18 | H181 | 172.5° | 180.0° |
| H13 | C13 | C18 | H182 | 63.0° | 60.0° |
| O15 | C14 | H141 | H142 | 122.1° | 120.0° |
| H141 | C14 | O15 | HO | 54.7° | 60.0° |
| H142 | C14 | O15 | HO | 54.7° | 60.0° |
| C19 | C18 | H181 | H182 | 117.3° | 120.0° |
| C18 | C19 | C22 | H191 | 125.2° | 120.0° |
| C18 | C19 | C22 | H192 | 125.3° | 120.1° |
| C18 | C19 | H191 | H192 | 116.5° | 120.0° |
| C18 | C19 | C22 | C25 | 178.0° | 89.9° |
| C18 | C19 | C22 | C29 | 1.0° | 90.3° |
| H181 | C18 | C19 | C22 | 62.8° | 60.0° |
| H181 | C18 | C19 | H191 | 172.0° | 180.0° |
| H181 | C18 | C19 | H192 | 62.5° | 60.0° |
| H182 | C18 | C19 | C22 | 46.7° | 60.0° |
| H182 | C18 | C19 | H191 | 78.6° | 60.0° |
| H182 | C18 | C19 | H192 | 171.9° | 179.9° |
| C22 | C19 | H191 | H192 | 116.5° | 120.0° |
| C19 | C22 | C25 | C29 | 179.0° | 179.8° |
| C19 | C22 | C25 | C26 | 179.7° | 179.9° |
| C19 | C22 | C25 | H25 | 0.3° | 0.0° |
| C19 | C22 | C29 | C28 | 177.4° | 179.8° |
| C19 | C22 | C29 | H29 | 2.6° | 0.2° |
| H191 | C19 | C22 | C25 | 56.8° | 30.1° |
| H191 | C19 | C22 | C29 | 124.3° | 149.7° |
| H192 | C19 | C22 | C25 | 52.7° | 150.0° |
| H192 | C19 | C22 | C29 | 126.2° | 29.8° |
| C22 | C25 | C26 | H25 | 180.0° | 179.9° |
| C22 | C25 | C26 | C27 | 3.0° | 0.1° |
| C22 | C25 | C26 | H26 | 177.0° | 180.0° |
| C25 | C22 | C29 | C28 | 1.6° | 0.5° |
| C25 | C22 | C29 | H29 | 178.4° | 180.0° |
| C29 | C22 | C25 | C26 | 1.3° | 0.3° |
| C29 | C22 | C25 | H25 | 178.7° | 179.8° |
| C22 | C29 | C28 | C27 | 2.6° | 0.4° |
| C22 | C29 | C28 | H29 | 180.0° | 179.5° |
| C22 | C29 | C28 | H28 | 177.5° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 1.9° | 0.0° |
| C25 | C26 | C27 | H27 | 178.0° | 179.9° |
| H25 | C25 | C26 | C27 | 177.0° | 180.0° |
| H25 | C25 | C26 | H26 | 3.0° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.7° | 0.2° |
| C26 | C27 | C28 | H28 | 179.3° | 179.9° |
| H26 | C26 | C27 | C28 | 178.1° | 180.0° |
| H26 | C26 | C27 | H27 | 2.0° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | H29 | 177.4° | 179.9° |
| H27 | C27 | C28 | C29 | 179.3° | 179.9° |
| H27 | C27 | C28 | H28 | 0.7° | 0.0° |
| H28 | C28 | C29 | H29 | 2.5° | 0.2° |
