RL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C03 | sing | 1.36Å | 1.38Å | |
| N14 | N15 | sing | 1.29Å | 1.34Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.36Å | Aromatic |
| N15 | C11 | doub | 1.32Å | 1.32Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | N12 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.37Å | 1.41Å | Aromatic |
| C11 | C04 | sing | 1.48Å | 1.48Å | |
| C19 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| N12 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.39Å | Aromatic |
| C17 | BR1 | sing | 1.89Å | 1.91Å | |
| C01 | O10 | sing | 1.36Å | 1.37Å | |
| C01 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.49Å | |
| C26 | C25 | sing | 1.53Å | 1.48Å | |
| C26 | N21 | sing | 1.47Å | 1.42Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C07 | N21 | sing | 1.35Å | 1.41Å | |
| C07 | O08 | doub | 1.22Å | 1.23Å | |
| N21 | C22 | sing | 1.47Å | 1.42Å | |
| C24 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.46Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.44Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| O09 | H3 | sing | 0.97Å | 0.95Å | |
| O10 | H4 | sing | 0.97Å | 0.95Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C03 | C02 | 119.7° | 119.9° |
| O09 | C03 | C04 | 120.6° | 120.0° |
| C03 | O09 | H3 | 109.5° | 114.0° |
| N15 | N14 | C13 | 108.5° | 109.7° |
| N14 | N15 | C11 | 109.9° | 110.2° |
| N14 | C13 | C19 | 131.0° | 133.3° |
| N14 | C13 | N12 | 107.6° | 107.0° |
| N15 | C11 | N12 | 107.3° | 107.2° |
| N15 | C11 | C04 | 125.1° | 126.4° |
| C02 | C03 | C04 | 119.7° | 120.1° |
| C03 | C02 | C01 | 119.3° | 120.2° |
| C03 | C02 | H1 | 120.4° | 119.9° |
| C03 | C04 | C11 | 123.4° | 120.0° |
| C03 | C04 | C05 | 120.6° | 119.9° |
| C19 | C13 | N12 | 121.4° | 119.6° |
| C13 | C19 | C18 | 119.5° | 119.2° |
| C13 | C19 | H7 | 120.3° | 120.4° |
| C13 | N12 | C11 | 106.5° | 105.8° |
| C13 | N12 | C16 | 121.2° | 120.5° |
| N12 | C11 | C04 | 126.2° | 126.4° |
| C11 | N12 | C16 | 132.3° | 133.7° |
| C11 | C04 | C05 | 115.7° | 120.1° |
| C19 | C18 | C17 | 116.7° | 119.8° |
| C19 | C18 | H6 | 121.7° | 120.1° |
| C18 | C19 | H7 | 120.2° | 120.4° |
| C02 | C01 | O10 | 121.2° | 119.9° |
| C02 | C01 | C06 | 120.7° | 120.1° |
| C01 | C02 | H1 | 120.4° | 119.9° |
| N12 | C16 | C17 | 118.2° | 120.5° |
| N12 | C16 | H5 | 120.9° | 119.7° |
| C04 | C05 | C06 | 119.4° | 119.8° |
| C04 | C05 | H2 | 120.3° | 120.1° |
| C18 | C17 | C16 | 123.1° | 120.3° |
| C18 | C17 | BR1 | 119.0° | 119.8° |
| C17 | C18 | H6 | 121.7° | 120.1° |
| C16 | C17 | BR1 | 117.9° | 119.8° |
| C17 | C16 | H5 | 120.9° | 119.8° |
| O10 | C01 | C06 | 118.1° | 120.0° |
| C01 | O10 | H4 | 109.5° | 114.0° |
| C01 | C06 | C05 | 120.3° | 119.9° |
| C01 | C06 | C07 | 120.1° | 120.1° |
| C05 | C06 | C07 | 119.6° | 120.0° |
| C06 | C05 | H2 | 120.3° | 120.1° |
| C06 | C07 | N21 | 116.6° | 120.0° |
| C06 | C07 | O08 | 123.4° | 120.0° |
| C25 | C26 | N21 | 114.1° | 107.6° |
| C26 | C25 | C24 | 113.2° | 110.8° |
| C26 | C25 | H10 | 108.5° | 109.4° |
| C26 | C25 | H11 | 108.5° | 109.0° |
| C25 | C26 | H12 | 108.3° | 109.8° |
| C25 | C26 | H13 | 108.3° | 109.7° |
| C26 | N21 | C07 | 119.1° | 121.3° |
| C26 | N21 | C22 | 120.3° | 117.3° |
| N21 | C26 | H12 | 108.3° | 110.1° |
| N21 | C26 | H13 | 108.3° | 109.8° |
| C25 | C24 | C30 | 118.0° | 117.6° |
| C25 | C24 | C23 | 121.4° | 122.9° |
| C24 | C25 | H10 | 108.5° | 109.2° |
| C24 | C25 | H11 | 108.5° | 109.2° |
| N21 | C07 | O08 | 120.0° | 120.0° |
| C07 | N21 | C22 | 119.9° | 121.4° |
| N21 | C22 | C23 | 108.4° | 109.7° |
| N21 | C22 | H8 | 109.8° | 109.4° |
| N21 | C22 | H9 | 109.8° | 109.4° |
| C30 | C24 | C23 | 120.6° | 119.5° |
| C24 | C30 | C29 | 119.1° | 120.6° |
| C24 | C30 | H17 | 120.5° | 119.6° |
| C24 | C23 | C22 | 120.7° | 122.3° |
| C24 | C23 | C27 | 120.0° | 119.9° |
| C30 | C29 | C28 | 120.5° | 119.8° |
| C30 | C29 | H16 | 119.8° | 120.1° |
| C29 | C30 | H17 | 120.4° | 119.8° |
| C22 | C23 | C27 | 119.4° | 117.8° |
| C23 | C22 | H8 | 109.8° | 109.4° |
| C23 | C22 | H9 | 109.7° | 109.5° |
| C23 | C27 | C28 | 119.3° | 120.5° |
| C23 | C27 | H14 | 120.4° | 119.8° |
| C29 | C28 | C27 | 120.5° | 119.7° |
| C29 | C28 | H15 | 119.7° | 120.2° |
| C28 | C29 | H16 | 119.7° | 120.0° |
| C28 | C27 | H14 | 120.4° | 119.7° |
| C27 | C28 | H15 | 119.7° | 120.1° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H10 | C25 | H11 | 109.5° | 109.2° |
| H12 | C26 | H13 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C03 | C02 | C04 | 179.0° | 180.0° |
| O09 | C03 | C04 | C11 | 5.1° | 0.0° |
| O09 | C03 | C02 | C01 | 179.6° | 179.9° |
| O09 | C03 | C04 | C05 | 180.0° | 180.0° |
| O09 | C03 | C02 | H1 | 0.4° | 0.0° |
| N15 | N14 | C13 | C19 | 179.9° | 179.7° |
| N15 | N14 | C13 | N12 | 0.1° | 0.2° |
| N14 | N15 | C11 | N12 | 5.2° | 0.5° |
| N14 | N15 | C11 | C04 | 172.5° | 179.9° |
| C13 | N14 | N15 | C11 | 3.3° | 0.4° |
| N14 | C13 | C19 | N12 | 179.9° | 180.0° |
| N14 | C13 | N12 | C11 | 3.2° | 0.0° |
| N14 | C13 | C19 | C18 | 179.4° | 180.0° |
| N14 | C13 | N12 | C16 | 178.6° | 180.0° |
| N14 | C13 | C19 | H7 | 0.6° | 0.0° |
| N15 | C11 | C04 | C03 | 81.7° | 46.0° |
| N15 | C11 | N12 | C13 | 5.2° | 0.3° |
| N15 | C11 | N12 | C04 | 167.1° | 179.7° |
| N15 | C11 | N12 | C16 | 177.0° | 179.7° |
| N15 | C11 | C04 | C05 | 93.4° | 134.0° |
| C02 | C03 | C04 | C11 | 175.8° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 1.0° | 0.0° |
| C03 | C02 | C01 | O10 | 179.6° | 180.0° |
| C03 | C02 | C01 | C06 | 0.5° | 0.3° |
| C02 | C03 | O09 | H3 | 180.0° | 85.0° |
| C03 | C04 | C11 | N12 | 113.4° | 134.4° |
| C03 | C04 | C11 | C05 | 175.1° | 180.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C03 | C04 | C05 | C06 | 1.2° | 0.2° |
| C04 | C03 | C02 | H1 | 179.4° | 180.0° |
| C03 | C04 | C05 | H2 | 178.8° | 180.0° |
| C04 | C03 | O09 | H3 | 1.0° | 95.0° |
| C19 | C13 | N12 | C11 | 176.8° | 180.0° |
| C13 | C19 | C18 | H7 | 180.0° | 180.0° |
| C19 | C13 | N12 | C16 | 1.3° | 0.0° |
| C13 | C19 | C18 | C17 | 0.3° | 0.1° |
| C13 | C19 | C18 | H6 | 179.7° | 179.9° |
| C13 | N12 | C11 | C16 | 177.8° | 180.0° |
| C13 | N12 | C11 | C04 | 172.3° | 180.0° |
| N12 | C13 | C19 | C18 | 0.6° | 0.1° |
| C13 | N12 | C16 | C17 | 1.8° | 0.0° |
| C13 | N12 | C16 | H5 | 178.2° | 180.0° |
| N12 | C13 | C19 | H7 | 179.4° | 180.0° |
| N12 | C11 | C04 | C05 | 71.5° | 45.6° |
| C11 | N12 | C16 | C17 | 175.8° | 180.0° |
| C11 | N12 | C16 | H5 | 4.2° | 0.0° |
| C04 | C11 | N12 | C16 | 9.9° | 0.1° |
| C11 | C04 | C05 | C06 | 176.4° | 179.7° |
| C11 | C04 | C05 | H2 | 3.6° | 0.0° |
| C19 | C18 | C17 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.9° | 0.0° |
| C19 | C18 | C17 | BR1 | 177.8° | 180.0° |
| C02 | C01 | O10 | C06 | 179.2° | 179.7° |
| C02 | C01 | C06 | C05 | 0.7° | 0.6° |
| C02 | C01 | C06 | C07 | 179.5° | 179.7° |
| C02 | C01 | O10 | H4 | 162.2° | 89.7° |
| N12 | C16 | C17 | C18 | 1.6° | 0.0° |
| N12 | C16 | C17 | H5 | 180.0° | 180.0° |
| N12 | C16 | C17 | BR1 | 178.5° | 180.0° |
| C04 | C05 | C06 | C01 | 1.0° | 0.5° |
| C04 | C05 | C06 | H2 | 180.0° | 179.7° |
| C04 | C05 | C06 | C07 | 179.8° | 179.8° |
| C18 | C17 | C16 | BR1 | 176.9° | 180.0° |
| C18 | C17 | C16 | H5 | 178.4° | 180.0° |
| C17 | C18 | C19 | H7 | 179.7° | 180.0° |
| C16 | C17 | C18 | H6 | 179.1° | 180.0° |
| BR1 | C17 | C16 | H5 | 1.5° | 0.0° |
| BR1 | C17 | C18 | H6 | 2.2° | 0.0° |
| O10 | C01 | C06 | C05 | 179.9° | 179.8° |
| O10 | C01 | C06 | C07 | 1.3° | 0.1° |
| O10 | C01 | C02 | H1 | 0.4° | 0.1° |
| C01 | C06 | C05 | C07 | 178.8° | 179.7° |
| C01 | C06 | C07 | N21 | 117.5° | 134.3° |
| C01 | C06 | C07 | O08 | 62.1° | 45.7° |
| C06 | C01 | C02 | H1 | 179.5° | 179.8° |
| C01 | C06 | C05 | H2 | 179.0° | 179.7° |
| C06 | C01 | O10 | H4 | 16.9° | 89.9° |
| C05 | C06 | C07 | N21 | 61.3° | 45.4° |
| C05 | C06 | C07 | O08 | 119.1° | 134.6° |
| C06 | C07 | N21 | C26 | 12.8° | 174.6° |
| C06 | C07 | N21 | O08 | 179.6° | 180.0° |
| C06 | C07 | N21 | C22 | 176.6° | 5.0° |
| C07 | C06 | C05 | H2 | 0.2° | 0.0° |
| C25 | C26 | N21 | H12 | 120.7° | 119.6° |
| C25 | C26 | N21 | H13 | 120.7° | 119.4° |
| C26 | C25 | C24 | H10 | 120.6° | 120.5° |
| C26 | C25 | C24 | H11 | 120.5° | 120.1° |
| C25 | C26 | N21 | C07 | 132.3° | 115.8° |
| C25 | C26 | N21 | C22 | 57.1° | 64.5° |
| C26 | C25 | C24 | C30 | 175.5° | 160.4° |
| C26 | C25 | C24 | C23 | 4.5° | 20.3° |
| C26 | C25 | H10 | H11 | 118.3° | 119.3° |
| C25 | C26 | H12 | H13 | 117.9° | 120.8° |
| N21 | C26 | C25 | C24 | 29.0° | 47.7° |
| C26 | N21 | C07 | C22 | 170.7° | 179.7° |
| C26 | N21 | C07 | O08 | 166.8° | 5.4° |
| C26 | N21 | C22 | C23 | 50.3° | 44.7° |
| C26 | N21 | C22 | H8 | 170.1° | 164.8° |
| C26 | N21 | C22 | H9 | 69.5° | 75.4° |
| N21 | C26 | C25 | H10 | 149.6° | 72.7° |
| N21 | C26 | C25 | H11 | 91.5° | 167.9° |
| N21 | C26 | H12 | H13 | 117.9° | 121.0° |
| C25 | C24 | C30 | C23 | 180.0° | 179.3° |
| C25 | C24 | C30 | C29 | 179.9° | 178.8° |
| C25 | C24 | C23 | C22 | 0.9° | 1.5° |
| C25 | C24 | C23 | C27 | 180.0° | 178.6° |
| C24 | C25 | H10 | H11 | 118.3° | 119.3° |
| C24 | C25 | C26 | H12 | 149.7° | 72.1° |
| C24 | C25 | C26 | H13 | 91.6° | 167.1° |
| C25 | C24 | C30 | H17 | 0.2° | 1.2° |
| C07 | N21 | C22 | C23 | 139.2° | 135.6° |
| C07 | N21 | C22 | H8 | 19.4° | 15.5° |
| C07 | N21 | C22 | H9 | 101.0° | 104.3° |
| C07 | N21 | C26 | H12 | 11.6° | 124.6° |
| C07 | N21 | C26 | H13 | 107.0° | 3.6° |
| O08 | C07 | N21 | C22 | 3.9° | 174.9° |
| N21 | C22 | C23 | C24 | 21.0° | 11.6° |
| N21 | C22 | C23 | H8 | 119.9° | 120.0° |
| N21 | C22 | C23 | H9 | 119.8° | 120.1° |
| N21 | C22 | C23 | C27 | 160.0° | 168.5° |
| N21 | C22 | H8 | H9 | 120.5° | 119.9° |
| C22 | N21 | C26 | H12 | 177.7° | 55.1° |
| C22 | N21 | C26 | H13 | 63.6° | 176.1° |
| C24 | C30 | C29 | H17 | 180.0° | 179.9° |
| C30 | C24 | C23 | C22 | 179.1° | 179.2° |
| C30 | C24 | C23 | C27 | 0.0° | 0.7° |
| C24 | C30 | C29 | C28 | 0.1° | 0.0° |
| C30 | C24 | C25 | H10 | 54.9° | 79.1° |
| C30 | C24 | C25 | H11 | 64.0° | 40.2° |
| C24 | C30 | C29 | H16 | 179.9° | 180.0° |
| C23 | C24 | C30 | C29 | 0.1° | 0.5° |
| C24 | C23 | C22 | C27 | 179.1° | 179.9° |
| C24 | C23 | C27 | C28 | 0.2° | 0.3° |
| C24 | C23 | C22 | H8 | 140.8° | 131.6° |
| C24 | C23 | C22 | H9 | 98.9° | 108.5° |
| C23 | C24 | C25 | H10 | 125.1° | 100.2° |
| C23 | C24 | C25 | H11 | 116.1° | 140.5° |
| C24 | C23 | C27 | H14 | 179.8° | 179.5° |
| C23 | C24 | C30 | H17 | 179.9° | 179.4° |
| C30 | C29 | C28 | H16 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.3° |
| C30 | C29 | C28 | H15 | 179.9° | 179.7° |
| C22 | C23 | C27 | C28 | 178.9° | 179.5° |
| C23 | C22 | H8 | H9 | 120.5° | 119.9° |
| C22 | C23 | C27 | H14 | 1.1° | 0.6° |
| C23 | C27 | C28 | C29 | 0.2° | 0.1° |
| C23 | C27 | C28 | H14 | 180.0° | 179.8° |
| C27 | C23 | C22 | H8 | 40.1° | 48.5° |
| C27 | C23 | C22 | H9 | 80.2° | 71.4° |
| C23 | C27 | C28 | H15 | 179.8° | 179.9° |
| C29 | C28 | C27 | H15 | 180.0° | 180.0° |
| C29 | C28 | C27 | H14 | 179.8° | 180.0° |
| C28 | C29 | C30 | H17 | 179.9° | 179.9° |
| C27 | C28 | C29 | H16 | 179.9° | 179.7° |
| H6 | C18 | C19 | H7 | 0.3° | 0.1° |
| H10 | C25 | C26 | H12 | 89.7° | 167.5° |
| H10 | C25 | C26 | H13 | 29.0° | 46.7° |
| H11 | C25 | C26 | H12 | 29.2° | 48.1° |
| H11 | C25 | C26 | H13 | 147.8° | 72.7° |
| H14 | C27 | C28 | H15 | 0.2° | 0.0° |
| H15 | C28 | C29 | H16 | 0.1° | 0.3° |
| H16 | C29 | C30 | H17 | 0.1° | 0.1° |
